============================
I qbox 1.56.2 I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I http://eslab.ucdavis.edu I
============================
1.56.2 bgq-anl
CNK
Q0H-I7-J00.mira.i2b
2013-11-11T07:17:56Z
Task 0 of 4096 (0,0,0,0,0,0) R0F-M0-N08-J04
Task 1 of 4096 (0,0,0,0,0,1) R0F-M0-N08-J04
Task 2 of 4096 (0,0,0,0,0,2) R0F-M0-N08-J04
Task 3 of 4096 (0,0,0,0,0,3) R0F-M0-N08-J04
Task 4 of 4096 (0,0,0,0,0,4) R0F-M0-N08-J04
Task 5 of 4096 (0,0,0,0,0,5) R0F-M0-N08-J04
Task 6 of 4096 (0,0,0,0,0,6) R0F-M0-N08-J04
Task 7 of 4096 (0,0,0,0,0,7) R0F-M0-N08-J04
Task 8 of 4096 (0,0,0,0,0,8) R0F-M0-N08-J04
Task 9 of 4096 (0,0,0,0,0,9) R0F-M0-N08-J04
Task 10 of 4096 (0,0,0,0,0,10) R0F-M0-N08-J04
Task 11 of 4096 (0,0,0,0,0,11) R0F-M0-N08-J04
Task 12 of 4096 (0,0,0,0,0,12) R0F-M0-N08-J04
Task 13 of 4096 (0,0,0,0,0,13) R0F-M0-N08-J04
Task 14 of 4096 (0,0,0,0,0,14) R0F-M0-N08-J04
Task 15 of 4096 (0,0,0,0,0,15) R0F-M0-N08-J04
Task 16 of 4096 (0,0,0,0,1,0) R0F-M0-N08-J03
Task 17 of 4096 (0,0,0,0,1,1) R0F-M0-N08-J03
Task 18 of 4096 (0,0,0,0,1,2) R0F-M0-N08-J03
Task 19 of 4096 (0,0,0,0,1,3) R0F-M0-N08-J03
Task 20 of 4096 (0,0,0,0,1,4) R0F-M0-N08-J03
Task 21 of 4096 (0,0,0,0,1,5) R0F-M0-N08-J03
Task 22 of 4096 (0,0,0,0,1,6) R0F-M0-N08-J03
Task 23 of 4096 (0,0,0,0,1,7) R0F-M0-N08-J03
Task 24 of 4096 (0,0,0,0,1,8) R0F-M0-N08-J03
Task 25 of 4096 (0,0,0,0,1,9) R0F-M0-N08-J03
Task 26 of 4096 (0,0,0,0,1,10) R0F-M0-N08-J03
Task 27 of 4096 (0,0,0,0,1,11) R0F-M0-N08-J03
Task 28 of 4096 (0,0,0,0,1,12) R0F-M0-N08-J03
Task 29 of 4096 (0,0,0,0,1,13) R0F-M0-N08-J03
Task 30 of 4096 (0,0,0,0,1,14) R0F-M0-N08-J03
Task 31 of 4096 (0,0,0,0,1,15) R0F-M0-N08-J03
Task 32 of 4096 (0,0,0,1,0,0) R0F-M0-N08-J08
Task 33 of 4096 (0,0,0,1,0,1) R0F-M0-N08-J08
Task 34 of 4096 (0,0,0,1,0,2) R0F-M0-N08-J08
Task 35 of 4096 (0,0,0,1,0,3) R0F-M0-N08-J08
Task 36 of 4096 (0,0,0,1,0,4) R0F-M0-N08-J08
Task 37 of 4096 (0,0,0,1,0,5) R0F-M0-N08-J08
Task 38 of 4096 (0,0,0,1,0,6) R0F-M0-N08-J08
Task 39 of 4096 (0,0,0,1,0,7) R0F-M0-N08-J08
Task 40 of 4096 (0,0,0,1,0,8) R0F-M0-N08-J08
Task 41 of 4096 (0,0,0,1,0,9) R0F-M0-N08-J08
Task 42 of 4096 (0,0,0,1,0,10) R0F-M0-N08-J08
Task 43 of 4096 (0,0,0,1,0,11) R0F-M0-N08-J08
Task 44 of 4096 (0,0,0,1,0,12) R0F-M0-N08-J08
Task 45 of 4096 (0,0,0,1,0,13) R0F-M0-N08-J08
Task 46 of 4096 (0,0,0,1,0,14) R0F-M0-N08-J08
Task 47 of 4096 (0,0,0,1,0,15) R0F-M0-N08-J08
Task 48 of 4096 (0,0,0,1,1,0) R0F-M0-N08-J15
Task 49 of 4096 (0,0,0,1,1,1) R0F-M0-N08-J15
Task 50 of 4096 (0,0,0,1,1,2) R0F-M0-N08-J15
Task 51 of 4096 (0,0,0,1,1,3) R0F-M0-N08-J15
Task 52 of 4096 (0,0,0,1,1,4) R0F-M0-N08-J15
Task 53 of 4096 (0,0,0,1,1,5) R0F-M0-N08-J15
Task 54 of 4096 (0,0,0,1,1,6) R0F-M0-N08-J15
Task 55 of 4096 (0,0,0,1,1,7) R0F-M0-N08-J15
Task 56 of 4096 (0,0,0,1,1,8) R0F-M0-N08-J15
Task 57 of 4096 (0,0,0,1,1,9) R0F-M0-N08-J15
Task 58 of 4096 (0,0,0,1,1,10) R0F-M0-N08-J15
Task 59 of 4096 (0,0,0,1,1,11) R0F-M0-N08-J15
Task 60 of 4096 (0,0,0,1,1,12) R0F-M0-N08-J15
Task 61 of 4096 (0,0,0,1,1,13) R0F-M0-N08-J15
Task 62 of 4096 (0,0,0,1,1,14) R0F-M0-N08-J15
Task 63 of 4096 (0,0,0,1,1,15) R0F-M0-N08-J15
Task 64 of 4096 (0,0,0,2,0,0) R0F-M0-N10-J08
Task 65 of 4096 (0,0,0,2,0,1) R0F-M0-N10-J08
Task 66 of 4096 (0,0,0,2,0,2) R0F-M0-N10-J08
Task 67 of 4096 (0,0,0,2,0,3) R0F-M0-N10-J08
Task 68 of 4096 (0,0,0,2,0,4) R0F-M0-N10-J08
Task 69 of 4096 (0,0,0,2,0,5) R0F-M0-N10-J08
Task 70 of 4096 (0,0,0,2,0,6) R0F-M0-N10-J08
Task 71 of 4096 (0,0,0,2,0,7) R0F-M0-N10-J08
Task 72 of 4096 (0,0,0,2,0,8) R0F-M0-N10-J08
Task 73 of 4096 (0,0,0,2,0,9) R0F-M0-N10-J08
Task 74 of 4096 (0,0,0,2,0,10) R0F-M0-N10-J08
Task 75 of 4096 (0,0,0,2,0,11) R0F-M0-N10-J08
Task 76 of 4096 (0,0,0,2,0,12) R0F-M0-N10-J08
Task 77 of 4096 (0,0,0,2,0,13) R0F-M0-N10-J08
Task 78 of 4096 (0,0,0,2,0,14) R0F-M0-N10-J08
Task 79 of 4096 (0,0,0,2,0,15) R0F-M0-N10-J08
Task 80 of 4096 (0,0,0,2,1,0) R0F-M0-N10-J15
Task 81 of 4096 (0,0,0,2,1,1) R0F-M0-N10-J15
Task 82 of 4096 (0,0,0,2,1,2) R0F-M0-N10-J15
Task 83 of 4096 (0,0,0,2,1,3) R0F-M0-N10-J15
Task 84 of 4096 (0,0,0,2,1,4) R0F-M0-N10-J15
Task 85 of 4096 (0,0,0,2,1,5) R0F-M0-N10-J15
Task 86 of 4096 (0,0,0,2,1,6) R0F-M0-N10-J15
Task 87 of 4096 (0,0,0,2,1,7) R0F-M0-N10-J15
Task 88 of 4096 (0,0,0,2,1,8) R0F-M0-N10-J15
Task 89 of 4096 (0,0,0,2,1,9) R0F-M0-N10-J15
Task 90 of 4096 (0,0,0,2,1,10) R0F-M0-N10-J15
Task 91 of 4096 (0,0,0,2,1,11) R0F-M0-N10-J15
Task 92 of 4096 (0,0,0,2,1,12) R0F-M0-N10-J15
Task 93 of 4096 (0,0,0,2,1,13) R0F-M0-N10-J15
Task 94 of 4096 (0,0,0,2,1,14) R0F-M0-N10-J15
Task 95 of 4096 (0,0,0,2,1,15) R0F-M0-N10-J15
Task 96 of 4096 (0,0,0,3,0,0) R0F-M0-N10-J04
Task 97 of 4096 (0,0,0,3,0,1) R0F-M0-N10-J04
Task 98 of 4096 (0,0,0,3,0,2) R0F-M0-N10-J04
Task 99 of 4096 (0,0,0,3,0,3) R0F-M0-N10-J04
Task 100 of 4096 (0,0,0,3,0,4) R0F-M0-N10-J04
Task 101 of 4096 (0,0,0,3,0,5) R0F-M0-N10-J04
Task 102 of 4096 (0,0,0,3,0,6) R0F-M0-N10-J04
Task 103 of 4096 (0,0,0,3,0,7) R0F-M0-N10-J04
Task 104 of 4096 (0,0,0,3,0,8) R0F-M0-N10-J04
Task 105 of 4096 (0,0,0,3,0,9) R0F-M0-N10-J04
Task 106 of 4096 (0,0,0,3,0,10) R0F-M0-N10-J04
Task 107 of 4096 (0,0,0,3,0,11) R0F-M0-N10-J04
Task 108 of 4096 (0,0,0,3,0,12) R0F-M0-N10-J04
Task 109 of 4096 (0,0,0,3,0,13) R0F-M0-N10-J04
Task 110 of 4096 (0,0,0,3,0,14) R0F-M0-N10-J04
Task 111 of 4096 (0,0,0,3,0,15) R0F-M0-N10-J04
Task 112 of 4096 (0,0,0,3,1,0) R0F-M0-N10-J03
Task 113 of 4096 (0,0,0,3,1,1) R0F-M0-N10-J03
Task 114 of 4096 (0,0,0,3,1,2) R0F-M0-N10-J03
Task 115 of 4096 (0,0,0,3,1,3) R0F-M0-N10-J03
Task 116 of 4096 (0,0,0,3,1,4) R0F-M0-N10-J03
Task 117 of 4096 (0,0,0,3,1,5) R0F-M0-N10-J03
Task 118 of 4096 (0,0,0,3,1,6) R0F-M0-N10-J03
Task 119 of 4096 (0,0,0,3,1,7) R0F-M0-N10-J03
Task 120 of 4096 (0,0,0,3,1,8) R0F-M0-N10-J03
Task 121 of 4096 (0,0,0,3,1,9) R0F-M0-N10-J03
Task 122 of 4096 (0,0,0,3,1,10) R0F-M0-N10-J03
Task 123 of 4096 (0,0,0,3,1,11) R0F-M0-N10-J03
Task 124 of 4096 (0,0,0,3,1,12) R0F-M0-N10-J03
Task 125 of 4096 (0,0,0,3,1,13) R0F-M0-N10-J03
Task 126 of 4096 (0,0,0,3,1,14) R0F-M0-N10-J03
Task 127 of 4096 (0,0,0,3,1,15) R0F-M0-N10-J03
Task 128 of 4096 (0,0,1,0,0,0) R0F-M0-N08-J05
Task 129 of 4096 (0,0,1,0,0,1) R0F-M0-N08-J05
Task 130 of 4096 (0,0,1,0,0,2) R0F-M0-N08-J05
Task 131 of 4096 (0,0,1,0,0,3) R0F-M0-N08-J05
Task 132 of 4096 (0,0,1,0,0,4) R0F-M0-N08-J05
Task 133 of 4096 (0,0,1,0,0,5) R0F-M0-N08-J05
Task 134 of 4096 (0,0,1,0,0,6) R0F-M0-N08-J05
Task 135 of 4096 (0,0,1,0,0,7) R0F-M0-N08-J05
Task 136 of 4096 (0,0,1,0,0,8) R0F-M0-N08-J05
Task 137 of 4096 (0,0,1,0,0,9) R0F-M0-N08-J05
Task 138 of 4096 (0,0,1,0,0,10) R0F-M0-N08-J05
Task 139 of 4096 (0,0,1,0,0,11) R0F-M0-N08-J05
Task 140 of 4096 (0,0,1,0,0,12) R0F-M0-N08-J05
Task 141 of 4096 (0,0,1,0,0,13) R0F-M0-N08-J05
Task 142 of 4096 (0,0,1,0,0,14) R0F-M0-N08-J05
Task 143 of 4096 (0,0,1,0,0,15) R0F-M0-N08-J05
Task 144 of 4096 (0,0,1,0,1,0) R0F-M0-N08-J02
Task 145 of 4096 (0,0,1,0,1,1) R0F-M0-N08-J02
Task 146 of 4096 (0,0,1,0,1,2) R0F-M0-N08-J02
Task 147 of 4096 (0,0,1,0,1,3) R0F-M0-N08-J02
Task 148 of 4096 (0,0,1,0,1,4) R0F-M0-N08-J02
Task 149 of 4096 (0,0,1,0,1,5) R0F-M0-N08-J02
Task 150 of 4096 (0,0,1,0,1,6) R0F-M0-N08-J02
Task 151 of 4096 (0,0,1,0,1,7) R0F-M0-N08-J02
Task 152 of 4096 (0,0,1,0,1,8) R0F-M0-N08-J02
Task 153 of 4096 (0,0,1,0,1,9) R0F-M0-N08-J02
Task 154 of 4096 (0,0,1,0,1,10) R0F-M0-N08-J02
Task 155 of 4096 (0,0,1,0,1,11) R0F-M0-N08-J02
Task 156 of 4096 (0,0,1,0,1,12) R0F-M0-N08-J02
Task 157 of 4096 (0,0,1,0,1,13) R0F-M0-N08-J02
Task 158 of 4096 (0,0,1,0,1,14) R0F-M0-N08-J02
Task 159 of 4096 (0,0,1,0,1,15) R0F-M0-N08-J02
Task 160 of 4096 (0,0,1,1,0,0) R0F-M0-N08-J09
Task 161 of 4096 (0,0,1,1,0,1) R0F-M0-N08-J09
Task 162 of 4096 (0,0,1,1,0,2) R0F-M0-N08-J09
Task 163 of 4096 (0,0,1,1,0,3) R0F-M0-N08-J09
Task 164 of 4096 (0,0,1,1,0,4) R0F-M0-N08-J09
Task 165 of 4096 (0,0,1,1,0,5) R0F-M0-N08-J09
Task 166 of 4096 (0,0,1,1,0,6) R0F-M0-N08-J09
Task 167 of 4096 (0,0,1,1,0,7) R0F-M0-N08-J09
Task 168 of 4096 (0,0,1,1,0,8) R0F-M0-N08-J09
Task 169 of 4096 (0,0,1,1,0,9) R0F-M0-N08-J09
Task 170 of 4096 (0,0,1,1,0,10) R0F-M0-N08-J09
Task 171 of 4096 (0,0,1,1,0,11) R0F-M0-N08-J09
Task 172 of 4096 (0,0,1,1,0,12) R0F-M0-N08-J09
Task 173 of 4096 (0,0,1,1,0,13) R0F-M0-N08-J09
Task 174 of 4096 (0,0,1,1,0,14) R0F-M0-N08-J09
Task 175 of 4096 (0,0,1,1,0,15) R0F-M0-N08-J09
Task 176 of 4096 (0,0,1,1,1,0) R0F-M0-N08-J14
Task 177 of 4096 (0,0,1,1,1,1) R0F-M0-N08-J14
Task 178 of 4096 (0,0,1,1,1,2) R0F-M0-N08-J14
Task 179 of 4096 (0,0,1,1,1,3) R0F-M0-N08-J14
Task 180 of 4096 (0,0,1,1,1,4) R0F-M0-N08-J14
Task 181 of 4096 (0,0,1,1,1,5) R0F-M0-N08-J14
Task 182 of 4096 (0,0,1,1,1,6) R0F-M0-N08-J14
Task 183 of 4096 (0,0,1,1,1,7) R0F-M0-N08-J14
Task 184 of 4096 (0,0,1,1,1,8) R0F-M0-N08-J14
Task 185 of 4096 (0,0,1,1,1,9) R0F-M0-N08-J14
Task 186 of 4096 (0,0,1,1,1,10) R0F-M0-N08-J14
Task 187 of 4096 (0,0,1,1,1,11) R0F-M0-N08-J14
Task 188 of 4096 (0,0,1,1,1,12) R0F-M0-N08-J14
Task 189 of 4096 (0,0,1,1,1,13) R0F-M0-N08-J14
Task 190 of 4096 (0,0,1,1,1,14) R0F-M0-N08-J14
Task 191 of 4096 (0,0,1,1,1,15) R0F-M0-N08-J14
Task 192 of 4096 (0,0,1,2,0,0) R0F-M0-N10-J09
Task 193 of 4096 (0,0,1,2,0,1) R0F-M0-N10-J09
Task 194 of 4096 (0,0,1,2,0,2) R0F-M0-N10-J09
Task 195 of 4096 (0,0,1,2,0,3) R0F-M0-N10-J09
Task 196 of 4096 (0,0,1,2,0,4) R0F-M0-N10-J09
Task 197 of 4096 (0,0,1,2,0,5) R0F-M0-N10-J09
Task 198 of 4096 (0,0,1,2,0,6) R0F-M0-N10-J09
Task 199 of 4096 (0,0,1,2,0,7) R0F-M0-N10-J09
Task 200 of 4096 (0,0,1,2,0,8) R0F-M0-N10-J09
Task 201 of 4096 (0,0,1,2,0,9) R0F-M0-N10-J09
Task 202 of 4096 (0,0,1,2,0,10) R0F-M0-N10-J09
Task 203 of 4096 (0,0,1,2,0,11) R0F-M0-N10-J09
Task 204 of 4096 (0,0,1,2,0,12) R0F-M0-N10-J09
Task 205 of 4096 (0,0,1,2,0,13) R0F-M0-N10-J09
Task 206 of 4096 (0,0,1,2,0,14) R0F-M0-N10-J09
Task 207 of 4096 (0,0,1,2,0,15) R0F-M0-N10-J09
Task 208 of 4096 (0,0,1,2,1,0) R0F-M0-N10-J14
Task 209 of 4096 (0,0,1,2,1,1) R0F-M0-N10-J14
Task 210 of 4096 (0,0,1,2,1,2) R0F-M0-N10-J14
Task 211 of 4096 (0,0,1,2,1,3) R0F-M0-N10-J14
Task 212 of 4096 (0,0,1,2,1,4) R0F-M0-N10-J14
Task 213 of 4096 (0,0,1,2,1,5) R0F-M0-N10-J14
Task 214 of 4096 (0,0,1,2,1,6) R0F-M0-N10-J14
Task 215 of 4096 (0,0,1,2,1,7) R0F-M0-N10-J14
Task 216 of 4096 (0,0,1,2,1,8) R0F-M0-N10-J14
Task 217 of 4096 (0,0,1,2,1,9) R0F-M0-N10-J14
Task 218 of 4096 (0,0,1,2,1,10) R0F-M0-N10-J14
Task 219 of 4096 (0,0,1,2,1,11) R0F-M0-N10-J14
Task 220 of 4096 (0,0,1,2,1,12) R0F-M0-N10-J14
Task 221 of 4096 (0,0,1,2,1,13) R0F-M0-N10-J14
Task 222 of 4096 (0,0,1,2,1,14) R0F-M0-N10-J14
Task 223 of 4096 (0,0,1,2,1,15) R0F-M0-N10-J14
Task 224 of 4096 (0,0,1,3,0,0) R0F-M0-N10-J05
Task 225 of 4096 (0,0,1,3,0,1) R0F-M0-N10-J05
Task 226 of 4096 (0,0,1,3,0,2) R0F-M0-N10-J05
Task 227 of 4096 (0,0,1,3,0,3) R0F-M0-N10-J05
Task 228 of 4096 (0,0,1,3,0,4) R0F-M0-N10-J05
Task 229 of 4096 (0,0,1,3,0,5) R0F-M0-N10-J05
Task 230 of 4096 (0,0,1,3,0,6) R0F-M0-N10-J05
Task 231 of 4096 (0,0,1,3,0,7) R0F-M0-N10-J05
Task 232 of 4096 (0,0,1,3,0,8) R0F-M0-N10-J05
Task 233 of 4096 (0,0,1,3,0,9) R0F-M0-N10-J05
Task 234 of 4096 (0,0,1,3,0,10) R0F-M0-N10-J05
Task 235 of 4096 (0,0,1,3,0,11) R0F-M0-N10-J05
Task 236 of 4096 (0,0,1,3,0,12) R0F-M0-N10-J05
Task 237 of 4096 (0,0,1,3,0,13) R0F-M0-N10-J05
Task 238 of 4096 (0,0,1,3,0,14) R0F-M0-N10-J05
Task 239 of 4096 (0,0,1,3,0,15) R0F-M0-N10-J05
Task 240 of 4096 (0,0,1,3,1,0) R0F-M0-N10-J02
Task 241 of 4096 (0,0,1,3,1,1) R0F-M0-N10-J02
Task 242 of 4096 (0,0,1,3,1,2) R0F-M0-N10-J02
Task 243 of 4096 (0,0,1,3,1,3) R0F-M0-N10-J02
Task 244 of 4096 (0,0,1,3,1,4) R0F-M0-N10-J02
Task 245 of 4096 (0,0,1,3,1,5) R0F-M0-N10-J02
Task 246 of 4096 (0,0,1,3,1,6) R0F-M0-N10-J02
Task 247 of 4096 (0,0,1,3,1,7) R0F-M0-N10-J02
Task 248 of 4096 (0,0,1,3,1,8) R0F-M0-N10-J02
Task 249 of 4096 (0,0,1,3,1,9) R0F-M0-N10-J02
Task 250 of 4096 (0,0,1,3,1,10) R0F-M0-N10-J02
Task 251 of 4096 (0,0,1,3,1,11) R0F-M0-N10-J02
Task 252 of 4096 (0,0,1,3,1,12) R0F-M0-N10-J02
Task 253 of 4096 (0,0,1,3,1,13) R0F-M0-N10-J02
Task 254 of 4096 (0,0,1,3,1,14) R0F-M0-N10-J02
Task 255 of 4096 (0,0,1,3,1,15) R0F-M0-N10-J02
Task 256 of 4096 (0,0,2,0,0,0) R0F-M0-N09-J05
Task 257 of 4096 (0,0,2,0,0,1) R0F-M0-N09-J05
Task 258 of 4096 (0,0,2,0,0,2) R0F-M0-N09-J05
Task 259 of 4096 (0,0,2,0,0,3) R0F-M0-N09-J05
Task 260 of 4096 (0,0,2,0,0,4) R0F-M0-N09-J05
Task 261 of 4096 (0,0,2,0,0,5) R0F-M0-N09-J05
Task 262 of 4096 (0,0,2,0,0,6) R0F-M0-N09-J05
Task 263 of 4096 (0,0,2,0,0,7) R0F-M0-N09-J05
Task 264 of 4096 (0,0,2,0,0,8) R0F-M0-N09-J05
Task 265 of 4096 (0,0,2,0,0,9) R0F-M0-N09-J05
Task 266 of 4096 (0,0,2,0,0,10) R0F-M0-N09-J05
Task 267 of 4096 (0,0,2,0,0,11) R0F-M0-N09-J05
Task 268 of 4096 (0,0,2,0,0,12) R0F-M0-N09-J05
Task 269 of 4096 (0,0,2,0,0,13) R0F-M0-N09-J05
Task 270 of 4096 (0,0,2,0,0,14) R0F-M0-N09-J05
Task 271 of 4096 (0,0,2,0,0,15) R0F-M0-N09-J05
Task 272 of 4096 (0,0,2,0,1,0) R0F-M0-N09-J02
Task 273 of 4096 (0,0,2,0,1,1) R0F-M0-N09-J02
Task 274 of 4096 (0,0,2,0,1,2) R0F-M0-N09-J02
Task 275 of 4096 (0,0,2,0,1,3) R0F-M0-N09-J02
Task 276 of 4096 (0,0,2,0,1,4) R0F-M0-N09-J02
Task 277 of 4096 (0,0,2,0,1,5) R0F-M0-N09-J02
Task 278 of 4096 (0,0,2,0,1,6) R0F-M0-N09-J02
Task 279 of 4096 (0,0,2,0,1,7) R0F-M0-N09-J02
Task 280 of 4096 (0,0,2,0,1,8) R0F-M0-N09-J02
Task 281 of 4096 (0,0,2,0,1,9) R0F-M0-N09-J02
Task 282 of 4096 (0,0,2,0,1,10) R0F-M0-N09-J02
Task 283 of 4096 (0,0,2,0,1,11) R0F-M0-N09-J02
Task 284 of 4096 (0,0,2,0,1,12) R0F-M0-N09-J02
Task 285 of 4096 (0,0,2,0,1,13) R0F-M0-N09-J02
Task 286 of 4096 (0,0,2,0,1,14) R0F-M0-N09-J02
Task 287 of 4096 (0,0,2,0,1,15) R0F-M0-N09-J02
Task 288 of 4096 (0,0,2,1,0,0) R0F-M0-N09-J09
Task 289 of 4096 (0,0,2,1,0,1) R0F-M0-N09-J09
Task 290 of 4096 (0,0,2,1,0,2) R0F-M0-N09-J09
Task 291 of 4096 (0,0,2,1,0,3) R0F-M0-N09-J09
Task 292 of 4096 (0,0,2,1,0,4) R0F-M0-N09-J09
Task 293 of 4096 (0,0,2,1,0,5) R0F-M0-N09-J09
Task 294 of 4096 (0,0,2,1,0,6) R0F-M0-N09-J09
Task 295 of 4096 (0,0,2,1,0,7) R0F-M0-N09-J09
Task 296 of 4096 (0,0,2,1,0,8) R0F-M0-N09-J09
Task 297 of 4096 (0,0,2,1,0,9) R0F-M0-N09-J09
Task 298 of 4096 (0,0,2,1,0,10) R0F-M0-N09-J09
Task 299 of 4096 (0,0,2,1,0,11) R0F-M0-N09-J09
Task 300 of 4096 (0,0,2,1,0,12) R0F-M0-N09-J09
Task 301 of 4096 (0,0,2,1,0,13) R0F-M0-N09-J09
Task 302 of 4096 (0,0,2,1,0,14) R0F-M0-N09-J09
Task 303 of 4096 (0,0,2,1,0,15) R0F-M0-N09-J09
Task 304 of 4096 (0,0,2,1,1,0) R0F-M0-N09-J14
Task 305 of 4096 (0,0,2,1,1,1) R0F-M0-N09-J14
Task 306 of 4096 (0,0,2,1,1,2) R0F-M0-N09-J14
Task 307 of 4096 (0,0,2,1,1,3) R0F-M0-N09-J14
Task 308 of 4096 (0,0,2,1,1,4) R0F-M0-N09-J14
Task 309 of 4096 (0,0,2,1,1,5) R0F-M0-N09-J14
Task 310 of 4096 (0,0,2,1,1,6) R0F-M0-N09-J14
Task 311 of 4096 (0,0,2,1,1,7) R0F-M0-N09-J14
Task 312 of 4096 (0,0,2,1,1,8) R0F-M0-N09-J14
Task 313 of 4096 (0,0,2,1,1,9) R0F-M0-N09-J14
Task 314 of 4096 (0,0,2,1,1,10) R0F-M0-N09-J14
Task 315 of 4096 (0,0,2,1,1,11) R0F-M0-N09-J14
Task 316 of 4096 (0,0,2,1,1,12) R0F-M0-N09-J14
Task 317 of 4096 (0,0,2,1,1,13) R0F-M0-N09-J14
Task 318 of 4096 (0,0,2,1,1,14) R0F-M0-N09-J14
Task 319 of 4096 (0,0,2,1,1,15) R0F-M0-N09-J14
Task 320 of 4096 (0,0,2,2,0,0) R0F-M0-N11-J09
Task 321 of 4096 (0,0,2,2,0,1) R0F-M0-N11-J09
Task 322 of 4096 (0,0,2,2,0,2) R0F-M0-N11-J09
Task 323 of 4096 (0,0,2,2,0,3) R0F-M0-N11-J09
Task 324 of 4096 (0,0,2,2,0,4) R0F-M0-N11-J09
Task 325 of 4096 (0,0,2,2,0,5) R0F-M0-N11-J09
Task 326 of 4096 (0,0,2,2,0,6) R0F-M0-N11-J09
Task 327 of 4096 (0,0,2,2,0,7) R0F-M0-N11-J09
Task 328 of 4096 (0,0,2,2,0,8) R0F-M0-N11-J09
Task 329 of 4096 (0,0,2,2,0,9) R0F-M0-N11-J09
Task 330 of 4096 (0,0,2,2,0,10) R0F-M0-N11-J09
Task 331 of 4096 (0,0,2,2,0,11) R0F-M0-N11-J09
Task 332 of 4096 (0,0,2,2,0,12) R0F-M0-N11-J09
Task 333 of 4096 (0,0,2,2,0,13) R0F-M0-N11-J09
Task 334 of 4096 (0,0,2,2,0,14) R0F-M0-N11-J09
Task 335 of 4096 (0,0,2,2,0,15) R0F-M0-N11-J09
Task 336 of 4096 (0,0,2,2,1,0) R0F-M0-N11-J14
Task 337 of 4096 (0,0,2,2,1,1) R0F-M0-N11-J14
Task 338 of 4096 (0,0,2,2,1,2) R0F-M0-N11-J14
Task 339 of 4096 (0,0,2,2,1,3) R0F-M0-N11-J14
Task 340 of 4096 (0,0,2,2,1,4) R0F-M0-N11-J14
Task 341 of 4096 (0,0,2,2,1,5) R0F-M0-N11-J14
Task 342 of 4096 (0,0,2,2,1,6) R0F-M0-N11-J14
Task 343 of 4096 (0,0,2,2,1,7) R0F-M0-N11-J14
Task 344 of 4096 (0,0,2,2,1,8) R0F-M0-N11-J14
Task 345 of 4096 (0,0,2,2,1,9) R0F-M0-N11-J14
Task 346 of 4096 (0,0,2,2,1,10) R0F-M0-N11-J14
Task 347 of 4096 (0,0,2,2,1,11) R0F-M0-N11-J14
Task 348 of 4096 (0,0,2,2,1,12) R0F-M0-N11-J14
Task 349 of 4096 (0,0,2,2,1,13) R0F-M0-N11-J14
Task 350 of 4096 (0,0,2,2,1,14) R0F-M0-N11-J14
Task 351 of 4096 (0,0,2,2,1,15) R0F-M0-N11-J14
Task 352 of 4096 (0,0,2,3,0,0) R0F-M0-N11-J05
Task 353 of 4096 (0,0,2,3,0,1) R0F-M0-N11-J05
Task 354 of 4096 (0,0,2,3,0,2) R0F-M0-N11-J05
Task 355 of 4096 (0,0,2,3,0,3) R0F-M0-N11-J05
Task 356 of 4096 (0,0,2,3,0,4) R0F-M0-N11-J05
Task 357 of 4096 (0,0,2,3,0,5) R0F-M0-N11-J05
Task 358 of 4096 (0,0,2,3,0,6) R0F-M0-N11-J05
Task 359 of 4096 (0,0,2,3,0,7) R0F-M0-N11-J05
Task 360 of 4096 (0,0,2,3,0,8) R0F-M0-N11-J05
Task 361 of 4096 (0,0,2,3,0,9) R0F-M0-N11-J05
Task 362 of 4096 (0,0,2,3,0,10) R0F-M0-N11-J05
Task 363 of 4096 (0,0,2,3,0,11) R0F-M0-N11-J05
Task 364 of 4096 (0,0,2,3,0,12) R0F-M0-N11-J05
Task 365 of 4096 (0,0,2,3,0,13) R0F-M0-N11-J05
Task 366 of 4096 (0,0,2,3,0,14) R0F-M0-N11-J05
Task 367 of 4096 (0,0,2,3,0,15) R0F-M0-N11-J05
Task 368 of 4096 (0,0,2,3,1,0) R0F-M0-N11-J02
Task 369 of 4096 (0,0,2,3,1,1) R0F-M0-N11-J02
Task 370 of 4096 (0,0,2,3,1,2) R0F-M0-N11-J02
Task 371 of 4096 (0,0,2,3,1,3) R0F-M0-N11-J02
Task 372 of 4096 (0,0,2,3,1,4) R0F-M0-N11-J02
Task 373 of 4096 (0,0,2,3,1,5) R0F-M0-N11-J02
Task 374 of 4096 (0,0,2,3,1,6) R0F-M0-N11-J02
Task 375 of 4096 (0,0,2,3,1,7) R0F-M0-N11-J02
Task 376 of 4096 (0,0,2,3,1,8) R0F-M0-N11-J02
Task 377 of 4096 (0,0,2,3,1,9) R0F-M0-N11-J02
Task 378 of 4096 (0,0,2,3,1,10) R0F-M0-N11-J02
Task 379 of 4096 (0,0,2,3,1,11) R0F-M0-N11-J02
Task 380 of 4096 (0,0,2,3,1,12) R0F-M0-N11-J02
Task 381 of 4096 (0,0,2,3,1,13) R0F-M0-N11-J02
Task 382 of 4096 (0,0,2,3,1,14) R0F-M0-N11-J02
Task 383 of 4096 (0,0,2,3,1,15) R0F-M0-N11-J02
Task 384 of 4096 (0,0,3,0,0,0) R0F-M0-N09-J04
Task 385 of 4096 (0,0,3,0,0,1) R0F-M0-N09-J04
Task 386 of 4096 (0,0,3,0,0,2) R0F-M0-N09-J04
Task 387 of 4096 (0,0,3,0,0,3) R0F-M0-N09-J04
Task 388 of 4096 (0,0,3,0,0,4) R0F-M0-N09-J04
Task 389 of 4096 (0,0,3,0,0,5) R0F-M0-N09-J04
Task 390 of 4096 (0,0,3,0,0,6) R0F-M0-N09-J04
Task 391 of 4096 (0,0,3,0,0,7) R0F-M0-N09-J04
Task 392 of 4096 (0,0,3,0,0,8) R0F-M0-N09-J04
Task 393 of 4096 (0,0,3,0,0,9) R0F-M0-N09-J04
Task 394 of 4096 (0,0,3,0,0,10) R0F-M0-N09-J04
Task 395 of 4096 (0,0,3,0,0,11) R0F-M0-N09-J04
Task 396 of 4096 (0,0,3,0,0,12) R0F-M0-N09-J04
Task 397 of 4096 (0,0,3,0,0,13) R0F-M0-N09-J04
Task 398 of 4096 (0,0,3,0,0,14) R0F-M0-N09-J04
Task 399 of 4096 (0,0,3,0,0,15) R0F-M0-N09-J04
Task 400 of 4096 (0,0,3,0,1,0) R0F-M0-N09-J03
Task 401 of 4096 (0,0,3,0,1,1) R0F-M0-N09-J03
Task 402 of 4096 (0,0,3,0,1,2) R0F-M0-N09-J03
Task 403 of 4096 (0,0,3,0,1,3) R0F-M0-N09-J03
Task 404 of 4096 (0,0,3,0,1,4) R0F-M0-N09-J03
Task 405 of 4096 (0,0,3,0,1,5) R0F-M0-N09-J03
Task 406 of 4096 (0,0,3,0,1,6) R0F-M0-N09-J03
Task 407 of 4096 (0,0,3,0,1,7) R0F-M0-N09-J03
Task 408 of 4096 (0,0,3,0,1,8) R0F-M0-N09-J03
Task 409 of 4096 (0,0,3,0,1,9) R0F-M0-N09-J03
Task 410 of 4096 (0,0,3,0,1,10) R0F-M0-N09-J03
Task 411 of 4096 (0,0,3,0,1,11) R0F-M0-N09-J03
Task 412 of 4096 (0,0,3,0,1,12) R0F-M0-N09-J03
Task 413 of 4096 (0,0,3,0,1,13) R0F-M0-N09-J03
Task 414 of 4096 (0,0,3,0,1,14) R0F-M0-N09-J03
Task 415 of 4096 (0,0,3,0,1,15) R0F-M0-N09-J03
Task 416 of 4096 (0,0,3,1,0,0) R0F-M0-N09-J08
Task 417 of 4096 (0,0,3,1,0,1) R0F-M0-N09-J08
Task 418 of 4096 (0,0,3,1,0,2) R0F-M0-N09-J08
Task 419 of 4096 (0,0,3,1,0,3) R0F-M0-N09-J08
Task 420 of 4096 (0,0,3,1,0,4) R0F-M0-N09-J08
Task 421 of 4096 (0,0,3,1,0,5) R0F-M0-N09-J08
Task 422 of 4096 (0,0,3,1,0,6) R0F-M0-N09-J08
Task 423 of 4096 (0,0,3,1,0,7) R0F-M0-N09-J08
Task 424 of 4096 (0,0,3,1,0,8) R0F-M0-N09-J08
Task 425 of 4096 (0,0,3,1,0,9) R0F-M0-N09-J08
Task 426 of 4096 (0,0,3,1,0,10) R0F-M0-N09-J08
Task 427 of 4096 (0,0,3,1,0,11) R0F-M0-N09-J08
Task 428 of 4096 (0,0,3,1,0,12) R0F-M0-N09-J08
Task 429 of 4096 (0,0,3,1,0,13) R0F-M0-N09-J08
Task 430 of 4096 (0,0,3,1,0,14) R0F-M0-N09-J08
Task 431 of 4096 (0,0,3,1,0,15) R0F-M0-N09-J08
Task 432 of 4096 (0,0,3,1,1,0) R0F-M0-N09-J15
Task 433 of 4096 (0,0,3,1,1,1) R0F-M0-N09-J15
Task 434 of 4096 (0,0,3,1,1,2) R0F-M0-N09-J15
Task 435 of 4096 (0,0,3,1,1,3) R0F-M0-N09-J15
Task 436 of 4096 (0,0,3,1,1,4) R0F-M0-N09-J15
Task 437 of 4096 (0,0,3,1,1,5) R0F-M0-N09-J15
Task 438 of 4096 (0,0,3,1,1,6) R0F-M0-N09-J15
Task 439 of 4096 (0,0,3,1,1,7) R0F-M0-N09-J15
Task 440 of 4096 (0,0,3,1,1,8) R0F-M0-N09-J15
Task 441 of 4096 (0,0,3,1,1,9) R0F-M0-N09-J15
Task 442 of 4096 (0,0,3,1,1,10) R0F-M0-N09-J15
Task 443 of 4096 (0,0,3,1,1,11) R0F-M0-N09-J15
Task 444 of 4096 (0,0,3,1,1,12) R0F-M0-N09-J15
Task 445 of 4096 (0,0,3,1,1,13) R0F-M0-N09-J15
Task 446 of 4096 (0,0,3,1,1,14) R0F-M0-N09-J15
Task 447 of 4096 (0,0,3,1,1,15) R0F-M0-N09-J15
Task 448 of 4096 (0,0,3,2,0,0) R0F-M0-N11-J08
Task 449 of 4096 (0,0,3,2,0,1) R0F-M0-N11-J08
Task 450 of 4096 (0,0,3,2,0,2) R0F-M0-N11-J08
Task 451 of 4096 (0,0,3,2,0,3) R0F-M0-N11-J08
Task 452 of 4096 (0,0,3,2,0,4) R0F-M0-N11-J08
Task 453 of 4096 (0,0,3,2,0,5) R0F-M0-N11-J08
Task 454 of 4096 (0,0,3,2,0,6) R0F-M0-N11-J08
Task 455 of 4096 (0,0,3,2,0,7) R0F-M0-N11-J08
Task 456 of 4096 (0,0,3,2,0,8) R0F-M0-N11-J08
Task 457 of 4096 (0,0,3,2,0,9) R0F-M0-N11-J08
Task 458 of 4096 (0,0,3,2,0,10) R0F-M0-N11-J08
Task 459 of 4096 (0,0,3,2,0,11) R0F-M0-N11-J08
Task 460 of 4096 (0,0,3,2,0,12) R0F-M0-N11-J08
Task 461 of 4096 (0,0,3,2,0,13) R0F-M0-N11-J08
Task 462 of 4096 (0,0,3,2,0,14) R0F-M0-N11-J08
Task 463 of 4096 (0,0,3,2,0,15) R0F-M0-N11-J08
Task 464 of 4096 (0,0,3,2,1,0) R0F-M0-N11-J15
Task 465 of 4096 (0,0,3,2,1,1) R0F-M0-N11-J15
Task 466 of 4096 (0,0,3,2,1,2) R0F-M0-N11-J15
Task 467 of 4096 (0,0,3,2,1,3) R0F-M0-N11-J15
Task 468 of 4096 (0,0,3,2,1,4) R0F-M0-N11-J15
Task 469 of 4096 (0,0,3,2,1,5) R0F-M0-N11-J15
Task 470 of 4096 (0,0,3,2,1,6) R0F-M0-N11-J15
Task 471 of 4096 (0,0,3,2,1,7) R0F-M0-N11-J15
Task 472 of 4096 (0,0,3,2,1,8) R0F-M0-N11-J15
Task 473 of 4096 (0,0,3,2,1,9) R0F-M0-N11-J15
Task 474 of 4096 (0,0,3,2,1,10) R0F-M0-N11-J15
Task 475 of 4096 (0,0,3,2,1,11) R0F-M0-N11-J15
Task 476 of 4096 (0,0,3,2,1,12) R0F-M0-N11-J15
Task 477 of 4096 (0,0,3,2,1,13) R0F-M0-N11-J15
Task 478 of 4096 (0,0,3,2,1,14) R0F-M0-N11-J15
Task 479 of 4096 (0,0,3,2,1,15) R0F-M0-N11-J15
Task 480 of 4096 (0,0,3,3,0,0) R0F-M0-N11-J04
Task 481 of 4096 (0,0,3,3,0,1) R0F-M0-N11-J04
Task 482 of 4096 (0,0,3,3,0,2) R0F-M0-N11-J04
Task 483 of 4096 (0,0,3,3,0,3) R0F-M0-N11-J04
Task 484 of 4096 (0,0,3,3,0,4) R0F-M0-N11-J04
Task 485 of 4096 (0,0,3,3,0,5) R0F-M0-N11-J04
Task 486 of 4096 (0,0,3,3,0,6) R0F-M0-N11-J04
Task 487 of 4096 (0,0,3,3,0,7) R0F-M0-N11-J04
Task 488 of 4096 (0,0,3,3,0,8) R0F-M0-N11-J04
Task 489 of 4096 (0,0,3,3,0,9) R0F-M0-N11-J04
Task 490 of 4096 (0,0,3,3,0,10) R0F-M0-N11-J04
Task 491 of 4096 (0,0,3,3,0,11) R0F-M0-N11-J04
Task 492 of 4096 (0,0,3,3,0,12) R0F-M0-N11-J04
Task 493 of 4096 (0,0,3,3,0,13) R0F-M0-N11-J04
Task 494 of 4096 (0,0,3,3,0,14) R0F-M0-N11-J04
Task 495 of 4096 (0,0,3,3,0,15) R0F-M0-N11-J04
Task 496 of 4096 (0,0,3,3,1,0) R0F-M0-N11-J03
Task 497 of 4096 (0,0,3,3,1,1) R0F-M0-N11-J03
Task 498 of 4096 (0,0,3,3,1,2) R0F-M0-N11-J03
Task 499 of 4096 (0,0,3,3,1,3) R0F-M0-N11-J03
Task 500 of 4096 (0,0,3,3,1,4) R0F-M0-N11-J03
Task 501 of 4096 (0,0,3,3,1,5) R0F-M0-N11-J03
Task 502 of 4096 (0,0,3,3,1,6) R0F-M0-N11-J03
Task 503 of 4096 (0,0,3,3,1,7) R0F-M0-N11-J03
Task 504 of 4096 (0,0,3,3,1,8) R0F-M0-N11-J03
Task 505 of 4096 (0,0,3,3,1,9) R0F-M0-N11-J03
Task 506 of 4096 (0,0,3,3,1,10) R0F-M0-N11-J03
Task 507 of 4096 (0,0,3,3,1,11) R0F-M0-N11-J03
Task 508 of 4096 (0,0,3,3,1,12) R0F-M0-N11-J03
Task 509 of 4096 (0,0,3,3,1,13) R0F-M0-N11-J03
Task 510 of 4096 (0,0,3,3,1,14) R0F-M0-N11-J03
Task 511 of 4096 (0,0,3,3,1,15) R0F-M0-N11-J03
Task 512 of 4096 (0,1,0,0,0,0) R0F-M0-N08-J07
Task 513 of 4096 (0,1,0,0,0,1) R0F-M0-N08-J07
Task 514 of 4096 (0,1,0,0,0,2) R0F-M0-N08-J07
Task 515 of 4096 (0,1,0,0,0,3) R0F-M0-N08-J07
Task 516 of 4096 (0,1,0,0,0,4) R0F-M0-N08-J07
Task 517 of 4096 (0,1,0,0,0,5) R0F-M0-N08-J07
Task 518 of 4096 (0,1,0,0,0,6) R0F-M0-N08-J07
Task 519 of 4096 (0,1,0,0,0,7) R0F-M0-N08-J07
Task 520 of 4096 (0,1,0,0,0,8) R0F-M0-N08-J07
Task 521 of 4096 (0,1,0,0,0,9) R0F-M0-N08-J07
Task 522 of 4096 (0,1,0,0,0,10) R0F-M0-N08-J07
Task 523 of 4096 (0,1,0,0,0,11) R0F-M0-N08-J07
Task 524 of 4096 (0,1,0,0,0,12) R0F-M0-N08-J07
Task 525 of 4096 (0,1,0,0,0,13) R0F-M0-N08-J07
Task 526 of 4096 (0,1,0,0,0,14) R0F-M0-N08-J07
Task 527 of 4096 (0,1,0,0,0,15) R0F-M0-N08-J07
Task 528 of 4096 (0,1,0,0,1,0) R0F-M0-N08-J00
Task 529 of 4096 (0,1,0,0,1,1) R0F-M0-N08-J00
Task 530 of 4096 (0,1,0,0,1,2) R0F-M0-N08-J00
Task 531 of 4096 (0,1,0,0,1,3) R0F-M0-N08-J00
Task 532 of 4096 (0,1,0,0,1,4) R0F-M0-N08-J00
Task 533 of 4096 (0,1,0,0,1,5) R0F-M0-N08-J00
Task 534 of 4096 (0,1,0,0,1,6) R0F-M0-N08-J00
Task 535 of 4096 (0,1,0,0,1,7) R0F-M0-N08-J00
Task 536 of 4096 (0,1,0,0,1,8) R0F-M0-N08-J00
Task 537 of 4096 (0,1,0,0,1,9) R0F-M0-N08-J00
Task 538 of 4096 (0,1,0,0,1,10) R0F-M0-N08-J00
Task 539 of 4096 (0,1,0,0,1,11) R0F-M0-N08-J00
Task 540 of 4096 (0,1,0,0,1,12) R0F-M0-N08-J00
Task 541 of 4096 (0,1,0,0,1,13) R0F-M0-N08-J00
Task 542 of 4096 (0,1,0,0,1,14) R0F-M0-N08-J00
Task 543 of 4096 (0,1,0,0,1,15) R0F-M0-N08-J00
Task 544 of 4096 (0,1,0,1,0,0) R0F-M0-N08-J11
Task 545 of 4096 (0,1,0,1,0,1) R0F-M0-N08-J11
Task 546 of 4096 (0,1,0,1,0,2) R0F-M0-N08-J11
Task 547 of 4096 (0,1,0,1,0,3) R0F-M0-N08-J11
Task 548 of 4096 (0,1,0,1,0,4) R0F-M0-N08-J11
Task 549 of 4096 (0,1,0,1,0,5) R0F-M0-N08-J11
Task 550 of 4096 (0,1,0,1,0,6) R0F-M0-N08-J11
Task 551 of 4096 (0,1,0,1,0,7) R0F-M0-N08-J11
Task 552 of 4096 (0,1,0,1,0,8) R0F-M0-N08-J11
Task 553 of 4096 (0,1,0,1,0,9) R0F-M0-N08-J11
Task 554 of 4096 (0,1,0,1,0,10) R0F-M0-N08-J11
Task 555 of 4096 (0,1,0,1,0,11) R0F-M0-N08-J11
Task 556 of 4096 (0,1,0,1,0,12) R0F-M0-N08-J11
Task 557 of 4096 (0,1,0,1,0,13) R0F-M0-N08-J11
Task 558 of 4096 (0,1,0,1,0,14) R0F-M0-N08-J11
Task 559 of 4096 (0,1,0,1,0,15) R0F-M0-N08-J11
Task 560 of 4096 (0,1,0,1,1,0) R0F-M0-N08-J12
Task 561 of 4096 (0,1,0,1,1,1) R0F-M0-N08-J12
Task 562 of 4096 (0,1,0,1,1,2) R0F-M0-N08-J12
Task 563 of 4096 (0,1,0,1,1,3) R0F-M0-N08-J12
Task 564 of 4096 (0,1,0,1,1,4) R0F-M0-N08-J12
Task 565 of 4096 (0,1,0,1,1,5) R0F-M0-N08-J12
Task 566 of 4096 (0,1,0,1,1,6) R0F-M0-N08-J12
Task 567 of 4096 (0,1,0,1,1,7) R0F-M0-N08-J12
Task 568 of 4096 (0,1,0,1,1,8) R0F-M0-N08-J12
Task 569 of 4096 (0,1,0,1,1,9) R0F-M0-N08-J12
Task 570 of 4096 (0,1,0,1,1,10) R0F-M0-N08-J12
Task 571 of 4096 (0,1,0,1,1,11) R0F-M0-N08-J12
Task 572 of 4096 (0,1,0,1,1,12) R0F-M0-N08-J12
Task 573 of 4096 (0,1,0,1,1,13) R0F-M0-N08-J12
Task 574 of 4096 (0,1,0,1,1,14) R0F-M0-N08-J12
Task 575 of 4096 (0,1,0,1,1,15) R0F-M0-N08-J12
Task 576 of 4096 (0,1,0,2,0,0) R0F-M0-N10-J11
Task 577 of 4096 (0,1,0,2,0,1) R0F-M0-N10-J11
Task 578 of 4096 (0,1,0,2,0,2) R0F-M0-N10-J11
Task 579 of 4096 (0,1,0,2,0,3) R0F-M0-N10-J11
Task 580 of 4096 (0,1,0,2,0,4) R0F-M0-N10-J11
Task 581 of 4096 (0,1,0,2,0,5) R0F-M0-N10-J11
Task 582 of 4096 (0,1,0,2,0,6) R0F-M0-N10-J11
Task 583 of 4096 (0,1,0,2,0,7) R0F-M0-N10-J11
Task 584 of 4096 (0,1,0,2,0,8) R0F-M0-N10-J11
Task 585 of 4096 (0,1,0,2,0,9) R0F-M0-N10-J11
Task 586 of 4096 (0,1,0,2,0,10) R0F-M0-N10-J11
Task 587 of 4096 (0,1,0,2,0,11) R0F-M0-N10-J11
Task 588 of 4096 (0,1,0,2,0,12) R0F-M0-N10-J11
Task 589 of 4096 (0,1,0,2,0,13) R0F-M0-N10-J11
Task 590 of 4096 (0,1,0,2,0,14) R0F-M0-N10-J11
Task 591 of 4096 (0,1,0,2,0,15) R0F-M0-N10-J11
Task 592 of 4096 (0,1,0,2,1,0) R0F-M0-N10-J12
Task 593 of 4096 (0,1,0,2,1,1) R0F-M0-N10-J12
Task 594 of 4096 (0,1,0,2,1,2) R0F-M0-N10-J12
Task 595 of 4096 (0,1,0,2,1,3) R0F-M0-N10-J12
Task 596 of 4096 (0,1,0,2,1,4) R0F-M0-N10-J12
Task 597 of 4096 (0,1,0,2,1,5) R0F-M0-N10-J12
Task 598 of 4096 (0,1,0,2,1,6) R0F-M0-N10-J12
Task 599 of 4096 (0,1,0,2,1,7) R0F-M0-N10-J12
Task 600 of 4096 (0,1,0,2,1,8) R0F-M0-N10-J12
Task 601 of 4096 (0,1,0,2,1,9) R0F-M0-N10-J12
Task 602 of 4096 (0,1,0,2,1,10) R0F-M0-N10-J12
Task 603 of 4096 (0,1,0,2,1,11) R0F-M0-N10-J12
Task 604 of 4096 (0,1,0,2,1,12) R0F-M0-N10-J12
Task 605 of 4096 (0,1,0,2,1,13) R0F-M0-N10-J12
Task 606 of 4096 (0,1,0,2,1,14) R0F-M0-N10-J12
Task 607 of 4096 (0,1,0,2,1,15) R0F-M0-N10-J12
Task 608 of 4096 (0,1,0,3,0,0) R0F-M0-N10-J07
Task 609 of 4096 (0,1,0,3,0,1) R0F-M0-N10-J07
Task 610 of 4096 (0,1,0,3,0,2) R0F-M0-N10-J07
Task 611 of 4096 (0,1,0,3,0,3) R0F-M0-N10-J07
Task 612 of 4096 (0,1,0,3,0,4) R0F-M0-N10-J07
Task 613 of 4096 (0,1,0,3,0,5) R0F-M0-N10-J07
Task 614 of 4096 (0,1,0,3,0,6) R0F-M0-N10-J07
Task 615 of 4096 (0,1,0,3,0,7) R0F-M0-N10-J07
Task 616 of 4096 (0,1,0,3,0,8) R0F-M0-N10-J07
Task 617 of 4096 (0,1,0,3,0,9) R0F-M0-N10-J07
Task 618 of 4096 (0,1,0,3,0,10) R0F-M0-N10-J07
Task 619 of 4096 (0,1,0,3,0,11) R0F-M0-N10-J07
Task 620 of 4096 (0,1,0,3,0,12) R0F-M0-N10-J07
Task 621 of 4096 (0,1,0,3,0,13) R0F-M0-N10-J07
Task 622 of 4096 (0,1,0,3,0,14) R0F-M0-N10-J07
Task 623 of 4096 (0,1,0,3,0,15) R0F-M0-N10-J07
Task 624 of 4096 (0,1,0,3,1,0) R0F-M0-N10-J00
Task 625 of 4096 (0,1,0,3,1,1) R0F-M0-N10-J00
Task 626 of 4096 (0,1,0,3,1,2) R0F-M0-N10-J00
Task 627 of 4096 (0,1,0,3,1,3) R0F-M0-N10-J00
Task 628 of 4096 (0,1,0,3,1,4) R0F-M0-N10-J00
Task 629 of 4096 (0,1,0,3,1,5) R0F-M0-N10-J00
Task 630 of 4096 (0,1,0,3,1,6) R0F-M0-N10-J00
Task 631 of 4096 (0,1,0,3,1,7) R0F-M0-N10-J00
Task 632 of 4096 (0,1,0,3,1,8) R0F-M0-N10-J00
Task 633 of 4096 (0,1,0,3,1,9) R0F-M0-N10-J00
Task 634 of 4096 (0,1,0,3,1,10) R0F-M0-N10-J00
Task 635 of 4096 (0,1,0,3,1,11) R0F-M0-N10-J00
Task 636 of 4096 (0,1,0,3,1,12) R0F-M0-N10-J00
Task 637 of 4096 (0,1,0,3,1,13) R0F-M0-N10-J00
Task 638 of 4096 (0,1,0,3,1,14) R0F-M0-N10-J00
Task 639 of 4096 (0,1,0,3,1,15) R0F-M0-N10-J00
Task 640 of 4096 (0,1,1,0,0,0) R0F-M0-N08-J06
Task 641 of 4096 (0,1,1,0,0,1) R0F-M0-N08-J06
Task 642 of 4096 (0,1,1,0,0,2) R0F-M0-N08-J06
Task 643 of 4096 (0,1,1,0,0,3) R0F-M0-N08-J06
Task 644 of 4096 (0,1,1,0,0,4) R0F-M0-N08-J06
Task 645 of 4096 (0,1,1,0,0,5) R0F-M0-N08-J06
Task 646 of 4096 (0,1,1,0,0,6) R0F-M0-N08-J06
Task 647 of 4096 (0,1,1,0,0,7) R0F-M0-N08-J06
Task 648 of 4096 (0,1,1,0,0,8) R0F-M0-N08-J06
Task 649 of 4096 (0,1,1,0,0,9) R0F-M0-N08-J06
Task 650 of 4096 (0,1,1,0,0,10) R0F-M0-N08-J06
Task 651 of 4096 (0,1,1,0,0,11) R0F-M0-N08-J06
Task 652 of 4096 (0,1,1,0,0,12) R0F-M0-N08-J06
Task 653 of 4096 (0,1,1,0,0,13) R0F-M0-N08-J06
Task 654 of 4096 (0,1,1,0,0,14) R0F-M0-N08-J06
Task 655 of 4096 (0,1,1,0,0,15) R0F-M0-N08-J06
Task 656 of 4096 (0,1,1,0,1,0) R0F-M0-N08-J01
Task 657 of 4096 (0,1,1,0,1,1) R0F-M0-N08-J01
Task 658 of 4096 (0,1,1,0,1,2) R0F-M0-N08-J01
Task 659 of 4096 (0,1,1,0,1,3) R0F-M0-N08-J01
Task 660 of 4096 (0,1,1,0,1,4) R0F-M0-N08-J01
Task 661 of 4096 (0,1,1,0,1,5) R0F-M0-N08-J01
Task 662 of 4096 (0,1,1,0,1,6) R0F-M0-N08-J01
Task 663 of 4096 (0,1,1,0,1,7) R0F-M0-N08-J01
Task 664 of 4096 (0,1,1,0,1,8) R0F-M0-N08-J01
Task 665 of 4096 (0,1,1,0,1,9) R0F-M0-N08-J01
Task 666 of 4096 (0,1,1,0,1,10) R0F-M0-N08-J01
Task 667 of 4096 (0,1,1,0,1,11) R0F-M0-N08-J01
Task 668 of 4096 (0,1,1,0,1,12) R0F-M0-N08-J01
Task 669 of 4096 (0,1,1,0,1,13) R0F-M0-N08-J01
Task 670 of 4096 (0,1,1,0,1,14) R0F-M0-N08-J01
Task 671 of 4096 (0,1,1,0,1,15) R0F-M0-N08-J01
Task 672 of 4096 (0,1,1,1,0,0) R0F-M0-N08-J10
Task 673 of 4096 (0,1,1,1,0,1) R0F-M0-N08-J10
Task 674 of 4096 (0,1,1,1,0,2) R0F-M0-N08-J10
Task 675 of 4096 (0,1,1,1,0,3) R0F-M0-N08-J10
Task 676 of 4096 (0,1,1,1,0,4) R0F-M0-N08-J10
Task 677 of 4096 (0,1,1,1,0,5) R0F-M0-N08-J10
Task 678 of 4096 (0,1,1,1,0,6) R0F-M0-N08-J10
Task 679 of 4096 (0,1,1,1,0,7) R0F-M0-N08-J10
Task 680 of 4096 (0,1,1,1,0,8) R0F-M0-N08-J10
Task 681 of 4096 (0,1,1,1,0,9) R0F-M0-N08-J10
Task 682 of 4096 (0,1,1,1,0,10) R0F-M0-N08-J10
Task 683 of 4096 (0,1,1,1,0,11) R0F-M0-N08-J10
Task 684 of 4096 (0,1,1,1,0,12) R0F-M0-N08-J10
Task 685 of 4096 (0,1,1,1,0,13) R0F-M0-N08-J10
Task 686 of 4096 (0,1,1,1,0,14) R0F-M0-N08-J10
Task 687 of 4096 (0,1,1,1,0,15) R0F-M0-N08-J10
Task 688 of 4096 (0,1,1,1,1,0) R0F-M0-N08-J13
Task 689 of 4096 (0,1,1,1,1,1) R0F-M0-N08-J13
Task 690 of 4096 (0,1,1,1,1,2) R0F-M0-N08-J13
Task 691 of 4096 (0,1,1,1,1,3) R0F-M0-N08-J13
Task 692 of 4096 (0,1,1,1,1,4) R0F-M0-N08-J13
Task 693 of 4096 (0,1,1,1,1,5) R0F-M0-N08-J13
Task 694 of 4096 (0,1,1,1,1,6) R0F-M0-N08-J13
Task 695 of 4096 (0,1,1,1,1,7) R0F-M0-N08-J13
Task 696 of 4096 (0,1,1,1,1,8) R0F-M0-N08-J13
Task 697 of 4096 (0,1,1,1,1,9) R0F-M0-N08-J13
Task 698 of 4096 (0,1,1,1,1,10) R0F-M0-N08-J13
Task 699 of 4096 (0,1,1,1,1,11) R0F-M0-N08-J13
Task 700 of 4096 (0,1,1,1,1,12) R0F-M0-N08-J13
Task 701 of 4096 (0,1,1,1,1,13) R0F-M0-N08-J13
Task 702 of 4096 (0,1,1,1,1,14) R0F-M0-N08-J13
Task 703 of 4096 (0,1,1,1,1,15) R0F-M0-N08-J13
Task 704 of 4096 (0,1,1,2,0,0) R0F-M0-N10-J10
Task 705 of 4096 (0,1,1,2,0,1) R0F-M0-N10-J10
Task 706 of 4096 (0,1,1,2,0,2) R0F-M0-N10-J10
Task 707 of 4096 (0,1,1,2,0,3) R0F-M0-N10-J10
Task 708 of 4096 (0,1,1,2,0,4) R0F-M0-N10-J10
Task 709 of 4096 (0,1,1,2,0,5) R0F-M0-N10-J10
Task 710 of 4096 (0,1,1,2,0,6) R0F-M0-N10-J10
Task 711 of 4096 (0,1,1,2,0,7) R0F-M0-N10-J10
Task 712 of 4096 (0,1,1,2,0,8) R0F-M0-N10-J10
Task 713 of 4096 (0,1,1,2,0,9) R0F-M0-N10-J10
Task 714 of 4096 (0,1,1,2,0,10) R0F-M0-N10-J10
Task 715 of 4096 (0,1,1,2,0,11) R0F-M0-N10-J10
Task 716 of 4096 (0,1,1,2,0,12) R0F-M0-N10-J10
Task 717 of 4096 (0,1,1,2,0,13) R0F-M0-N10-J10
Task 718 of 4096 (0,1,1,2,0,14) R0F-M0-N10-J10
Task 719 of 4096 (0,1,1,2,0,15) R0F-M0-N10-J10
Task 720 of 4096 (0,1,1,2,1,0) R0F-M0-N10-J13
Task 721 of 4096 (0,1,1,2,1,1) R0F-M0-N10-J13
Task 722 of 4096 (0,1,1,2,1,2) R0F-M0-N10-J13
Task 723 of 4096 (0,1,1,2,1,3) R0F-M0-N10-J13
Task 724 of 4096 (0,1,1,2,1,4) R0F-M0-N10-J13
Task 725 of 4096 (0,1,1,2,1,5) R0F-M0-N10-J13
Task 726 of 4096 (0,1,1,2,1,6) R0F-M0-N10-J13
Task 727 of 4096 (0,1,1,2,1,7) R0F-M0-N10-J13
Task 728 of 4096 (0,1,1,2,1,8) R0F-M0-N10-J13
Task 729 of 4096 (0,1,1,2,1,9) R0F-M0-N10-J13
Task 730 of 4096 (0,1,1,2,1,10) R0F-M0-N10-J13
Task 731 of 4096 (0,1,1,2,1,11) R0F-M0-N10-J13
Task 732 of 4096 (0,1,1,2,1,12) R0F-M0-N10-J13
Task 733 of 4096 (0,1,1,2,1,13) R0F-M0-N10-J13
Task 734 of 4096 (0,1,1,2,1,14) R0F-M0-N10-J13
Task 735 of 4096 (0,1,1,2,1,15) R0F-M0-N10-J13
Task 736 of 4096 (0,1,1,3,0,0) R0F-M0-N10-J06
Task 737 of 4096 (0,1,1,3,0,1) R0F-M0-N10-J06
Task 738 of 4096 (0,1,1,3,0,2) R0F-M0-N10-J06
Task 739 of 4096 (0,1,1,3,0,3) R0F-M0-N10-J06
Task 740 of 4096 (0,1,1,3,0,4) R0F-M0-N10-J06
Task 741 of 4096 (0,1,1,3,0,5) R0F-M0-N10-J06
Task 742 of 4096 (0,1,1,3,0,6) R0F-M0-N10-J06
Task 743 of 4096 (0,1,1,3,0,7) R0F-M0-N10-J06
Task 744 of 4096 (0,1,1,3,0,8) R0F-M0-N10-J06
Task 745 of 4096 (0,1,1,3,0,9) R0F-M0-N10-J06
Task 746 of 4096 (0,1,1,3,0,10) R0F-M0-N10-J06
Task 747 of 4096 (0,1,1,3,0,11) R0F-M0-N10-J06
Task 748 of 4096 (0,1,1,3,0,12) R0F-M0-N10-J06
Task 749 of 4096 (0,1,1,3,0,13) R0F-M0-N10-J06
Task 750 of 4096 (0,1,1,3,0,14) R0F-M0-N10-J06
Task 751 of 4096 (0,1,1,3,0,15) R0F-M0-N10-J06
Task 752 of 4096 (0,1,1,3,1,0) R0F-M0-N10-J01
Task 753 of 4096 (0,1,1,3,1,1) R0F-M0-N10-J01
Task 754 of 4096 (0,1,1,3,1,2) R0F-M0-N10-J01
Task 755 of 4096 (0,1,1,3,1,3) R0F-M0-N10-J01
Task 756 of 4096 (0,1,1,3,1,4) R0F-M0-N10-J01
Task 757 of 4096 (0,1,1,3,1,5) R0F-M0-N10-J01
Task 758 of 4096 (0,1,1,3,1,6) R0F-M0-N10-J01
Task 759 of 4096 (0,1,1,3,1,7) R0F-M0-N10-J01
Task 760 of 4096 (0,1,1,3,1,8) R0F-M0-N10-J01
Task 761 of 4096 (0,1,1,3,1,9) R0F-M0-N10-J01
Task 762 of 4096 (0,1,1,3,1,10) R0F-M0-N10-J01
Task 763 of 4096 (0,1,1,3,1,11) R0F-M0-N10-J01
Task 764 of 4096 (0,1,1,3,1,12) R0F-M0-N10-J01
Task 765 of 4096 (0,1,1,3,1,13) R0F-M0-N10-J01
Task 766 of 4096 (0,1,1,3,1,14) R0F-M0-N10-J01
Task 767 of 4096 (0,1,1,3,1,15) R0F-M0-N10-J01
Task 768 of 4096 (0,1,2,0,0,0) R0F-M0-N09-J06
Task 769 of 4096 (0,1,2,0,0,1) R0F-M0-N09-J06
Task 770 of 4096 (0,1,2,0,0,2) R0F-M0-N09-J06
Task 771 of 4096 (0,1,2,0,0,3) R0F-M0-N09-J06
Task 772 of 4096 (0,1,2,0,0,4) R0F-M0-N09-J06
Task 773 of 4096 (0,1,2,0,0,5) R0F-M0-N09-J06
Task 774 of 4096 (0,1,2,0,0,6) R0F-M0-N09-J06
Task 775 of 4096 (0,1,2,0,0,7) R0F-M0-N09-J06
Task 776 of 4096 (0,1,2,0,0,8) R0F-M0-N09-J06
Task 777 of 4096 (0,1,2,0,0,9) R0F-M0-N09-J06
Task 778 of 4096 (0,1,2,0,0,10) R0F-M0-N09-J06
Task 779 of 4096 (0,1,2,0,0,11) R0F-M0-N09-J06
Task 780 of 4096 (0,1,2,0,0,12) R0F-M0-N09-J06
Task 781 of 4096 (0,1,2,0,0,13) R0F-M0-N09-J06
Task 782 of 4096 (0,1,2,0,0,14) R0F-M0-N09-J06
Task 783 of 4096 (0,1,2,0,0,15) R0F-M0-N09-J06
Task 784 of 4096 (0,1,2,0,1,0) R0F-M0-N09-J01
Task 785 of 4096 (0,1,2,0,1,1) R0F-M0-N09-J01
Task 786 of 4096 (0,1,2,0,1,2) R0F-M0-N09-J01
Task 787 of 4096 (0,1,2,0,1,3) R0F-M0-N09-J01
Task 788 of 4096 (0,1,2,0,1,4) R0F-M0-N09-J01
Task 789 of 4096 (0,1,2,0,1,5) R0F-M0-N09-J01
Task 790 of 4096 (0,1,2,0,1,6) R0F-M0-N09-J01
Task 791 of 4096 (0,1,2,0,1,7) R0F-M0-N09-J01
Task 792 of 4096 (0,1,2,0,1,8) R0F-M0-N09-J01
Task 793 of 4096 (0,1,2,0,1,9) R0F-M0-N09-J01
Task 794 of 4096 (0,1,2,0,1,10) R0F-M0-N09-J01
Task 795 of 4096 (0,1,2,0,1,11) R0F-M0-N09-J01
Task 796 of 4096 (0,1,2,0,1,12) R0F-M0-N09-J01
Task 797 of 4096 (0,1,2,0,1,13) R0F-M0-N09-J01
Task 798 of 4096 (0,1,2,0,1,14) R0F-M0-N09-J01
Task 799 of 4096 (0,1,2,0,1,15) R0F-M0-N09-J01
Task 800 of 4096 (0,1,2,1,0,0) R0F-M0-N09-J10
Task 801 of 4096 (0,1,2,1,0,1) R0F-M0-N09-J10
Task 802 of 4096 (0,1,2,1,0,2) R0F-M0-N09-J10
Task 803 of 4096 (0,1,2,1,0,3) R0F-M0-N09-J10
Task 804 of 4096 (0,1,2,1,0,4) R0F-M0-N09-J10
Task 805 of 4096 (0,1,2,1,0,5) R0F-M0-N09-J10
Task 806 of 4096 (0,1,2,1,0,6) R0F-M0-N09-J10
Task 807 of 4096 (0,1,2,1,0,7) R0F-M0-N09-J10
Task 808 of 4096 (0,1,2,1,0,8) R0F-M0-N09-J10
Task 809 of 4096 (0,1,2,1,0,9) R0F-M0-N09-J10
Task 810 of 4096 (0,1,2,1,0,10) R0F-M0-N09-J10
Task 811 of 4096 (0,1,2,1,0,11) R0F-M0-N09-J10
Task 812 of 4096 (0,1,2,1,0,12) R0F-M0-N09-J10
Task 813 of 4096 (0,1,2,1,0,13) R0F-M0-N09-J10
Task 814 of 4096 (0,1,2,1,0,14) R0F-M0-N09-J10
Task 815 of 4096 (0,1,2,1,0,15) R0F-M0-N09-J10
Task 816 of 4096 (0,1,2,1,1,0) R0F-M0-N09-J13
Task 817 of 4096 (0,1,2,1,1,1) R0F-M0-N09-J13
Task 818 of 4096 (0,1,2,1,1,2) R0F-M0-N09-J13
Task 819 of 4096 (0,1,2,1,1,3) R0F-M0-N09-J13
Task 820 of 4096 (0,1,2,1,1,4) R0F-M0-N09-J13
Task 821 of 4096 (0,1,2,1,1,5) R0F-M0-N09-J13
Task 822 of 4096 (0,1,2,1,1,6) R0F-M0-N09-J13
Task 823 of 4096 (0,1,2,1,1,7) R0F-M0-N09-J13
Task 824 of 4096 (0,1,2,1,1,8) R0F-M0-N09-J13
Task 825 of 4096 (0,1,2,1,1,9) R0F-M0-N09-J13
Task 826 of 4096 (0,1,2,1,1,10) R0F-M0-N09-J13
Task 827 of 4096 (0,1,2,1,1,11) R0F-M0-N09-J13
Task 828 of 4096 (0,1,2,1,1,12) R0F-M0-N09-J13
Task 829 of 4096 (0,1,2,1,1,13) R0F-M0-N09-J13
Task 830 of 4096 (0,1,2,1,1,14) R0F-M0-N09-J13
Task 831 of 4096 (0,1,2,1,1,15) R0F-M0-N09-J13
Task 832 of 4096 (0,1,2,2,0,0) R0F-M0-N11-J10
Task 833 of 4096 (0,1,2,2,0,1) R0F-M0-N11-J10
Task 834 of 4096 (0,1,2,2,0,2) R0F-M0-N11-J10
Task 835 of 4096 (0,1,2,2,0,3) R0F-M0-N11-J10
Task 836 of 4096 (0,1,2,2,0,4) R0F-M0-N11-J10
Task 837 of 4096 (0,1,2,2,0,5) R0F-M0-N11-J10
Task 838 of 4096 (0,1,2,2,0,6) R0F-M0-N11-J10
Task 839 of 4096 (0,1,2,2,0,7) R0F-M0-N11-J10
Task 840 of 4096 (0,1,2,2,0,8) R0F-M0-N11-J10
Task 841 of 4096 (0,1,2,2,0,9) R0F-M0-N11-J10
Task 842 of 4096 (0,1,2,2,0,10) R0F-M0-N11-J10
Task 843 of 4096 (0,1,2,2,0,11) R0F-M0-N11-J10
Task 844 of 4096 (0,1,2,2,0,12) R0F-M0-N11-J10
Task 845 of 4096 (0,1,2,2,0,13) R0F-M0-N11-J10
Task 846 of 4096 (0,1,2,2,0,14) R0F-M0-N11-J10
Task 847 of 4096 (0,1,2,2,0,15) R0F-M0-N11-J10
Task 848 of 4096 (0,1,2,2,1,0) R0F-M0-N11-J13
Task 849 of 4096 (0,1,2,2,1,1) R0F-M0-N11-J13
Task 850 of 4096 (0,1,2,2,1,2) R0F-M0-N11-J13
Task 851 of 4096 (0,1,2,2,1,3) R0F-M0-N11-J13
Task 852 of 4096 (0,1,2,2,1,4) R0F-M0-N11-J13
Task 853 of 4096 (0,1,2,2,1,5) R0F-M0-N11-J13
Task 854 of 4096 (0,1,2,2,1,6) R0F-M0-N11-J13
Task 855 of 4096 (0,1,2,2,1,7) R0F-M0-N11-J13
Task 856 of 4096 (0,1,2,2,1,8) R0F-M0-N11-J13
Task 857 of 4096 (0,1,2,2,1,9) R0F-M0-N11-J13
Task 858 of 4096 (0,1,2,2,1,10) R0F-M0-N11-J13
Task 859 of 4096 (0,1,2,2,1,11) R0F-M0-N11-J13
Task 860 of 4096 (0,1,2,2,1,12) R0F-M0-N11-J13
Task 861 of 4096 (0,1,2,2,1,13) R0F-M0-N11-J13
Task 862 of 4096 (0,1,2,2,1,14) R0F-M0-N11-J13
Task 863 of 4096 (0,1,2,2,1,15) R0F-M0-N11-J13
Task 864 of 4096 (0,1,2,3,0,0) R0F-M0-N11-J06
Task 865 of 4096 (0,1,2,3,0,1) R0F-M0-N11-J06
Task 866 of 4096 (0,1,2,3,0,2) R0F-M0-N11-J06
Task 867 of 4096 (0,1,2,3,0,3) R0F-M0-N11-J06
Task 868 of 4096 (0,1,2,3,0,4) R0F-M0-N11-J06
Task 869 of 4096 (0,1,2,3,0,5) R0F-M0-N11-J06
Task 870 of 4096 (0,1,2,3,0,6) R0F-M0-N11-J06
Task 871 of 4096 (0,1,2,3,0,7) R0F-M0-N11-J06
Task 872 of 4096 (0,1,2,3,0,8) R0F-M0-N11-J06
Task 873 of 4096 (0,1,2,3,0,9) R0F-M0-N11-J06
Task 874 of 4096 (0,1,2,3,0,10) R0F-M0-N11-J06
Task 875 of 4096 (0,1,2,3,0,11) R0F-M0-N11-J06
Task 876 of 4096 (0,1,2,3,0,12) R0F-M0-N11-J06
Task 877 of 4096 (0,1,2,3,0,13) R0F-M0-N11-J06
Task 878 of 4096 (0,1,2,3,0,14) R0F-M0-N11-J06
Task 879 of 4096 (0,1,2,3,0,15) R0F-M0-N11-J06
Task 880 of 4096 (0,1,2,3,1,0) R0F-M0-N11-J01
Task 881 of 4096 (0,1,2,3,1,1) R0F-M0-N11-J01
Task 882 of 4096 (0,1,2,3,1,2) R0F-M0-N11-J01
Task 883 of 4096 (0,1,2,3,1,3) R0F-M0-N11-J01
Task 884 of 4096 (0,1,2,3,1,4) R0F-M0-N11-J01
Task 885 of 4096 (0,1,2,3,1,5) R0F-M0-N11-J01
Task 886 of 4096 (0,1,2,3,1,6) R0F-M0-N11-J01
Task 887 of 4096 (0,1,2,3,1,7) R0F-M0-N11-J01
Task 888 of 4096 (0,1,2,3,1,8) R0F-M0-N11-J01
Task 889 of 4096 (0,1,2,3,1,9) R0F-M0-N11-J01
Task 890 of 4096 (0,1,2,3,1,10) R0F-M0-N11-J01
Task 891 of 4096 (0,1,2,3,1,11) R0F-M0-N11-J01
Task 892 of 4096 (0,1,2,3,1,12) R0F-M0-N11-J01
Task 893 of 4096 (0,1,2,3,1,13) R0F-M0-N11-J01
Task 894 of 4096 (0,1,2,3,1,14) R0F-M0-N11-J01
Task 895 of 4096 (0,1,2,3,1,15) R0F-M0-N11-J01
Task 896 of 4096 (0,1,3,0,0,0) R0F-M0-N09-J07
Task 897 of 4096 (0,1,3,0,0,1) R0F-M0-N09-J07
Task 898 of 4096 (0,1,3,0,0,2) R0F-M0-N09-J07
Task 899 of 4096 (0,1,3,0,0,3) R0F-M0-N09-J07
Task 900 of 4096 (0,1,3,0,0,4) R0F-M0-N09-J07
Task 901 of 4096 (0,1,3,0,0,5) R0F-M0-N09-J07
Task 902 of 4096 (0,1,3,0,0,6) R0F-M0-N09-J07
Task 903 of 4096 (0,1,3,0,0,7) R0F-M0-N09-J07
Task 904 of 4096 (0,1,3,0,0,8) R0F-M0-N09-J07
Task 905 of 4096 (0,1,3,0,0,9) R0F-M0-N09-J07
Task 906 of 4096 (0,1,3,0,0,10) R0F-M0-N09-J07
Task 907 of 4096 (0,1,3,0,0,11) R0F-M0-N09-J07
Task 908 of 4096 (0,1,3,0,0,12) R0F-M0-N09-J07
Task 909 of 4096 (0,1,3,0,0,13) R0F-M0-N09-J07
Task 910 of 4096 (0,1,3,0,0,14) R0F-M0-N09-J07
Task 911 of 4096 (0,1,3,0,0,15) R0F-M0-N09-J07
Task 912 of 4096 (0,1,3,0,1,0) R0F-M0-N09-J00
Task 913 of 4096 (0,1,3,0,1,1) R0F-M0-N09-J00
Task 914 of 4096 (0,1,3,0,1,2) R0F-M0-N09-J00
Task 915 of 4096 (0,1,3,0,1,3) R0F-M0-N09-J00
Task 916 of 4096 (0,1,3,0,1,4) R0F-M0-N09-J00
Task 917 of 4096 (0,1,3,0,1,5) R0F-M0-N09-J00
Task 918 of 4096 (0,1,3,0,1,6) R0F-M0-N09-J00
Task 919 of 4096 (0,1,3,0,1,7) R0F-M0-N09-J00
Task 920 of 4096 (0,1,3,0,1,8) R0F-M0-N09-J00
Task 921 of 4096 (0,1,3,0,1,9) R0F-M0-N09-J00
Task 922 of 4096 (0,1,3,0,1,10) R0F-M0-N09-J00
Task 923 of 4096 (0,1,3,0,1,11) R0F-M0-N09-J00
Task 924 of 4096 (0,1,3,0,1,12) R0F-M0-N09-J00
Task 925 of 4096 (0,1,3,0,1,13) R0F-M0-N09-J00
Task 926 of 4096 (0,1,3,0,1,14) R0F-M0-N09-J00
Task 927 of 4096 (0,1,3,0,1,15) R0F-M0-N09-J00
Task 928 of 4096 (0,1,3,1,0,0) R0F-M0-N09-J11
Task 929 of 4096 (0,1,3,1,0,1) R0F-M0-N09-J11
Task 930 of 4096 (0,1,3,1,0,2) R0F-M0-N09-J11
Task 931 of 4096 (0,1,3,1,0,3) R0F-M0-N09-J11
Task 932 of 4096 (0,1,3,1,0,4) R0F-M0-N09-J11
Task 933 of 4096 (0,1,3,1,0,5) R0F-M0-N09-J11
Task 934 of 4096 (0,1,3,1,0,6) R0F-M0-N09-J11
Task 935 of 4096 (0,1,3,1,0,7) R0F-M0-N09-J11
Task 936 of 4096 (0,1,3,1,0,8) R0F-M0-N09-J11
Task 937 of 4096 (0,1,3,1,0,9) R0F-M0-N09-J11
Task 938 of 4096 (0,1,3,1,0,10) R0F-M0-N09-J11
Task 939 of 4096 (0,1,3,1,0,11) R0F-M0-N09-J11
Task 940 of 4096 (0,1,3,1,0,12) R0F-M0-N09-J11
Task 941 of 4096 (0,1,3,1,0,13) R0F-M0-N09-J11
Task 942 of 4096 (0,1,3,1,0,14) R0F-M0-N09-J11
Task 943 of 4096 (0,1,3,1,0,15) R0F-M0-N09-J11
Task 944 of 4096 (0,1,3,1,1,0) R0F-M0-N09-J12
Task 945 of 4096 (0,1,3,1,1,1) R0F-M0-N09-J12
Task 946 of 4096 (0,1,3,1,1,2) R0F-M0-N09-J12
Task 947 of 4096 (0,1,3,1,1,3) R0F-M0-N09-J12
Task 948 of 4096 (0,1,3,1,1,4) R0F-M0-N09-J12
Task 949 of 4096 (0,1,3,1,1,5) R0F-M0-N09-J12
Task 950 of 4096 (0,1,3,1,1,6) R0F-M0-N09-J12
Task 951 of 4096 (0,1,3,1,1,7) R0F-M0-N09-J12
Task 952 of 4096 (0,1,3,1,1,8) R0F-M0-N09-J12
Task 953 of 4096 (0,1,3,1,1,9) R0F-M0-N09-J12
Task 954 of 4096 (0,1,3,1,1,10) R0F-M0-N09-J12
Task 955 of 4096 (0,1,3,1,1,11) R0F-M0-N09-J12
Task 956 of 4096 (0,1,3,1,1,12) R0F-M0-N09-J12
Task 957 of 4096 (0,1,3,1,1,13) R0F-M0-N09-J12
Task 958 of 4096 (0,1,3,1,1,14) R0F-M0-N09-J12
Task 959 of 4096 (0,1,3,1,1,15) R0F-M0-N09-J12
Task 960 of 4096 (0,1,3,2,0,0) R0F-M0-N11-J11
Task 961 of 4096 (0,1,3,2,0,1) R0F-M0-N11-J11
Task 962 of 4096 (0,1,3,2,0,2) R0F-M0-N11-J11
Task 963 of 4096 (0,1,3,2,0,3) R0F-M0-N11-J11
Task 964 of 4096 (0,1,3,2,0,4) R0F-M0-N11-J11
Task 965 of 4096 (0,1,3,2,0,5) R0F-M0-N11-J11
Task 966 of 4096 (0,1,3,2,0,6) R0F-M0-N11-J11
Task 967 of 4096 (0,1,3,2,0,7) R0F-M0-N11-J11
Task 968 of 4096 (0,1,3,2,0,8) R0F-M0-N11-J11
Task 969 of 4096 (0,1,3,2,0,9) R0F-M0-N11-J11
Task 970 of 4096 (0,1,3,2,0,10) R0F-M0-N11-J11
Task 971 of 4096 (0,1,3,2,0,11) R0F-M0-N11-J11
Task 972 of 4096 (0,1,3,2,0,12) R0F-M0-N11-J11
Task 973 of 4096 (0,1,3,2,0,13) R0F-M0-N11-J11
Task 974 of 4096 (0,1,3,2,0,14) R0F-M0-N11-J11
Task 975 of 4096 (0,1,3,2,0,15) R0F-M0-N11-J11
Task 976 of 4096 (0,1,3,2,1,0) R0F-M0-N11-J12
Task 977 of 4096 (0,1,3,2,1,1) R0F-M0-N11-J12
Task 978 of 4096 (0,1,3,2,1,2) R0F-M0-N11-J12
Task 979 of 4096 (0,1,3,2,1,3) R0F-M0-N11-J12
Task 980 of 4096 (0,1,3,2,1,4) R0F-M0-N11-J12
Task 981 of 4096 (0,1,3,2,1,5) R0F-M0-N11-J12
Task 982 of 4096 (0,1,3,2,1,6) R0F-M0-N11-J12
Task 983 of 4096 (0,1,3,2,1,7) R0F-M0-N11-J12
Task 984 of 4096 (0,1,3,2,1,8) R0F-M0-N11-J12
Task 985 of 4096 (0,1,3,2,1,9) R0F-M0-N11-J12
Task 986 of 4096 (0,1,3,2,1,10) R0F-M0-N11-J12
Task 987 of 4096 (0,1,3,2,1,11) R0F-M0-N11-J12
Task 988 of 4096 (0,1,3,2,1,12) R0F-M0-N11-J12
Task 989 of 4096 (0,1,3,2,1,13) R0F-M0-N11-J12
Task 990 of 4096 (0,1,3,2,1,14) R0F-M0-N11-J12
Task 991 of 4096 (0,1,3,2,1,15) R0F-M0-N11-J12
Task 992 of 4096 (0,1,3,3,0,0) R0F-M0-N11-J07
Task 993 of 4096 (0,1,3,3,0,1) R0F-M0-N11-J07
Task 994 of 4096 (0,1,3,3,0,2) R0F-M0-N11-J07
Task 995 of 4096 (0,1,3,3,0,3) R0F-M0-N11-J07
Task 996 of 4096 (0,1,3,3,0,4) R0F-M0-N11-J07
Task 997 of 4096 (0,1,3,3,0,5) R0F-M0-N11-J07
Task 998 of 4096 (0,1,3,3,0,6) R0F-M0-N11-J07
Task 999 of 4096 (0,1,3,3,0,7) R0F-M0-N11-J07
Task 1000 of 4096 (0,1,3,3,0,8) R0F-M0-N11-J07
Task 1001 of 4096 (0,1,3,3,0,9) R0F-M0-N11-J07
Task 1002 of 4096 (0,1,3,3,0,10) R0F-M0-N11-J07
Task 1003 of 4096 (0,1,3,3,0,11) R0F-M0-N11-J07
Task 1004 of 4096 (0,1,3,3,0,12) R0F-M0-N11-J07
Task 1005 of 4096 (0,1,3,3,0,13) R0F-M0-N11-J07
Task 1006 of 4096 (0,1,3,3,0,14) R0F-M0-N11-J07
Task 1007 of 4096 (0,1,3,3,0,15) R0F-M0-N11-J07
Task 1008 of 4096 (0,1,3,3,1,0) R0F-M0-N11-J00
Task 1009 of 4096 (0,1,3,3,1,1) R0F-M0-N11-J00
Task 1010 of 4096 (0,1,3,3,1,2) R0F-M0-N11-J00
Task 1011 of 4096 (0,1,3,3,1,3) R0F-M0-N11-J00
Task 1012 of 4096 (0,1,3,3,1,4) R0F-M0-N11-J00
Task 1013 of 4096 (0,1,3,3,1,5) R0F-M0-N11-J00
Task 1014 of 4096 (0,1,3,3,1,6) R0F-M0-N11-J00
Task 1015 of 4096 (0,1,3,3,1,7) R0F-M0-N11-J00
Task 1016 of 4096 (0,1,3,3,1,8) R0F-M0-N11-J00
Task 1017 of 4096 (0,1,3,3,1,9) R0F-M0-N11-J00
Task 1018 of 4096 (0,1,3,3,1,10) R0F-M0-N11-J00
Task 1019 of 4096 (0,1,3,3,1,11) R0F-M0-N11-J00
Task 1020 of 4096 (0,1,3,3,1,12) R0F-M0-N11-J00
Task 1021 of 4096 (0,1,3,3,1,13) R0F-M0-N11-J00
Task 1022 of 4096 (0,1,3,3,1,14) R0F-M0-N11-J00
Task 1023 of 4096 (0,1,3,3,1,15) R0F-M0-N11-J00
Task 1024 of 4096 (1,0,0,0,0,0) R0F-M0-N08-J25
Task 1025 of 4096 (1,0,0,0,0,1) R0F-M0-N08-J25
Task 1026 of 4096 (1,0,0,0,0,2) R0F-M0-N08-J25
Task 1027 of 4096 (1,0,0,0,0,3) R0F-M0-N08-J25
Task 1028 of 4096 (1,0,0,0,0,4) R0F-M0-N08-J25
Task 1029 of 4096 (1,0,0,0,0,5) R0F-M0-N08-J25
Task 1030 of 4096 (1,0,0,0,0,6) R0F-M0-N08-J25
Task 1031 of 4096 (1,0,0,0,0,7) R0F-M0-N08-J25
Task 1032 of 4096 (1,0,0,0,0,8) R0F-M0-N08-J25
Task 1033 of 4096 (1,0,0,0,0,9) R0F-M0-N08-J25
Task 1034 of 4096 (1,0,0,0,0,10) R0F-M0-N08-J25
Task 1035 of 4096 (1,0,0,0,0,11) R0F-M0-N08-J25
Task 1036 of 4096 (1,0,0,0,0,12) R0F-M0-N08-J25
Task 1037 of 4096 (1,0,0,0,0,13) R0F-M0-N08-J25
Task 1038 of 4096 (1,0,0,0,0,14) R0F-M0-N08-J25
Task 1039 of 4096 (1,0,0,0,0,15) R0F-M0-N08-J25
Task 1040 of 4096 (1,0,0,0,1,0) R0F-M0-N08-J30
Task 1041 of 4096 (1,0,0,0,1,1) R0F-M0-N08-J30
Task 1042 of 4096 (1,0,0,0,1,2) R0F-M0-N08-J30
Task 1043 of 4096 (1,0,0,0,1,3) R0F-M0-N08-J30
Task 1044 of 4096 (1,0,0,0,1,4) R0F-M0-N08-J30
Task 1045 of 4096 (1,0,0,0,1,5) R0F-M0-N08-J30
Task 1046 of 4096 (1,0,0,0,1,6) R0F-M0-N08-J30
Task 1047 of 4096 (1,0,0,0,1,7) R0F-M0-N08-J30
Task 1048 of 4096 (1,0,0,0,1,8) R0F-M0-N08-J30
Task 1049 of 4096 (1,0,0,0,1,9) R0F-M0-N08-J30
Task 1050 of 4096 (1,0,0,0,1,10) R0F-M0-N08-J30
Task 1051 of 4096 (1,0,0,0,1,11) R0F-M0-N08-J30
Task 1052 of 4096 (1,0,0,0,1,12) R0F-M0-N08-J30
Task 1053 of 4096 (1,0,0,0,1,13) R0F-M0-N08-J30
Task 1054 of 4096 (1,0,0,0,1,14) R0F-M0-N08-J30
Task 1055 of 4096 (1,0,0,0,1,15) R0F-M0-N08-J30
Task 1056 of 4096 (1,0,0,1,0,0) R0F-M0-N08-J21
Task 1057 of 4096 (1,0,0,1,0,1) R0F-M0-N08-J21
Task 1058 of 4096 (1,0,0,1,0,2) R0F-M0-N08-J21
Task 1059 of 4096 (1,0,0,1,0,3) R0F-M0-N08-J21
Task 1060 of 4096 (1,0,0,1,0,4) R0F-M0-N08-J21
Task 1061 of 4096 (1,0,0,1,0,5) R0F-M0-N08-J21
Task 1062 of 4096 (1,0,0,1,0,6) R0F-M0-N08-J21
Task 1063 of 4096 (1,0,0,1,0,7) R0F-M0-N08-J21
Task 1064 of 4096 (1,0,0,1,0,8) R0F-M0-N08-J21
Task 1065 of 4096 (1,0,0,1,0,9) R0F-M0-N08-J21
Task 1066 of 4096 (1,0,0,1,0,10) R0F-M0-N08-J21
Task 1067 of 4096 (1,0,0,1,0,11) R0F-M0-N08-J21
Task 1068 of 4096 (1,0,0,1,0,12) R0F-M0-N08-J21
Task 1069 of 4096 (1,0,0,1,0,13) R0F-M0-N08-J21
Task 1070 of 4096 (1,0,0,1,0,14) R0F-M0-N08-J21
Task 1071 of 4096 (1,0,0,1,0,15) R0F-M0-N08-J21
Task 1072 of 4096 (1,0,0,1,1,0) R0F-M0-N08-J18
Task 1073 of 4096 (1,0,0,1,1,1) R0F-M0-N08-J18
Task 1074 of 4096 (1,0,0,1,1,2) R0F-M0-N08-J18
Task 1075 of 4096 (1,0,0,1,1,3) R0F-M0-N08-J18
Task 1076 of 4096 (1,0,0,1,1,4) R0F-M0-N08-J18
Task 1077 of 4096 (1,0,0,1,1,5) R0F-M0-N08-J18
Task 1078 of 4096 (1,0,0,1,1,6) R0F-M0-N08-J18
Task 1079 of 4096 (1,0,0,1,1,7) R0F-M0-N08-J18
Task 1080 of 4096 (1,0,0,1,1,8) R0F-M0-N08-J18
Task 1081 of 4096 (1,0,0,1,1,9) R0F-M0-N08-J18
Task 1082 of 4096 (1,0,0,1,1,10) R0F-M0-N08-J18
Task 1083 of 4096 (1,0,0,1,1,11) R0F-M0-N08-J18
Task 1084 of 4096 (1,0,0,1,1,12) R0F-M0-N08-J18
Task 1085 of 4096 (1,0,0,1,1,13) R0F-M0-N08-J18
Task 1086 of 4096 (1,0,0,1,1,14) R0F-M0-N08-J18
Task 1087 of 4096 (1,0,0,1,1,15) R0F-M0-N08-J18
Task 1088 of 4096 (1,0,0,2,0,0) R0F-M0-N10-J21
Task 1089 of 4096 (1,0,0,2,0,1) R0F-M0-N10-J21
Task 1090 of 4096 (1,0,0,2,0,2) R0F-M0-N10-J21
Task 1091 of 4096 (1,0,0,2,0,3) R0F-M0-N10-J21
Task 1092 of 4096 (1,0,0,2,0,4) R0F-M0-N10-J21
Task 1093 of 4096 (1,0,0,2,0,5) R0F-M0-N10-J21
Task 1094 of 4096 (1,0,0,2,0,6) R0F-M0-N10-J21
Task 1095 of 4096 (1,0,0,2,0,7) R0F-M0-N10-J21
Task 1096 of 4096 (1,0,0,2,0,8) R0F-M0-N10-J21
Task 1097 of 4096 (1,0,0,2,0,9) R0F-M0-N10-J21
Task 1098 of 4096 (1,0,0,2,0,10) R0F-M0-N10-J21
Task 1099 of 4096 (1,0,0,2,0,11) R0F-M0-N10-J21
Task 1100 of 4096 (1,0,0,2,0,12) R0F-M0-N10-J21
Task 1101 of 4096 (1,0,0,2,0,13) R0F-M0-N10-J21
Task 1102 of 4096 (1,0,0,2,0,14) R0F-M0-N10-J21
Task 1103 of 4096 (1,0,0,2,0,15) R0F-M0-N10-J21
Task 1104 of 4096 (1,0,0,2,1,0) R0F-M0-N10-J18
Task 1105 of 4096 (1,0,0,2,1,1) R0F-M0-N10-J18
Task 1106 of 4096 (1,0,0,2,1,2) R0F-M0-N10-J18
Task 1107 of 4096 (1,0,0,2,1,3) R0F-M0-N10-J18
Task 1108 of 4096 (1,0,0,2,1,4) R0F-M0-N10-J18
Task 1109 of 4096 (1,0,0,2,1,5) R0F-M0-N10-J18
Task 1110 of 4096 (1,0,0,2,1,6) R0F-M0-N10-J18
Task 1111 of 4096 (1,0,0,2,1,7) R0F-M0-N10-J18
Task 1112 of 4096 (1,0,0,2,1,8) R0F-M0-N10-J18
Task 1113 of 4096 (1,0,0,2,1,9) R0F-M0-N10-J18
Task 1114 of 4096 (1,0,0,2,1,10) R0F-M0-N10-J18
Task 1115 of 4096 (1,0,0,2,1,11) R0F-M0-N10-J18
Task 1116 of 4096 (1,0,0,2,1,12) R0F-M0-N10-J18
Task 1117 of 4096 (1,0,0,2,1,13) R0F-M0-N10-J18
Task 1118 of 4096 (1,0,0,2,1,14) R0F-M0-N10-J18
Task 1119 of 4096 (1,0,0,2,1,15) R0F-M0-N10-J18
Task 1120 of 4096 (1,0,0,3,0,0) R0F-M0-N10-J25
Task 1121 of 4096 (1,0,0,3,0,1) R0F-M0-N10-J25
Task 1122 of 4096 (1,0,0,3,0,2) R0F-M0-N10-J25
Task 1123 of 4096 (1,0,0,3,0,3) R0F-M0-N10-J25
Task 1124 of 4096 (1,0,0,3,0,4) R0F-M0-N10-J25
Task 1125 of 4096 (1,0,0,3,0,5) R0F-M0-N10-J25
Task 1126 of 4096 (1,0,0,3,0,6) R0F-M0-N10-J25
Task 1127 of 4096 (1,0,0,3,0,7) R0F-M0-N10-J25
Task 1128 of 4096 (1,0,0,3,0,8) R0F-M0-N10-J25
Task 1129 of 4096 (1,0,0,3,0,9) R0F-M0-N10-J25
Task 1130 of 4096 (1,0,0,3,0,10) R0F-M0-N10-J25
Task 1131 of 4096 (1,0,0,3,0,11) R0F-M0-N10-J25
Task 1132 of 4096 (1,0,0,3,0,12) R0F-M0-N10-J25
Task 1133 of 4096 (1,0,0,3,0,13) R0F-M0-N10-J25
Task 1134 of 4096 (1,0,0,3,0,14) R0F-M0-N10-J25
Task 1135 of 4096 (1,0,0,3,0,15) R0F-M0-N10-J25
Task 1136 of 4096 (1,0,0,3,1,0) R0F-M0-N10-J30
Task 1137 of 4096 (1,0,0,3,1,1) R0F-M0-N10-J30
Task 1138 of 4096 (1,0,0,3,1,2) R0F-M0-N10-J30
Task 1139 of 4096 (1,0,0,3,1,3) R0F-M0-N10-J30
Task 1140 of 4096 (1,0,0,3,1,4) R0F-M0-N10-J30
Task 1141 of 4096 (1,0,0,3,1,5) R0F-M0-N10-J30
Task 1142 of 4096 (1,0,0,3,1,6) R0F-M0-N10-J30
Task 1143 of 4096 (1,0,0,3,1,7) R0F-M0-N10-J30
Task 1144 of 4096 (1,0,0,3,1,8) R0F-M0-N10-J30
Task 1145 of 4096 (1,0,0,3,1,9) R0F-M0-N10-J30
Task 1146 of 4096 (1,0,0,3,1,10) R0F-M0-N10-J30
Task 1147 of 4096 (1,0,0,3,1,11) R0F-M0-N10-J30
Task 1148 of 4096 (1,0,0,3,1,12) R0F-M0-N10-J30
Task 1149 of 4096 (1,0,0,3,1,13) R0F-M0-N10-J30
Task 1150 of 4096 (1,0,0,3,1,14) R0F-M0-N10-J30
Task 1151 of 4096 (1,0,0,3,1,15) R0F-M0-N10-J30
Task 1152 of 4096 (1,0,1,0,0,0) R0F-M0-N08-J24
Task 1153 of 4096 (1,0,1,0,0,1) R0F-M0-N08-J24
Task 1154 of 4096 (1,0,1,0,0,2) R0F-M0-N08-J24
Task 1155 of 4096 (1,0,1,0,0,3) R0F-M0-N08-J24
Task 1156 of 4096 (1,0,1,0,0,4) R0F-M0-N08-J24
Task 1157 of 4096 (1,0,1,0,0,5) R0F-M0-N08-J24
Task 1158 of 4096 (1,0,1,0,0,6) R0F-M0-N08-J24
Task 1159 of 4096 (1,0,1,0,0,7) R0F-M0-N08-J24
Task 1160 of 4096 (1,0,1,0,0,8) R0F-M0-N08-J24
Task 1161 of 4096 (1,0,1,0,0,9) R0F-M0-N08-J24
Task 1162 of 4096 (1,0,1,0,0,10) R0F-M0-N08-J24
Task 1163 of 4096 (1,0,1,0,0,11) R0F-M0-N08-J24
Task 1164 of 4096 (1,0,1,0,0,12) R0F-M0-N08-J24
Task 1165 of 4096 (1,0,1,0,0,13) R0F-M0-N08-J24
Task 1166 of 4096 (1,0,1,0,0,14) R0F-M0-N08-J24
Task 1167 of 4096 (1,0,1,0,0,15) R0F-M0-N08-J24
Task 1168 of 4096 (1,0,1,0,1,0) R0F-M0-N08-J31
Task 1169 of 4096 (1,0,1,0,1,1) R0F-M0-N08-J31
Task 1170 of 4096 (1,0,1,0,1,2) R0F-M0-N08-J31
Task 1171 of 4096 (1,0,1,0,1,3) R0F-M0-N08-J31
Task 1172 of 4096 (1,0,1,0,1,4) R0F-M0-N08-J31
Task 1173 of 4096 (1,0,1,0,1,5) R0F-M0-N08-J31
Task 1174 of 4096 (1,0,1,0,1,6) R0F-M0-N08-J31
Task 1175 of 4096 (1,0,1,0,1,7) R0F-M0-N08-J31
Task 1176 of 4096 (1,0,1,0,1,8) R0F-M0-N08-J31
Task 1177 of 4096 (1,0,1,0,1,9) R0F-M0-N08-J31
Task 1178 of 4096 (1,0,1,0,1,10) R0F-M0-N08-J31
Task 1179 of 4096 (1,0,1,0,1,11) R0F-M0-N08-J31
Task 1180 of 4096 (1,0,1,0,1,12) R0F-M0-N08-J31
Task 1181 of 4096 (1,0,1,0,1,13) R0F-M0-N08-J31
Task 1182 of 4096 (1,0,1,0,1,14) R0F-M0-N08-J31
Task 1183 of 4096 (1,0,1,0,1,15) R0F-M0-N08-J31
Task 1184 of 4096 (1,0,1,1,0,0) R0F-M0-N08-J20
Task 1185 of 4096 (1,0,1,1,0,1) R0F-M0-N08-J20
Task 1186 of 4096 (1,0,1,1,0,2) R0F-M0-N08-J20
Task 1187 of 4096 (1,0,1,1,0,3) R0F-M0-N08-J20
Task 1188 of 4096 (1,0,1,1,0,4) R0F-M0-N08-J20
Task 1189 of 4096 (1,0,1,1,0,5) R0F-M0-N08-J20
Task 1190 of 4096 (1,0,1,1,0,6) R0F-M0-N08-J20
Task 1191 of 4096 (1,0,1,1,0,7) R0F-M0-N08-J20
Task 1192 of 4096 (1,0,1,1,0,8) R0F-M0-N08-J20
Task 1193 of 4096 (1,0,1,1,0,9) R0F-M0-N08-J20
Task 1194 of 4096 (1,0,1,1,0,10) R0F-M0-N08-J20
Task 1195 of 4096 (1,0,1,1,0,11) R0F-M0-N08-J20
Task 1196 of 4096 (1,0,1,1,0,12) R0F-M0-N08-J20
Task 1197 of 4096 (1,0,1,1,0,13) R0F-M0-N08-J20
Task 1198 of 4096 (1,0,1,1,0,14) R0F-M0-N08-J20
Task 1199 of 4096 (1,0,1,1,0,15) R0F-M0-N08-J20
Task 1200 of 4096 (1,0,1,1,1,0) R0F-M0-N08-J19
Task 1201 of 4096 (1,0,1,1,1,1) R0F-M0-N08-J19
Task 1202 of 4096 (1,0,1,1,1,2) R0F-M0-N08-J19
Task 1203 of 4096 (1,0,1,1,1,3) R0F-M0-N08-J19
Task 1204 of 4096 (1,0,1,1,1,4) R0F-M0-N08-J19
Task 1205 of 4096 (1,0,1,1,1,5) R0F-M0-N08-J19
Task 1206 of 4096 (1,0,1,1,1,6) R0F-M0-N08-J19
Task 1207 of 4096 (1,0,1,1,1,7) R0F-M0-N08-J19
Task 1208 of 4096 (1,0,1,1,1,8) R0F-M0-N08-J19
Task 1209 of 4096 (1,0,1,1,1,9) R0F-M0-N08-J19
Task 1210 of 4096 (1,0,1,1,1,10) R0F-M0-N08-J19
Task 1211 of 4096 (1,0,1,1,1,11) R0F-M0-N08-J19
Task 1212 of 4096 (1,0,1,1,1,12) R0F-M0-N08-J19
Task 1213 of 4096 (1,0,1,1,1,13) R0F-M0-N08-J19
Task 1214 of 4096 (1,0,1,1,1,14) R0F-M0-N08-J19
Task 1215 of 4096 (1,0,1,1,1,15) R0F-M0-N08-J19
Task 1216 of 4096 (1,0,1,2,0,0) R0F-M0-N10-J20
Task 1217 of 4096 (1,0,1,2,0,1) R0F-M0-N10-J20
Task 1218 of 4096 (1,0,1,2,0,2) R0F-M0-N10-J20
Task 1219 of 4096 (1,0,1,2,0,3) R0F-M0-N10-J20
Task 1220 of 4096 (1,0,1,2,0,4) R0F-M0-N10-J20
Task 1221 of 4096 (1,0,1,2,0,5) R0F-M0-N10-J20
Task 1222 of 4096 (1,0,1,2,0,6) R0F-M0-N10-J20
Task 1223 of 4096 (1,0,1,2,0,7) R0F-M0-N10-J20
Task 1224 of 4096 (1,0,1,2,0,8) R0F-M0-N10-J20
Task 1225 of 4096 (1,0,1,2,0,9) R0F-M0-N10-J20
Task 1226 of 4096 (1,0,1,2,0,10) R0F-M0-N10-J20
Task 1227 of 4096 (1,0,1,2,0,11) R0F-M0-N10-J20
Task 1228 of 4096 (1,0,1,2,0,12) R0F-M0-N10-J20
Task 1229 of 4096 (1,0,1,2,0,13) R0F-M0-N10-J20
Task 1230 of 4096 (1,0,1,2,0,14) R0F-M0-N10-J20
Task 1231 of 4096 (1,0,1,2,0,15) R0F-M0-N10-J20
Task 1232 of 4096 (1,0,1,2,1,0) R0F-M0-N10-J19
Task 1233 of 4096 (1,0,1,2,1,1) R0F-M0-N10-J19
Task 1234 of 4096 (1,0,1,2,1,2) R0F-M0-N10-J19
Task 1235 of 4096 (1,0,1,2,1,3) R0F-M0-N10-J19
Task 1236 of 4096 (1,0,1,2,1,4) R0F-M0-N10-J19
Task 1237 of 4096 (1,0,1,2,1,5) R0F-M0-N10-J19
Task 1238 of 4096 (1,0,1,2,1,6) R0F-M0-N10-J19
Task 1239 of 4096 (1,0,1,2,1,7) R0F-M0-N10-J19
Task 1240 of 4096 (1,0,1,2,1,8) R0F-M0-N10-J19
Task 1241 of 4096 (1,0,1,2,1,9) R0F-M0-N10-J19
Task 1242 of 4096 (1,0,1,2,1,10) R0F-M0-N10-J19
Task 1243 of 4096 (1,0,1,2,1,11) R0F-M0-N10-J19
Task 1244 of 4096 (1,0,1,2,1,12) R0F-M0-N10-J19
Task 1245 of 4096 (1,0,1,2,1,13) R0F-M0-N10-J19
Task 1246 of 4096 (1,0,1,2,1,14) R0F-M0-N10-J19
Task 1247 of 4096 (1,0,1,2,1,15) R0F-M0-N10-J19
Task 1248 of 4096 (1,0,1,3,0,0) R0F-M0-N10-J24
Task 1249 of 4096 (1,0,1,3,0,1) R0F-M0-N10-J24
Task 1250 of 4096 (1,0,1,3,0,2) R0F-M0-N10-J24
Task 1251 of 4096 (1,0,1,3,0,3) R0F-M0-N10-J24
Task 1252 of 4096 (1,0,1,3,0,4) R0F-M0-N10-J24
Task 1253 of 4096 (1,0,1,3,0,5) R0F-M0-N10-J24
Task 1254 of 4096 (1,0,1,3,0,6) R0F-M0-N10-J24
Task 1255 of 4096 (1,0,1,3,0,7) R0F-M0-N10-J24
Task 1256 of 4096 (1,0,1,3,0,8) R0F-M0-N10-J24
Task 1257 of 4096 (1,0,1,3,0,9) R0F-M0-N10-J24
Task 1258 of 4096 (1,0,1,3,0,10) R0F-M0-N10-J24
Task 1259 of 4096 (1,0,1,3,0,11) R0F-M0-N10-J24
Task 1260 of 4096 (1,0,1,3,0,12) R0F-M0-N10-J24
Task 1261 of 4096 (1,0,1,3,0,13) R0F-M0-N10-J24
Task 1262 of 4096 (1,0,1,3,0,14) R0F-M0-N10-J24
Task 1263 of 4096 (1,0,1,3,0,15) R0F-M0-N10-J24
Task 1264 of 4096 (1,0,1,3,1,0) R0F-M0-N10-J31
Task 1265 of 4096 (1,0,1,3,1,1) R0F-M0-N10-J31
Task 1266 of 4096 (1,0,1,3,1,2) R0F-M0-N10-J31
Task 1267 of 4096 (1,0,1,3,1,3) R0F-M0-N10-J31
Task 1268 of 4096 (1,0,1,3,1,4) R0F-M0-N10-J31
Task 1269 of 4096 (1,0,1,3,1,5) R0F-M0-N10-J31
Task 1270 of 4096 (1,0,1,3,1,6) R0F-M0-N10-J31
Task 1271 of 4096 (1,0,1,3,1,7) R0F-M0-N10-J31
Task 1272 of 4096 (1,0,1,3,1,8) R0F-M0-N10-J31
Task 1273 of 4096 (1,0,1,3,1,9) R0F-M0-N10-J31
Task 1274 of 4096 (1,0,1,3,1,10) R0F-M0-N10-J31
Task 1275 of 4096 (1,0,1,3,1,11) R0F-M0-N10-J31
Task 1276 of 4096 (1,0,1,3,1,12) R0F-M0-N10-J31
Task 1277 of 4096 (1,0,1,3,1,13) R0F-M0-N10-J31
Task 1278 of 4096 (1,0,1,3,1,14) R0F-M0-N10-J31
Task 1279 of 4096 (1,0,1,3,1,15) R0F-M0-N10-J31
Task 1280 of 4096 (1,0,2,0,0,0) R0F-M0-N09-J24
Task 1281 of 4096 (1,0,2,0,0,1) R0F-M0-N09-J24
Task 1282 of 4096 (1,0,2,0,0,2) R0F-M0-N09-J24
Task 1283 of 4096 (1,0,2,0,0,3) R0F-M0-N09-J24
Task 1284 of 4096 (1,0,2,0,0,4) R0F-M0-N09-J24
Task 1285 of 4096 (1,0,2,0,0,5) R0F-M0-N09-J24
Task 1286 of 4096 (1,0,2,0,0,6) R0F-M0-N09-J24
Task 1287 of 4096 (1,0,2,0,0,7) R0F-M0-N09-J24
Task 1288 of 4096 (1,0,2,0,0,8) R0F-M0-N09-J24
Task 1289 of 4096 (1,0,2,0,0,9) R0F-M0-N09-J24
Task 1290 of 4096 (1,0,2,0,0,10) R0F-M0-N09-J24
Task 1291 of 4096 (1,0,2,0,0,11) R0F-M0-N09-J24
Task 1292 of 4096 (1,0,2,0,0,12) R0F-M0-N09-J24
Task 1293 of 4096 (1,0,2,0,0,13) R0F-M0-N09-J24
Task 1294 of 4096 (1,0,2,0,0,14) R0F-M0-N09-J24
Task 1295 of 4096 (1,0,2,0,0,15) R0F-M0-N09-J24
Task 1296 of 4096 (1,0,2,0,1,0) R0F-M0-N09-J31
Task 1297 of 4096 (1,0,2,0,1,1) R0F-M0-N09-J31
Task 1298 of 4096 (1,0,2,0,1,2) R0F-M0-N09-J31
Task 1299 of 4096 (1,0,2,0,1,3) R0F-M0-N09-J31
Task 1300 of 4096 (1,0,2,0,1,4) R0F-M0-N09-J31
Task 1301 of 4096 (1,0,2,0,1,5) R0F-M0-N09-J31
Task 1302 of 4096 (1,0,2,0,1,6) R0F-M0-N09-J31
Task 1303 of 4096 (1,0,2,0,1,7) R0F-M0-N09-J31
Task 1304 of 4096 (1,0,2,0,1,8) R0F-M0-N09-J31
Task 1305 of 4096 (1,0,2,0,1,9) R0F-M0-N09-J31
Task 1306 of 4096 (1,0,2,0,1,10) R0F-M0-N09-J31
Task 1307 of 4096 (1,0,2,0,1,11) R0F-M0-N09-J31
Task 1308 of 4096 (1,0,2,0,1,12) R0F-M0-N09-J31
Task 1309 of 4096 (1,0,2,0,1,13) R0F-M0-N09-J31
Task 1310 of 4096 (1,0,2,0,1,14) R0F-M0-N09-J31
Task 1311 of 4096 (1,0,2,0,1,15) R0F-M0-N09-J31
Task 1312 of 4096 (1,0,2,1,0,0) R0F-M0-N09-J20
Task 1313 of 4096 (1,0,2,1,0,1) R0F-M0-N09-J20
Task 1314 of 4096 (1,0,2,1,0,2) R0F-M0-N09-J20
Task 1315 of 4096 (1,0,2,1,0,3) R0F-M0-N09-J20
Task 1316 of 4096 (1,0,2,1,0,4) R0F-M0-N09-J20
Task 1317 of 4096 (1,0,2,1,0,5) R0F-M0-N09-J20
Task 1318 of 4096 (1,0,2,1,0,6) R0F-M0-N09-J20
Task 1319 of 4096 (1,0,2,1,0,7) R0F-M0-N09-J20
Task 1320 of 4096 (1,0,2,1,0,8) R0F-M0-N09-J20
Task 1321 of 4096 (1,0,2,1,0,9) R0F-M0-N09-J20
Task 1322 of 4096 (1,0,2,1,0,10) R0F-M0-N09-J20
Task 1323 of 4096 (1,0,2,1,0,11) R0F-M0-N09-J20
Task 1324 of 4096 (1,0,2,1,0,12) R0F-M0-N09-J20
Task 1325 of 4096 (1,0,2,1,0,13) R0F-M0-N09-J20
Task 1326 of 4096 (1,0,2,1,0,14) R0F-M0-N09-J20
Task 1327 of 4096 (1,0,2,1,0,15) R0F-M0-N09-J20
Task 1328 of 4096 (1,0,2,1,1,0) R0F-M0-N09-J19
Task 1329 of 4096 (1,0,2,1,1,1) R0F-M0-N09-J19
Task 1330 of 4096 (1,0,2,1,1,2) R0F-M0-N09-J19
Task 1331 of 4096 (1,0,2,1,1,3) R0F-M0-N09-J19
Task 1332 of 4096 (1,0,2,1,1,4) R0F-M0-N09-J19
Task 1333 of 4096 (1,0,2,1,1,5) R0F-M0-N09-J19
Task 1334 of 4096 (1,0,2,1,1,6) R0F-M0-N09-J19
Task 1335 of 4096 (1,0,2,1,1,7) R0F-M0-N09-J19
Task 1336 of 4096 (1,0,2,1,1,8) R0F-M0-N09-J19
Task 1337 of 4096 (1,0,2,1,1,9) R0F-M0-N09-J19
Task 1338 of 4096 (1,0,2,1,1,10) R0F-M0-N09-J19
Task 1339 of 4096 (1,0,2,1,1,11) R0F-M0-N09-J19
Task 1340 of 4096 (1,0,2,1,1,12) R0F-M0-N09-J19
Task 1341 of 4096 (1,0,2,1,1,13) R0F-M0-N09-J19
Task 1342 of 4096 (1,0,2,1,1,14) R0F-M0-N09-J19
Task 1343 of 4096 (1,0,2,1,1,15) R0F-M0-N09-J19
Task 1344 of 4096 (1,0,2,2,0,0) R0F-M0-N11-J20
Task 1345 of 4096 (1,0,2,2,0,1) R0F-M0-N11-J20
Task 1346 of 4096 (1,0,2,2,0,2) R0F-M0-N11-J20
Task 1347 of 4096 (1,0,2,2,0,3) R0F-M0-N11-J20
Task 1348 of 4096 (1,0,2,2,0,4) R0F-M0-N11-J20
Task 1349 of 4096 (1,0,2,2,0,5) R0F-M0-N11-J20
Task 1350 of 4096 (1,0,2,2,0,6) R0F-M0-N11-J20
Task 1351 of 4096 (1,0,2,2,0,7) R0F-M0-N11-J20
Task 1352 of 4096 (1,0,2,2,0,8) R0F-M0-N11-J20
Task 1353 of 4096 (1,0,2,2,0,9) R0F-M0-N11-J20
Task 1354 of 4096 (1,0,2,2,0,10) R0F-M0-N11-J20
Task 1355 of 4096 (1,0,2,2,0,11) R0F-M0-N11-J20
Task 1356 of 4096 (1,0,2,2,0,12) R0F-M0-N11-J20
Task 1357 of 4096 (1,0,2,2,0,13) R0F-M0-N11-J20
Task 1358 of 4096 (1,0,2,2,0,14) R0F-M0-N11-J20
Task 1359 of 4096 (1,0,2,2,0,15) R0F-M0-N11-J20
Task 1360 of 4096 (1,0,2,2,1,0) R0F-M0-N11-J19
Task 1361 of 4096 (1,0,2,2,1,1) R0F-M0-N11-J19
Task 1362 of 4096 (1,0,2,2,1,2) R0F-M0-N11-J19
Task 1363 of 4096 (1,0,2,2,1,3) R0F-M0-N11-J19
Task 1364 of 4096 (1,0,2,2,1,4) R0F-M0-N11-J19
Task 1365 of 4096 (1,0,2,2,1,5) R0F-M0-N11-J19
Task 1366 of 4096 (1,0,2,2,1,6) R0F-M0-N11-J19
Task 1367 of 4096 (1,0,2,2,1,7) R0F-M0-N11-J19
Task 1368 of 4096 (1,0,2,2,1,8) R0F-M0-N11-J19
Task 1369 of 4096 (1,0,2,2,1,9) R0F-M0-N11-J19
Task 1370 of 4096 (1,0,2,2,1,10) R0F-M0-N11-J19
Task 1371 of 4096 (1,0,2,2,1,11) R0F-M0-N11-J19
Task 1372 of 4096 (1,0,2,2,1,12) R0F-M0-N11-J19
Task 1373 of 4096 (1,0,2,2,1,13) R0F-M0-N11-J19
Task 1374 of 4096 (1,0,2,2,1,14) R0F-M0-N11-J19
Task 1375 of 4096 (1,0,2,2,1,15) R0F-M0-N11-J19
Task 1376 of 4096 (1,0,2,3,0,0) R0F-M0-N11-J24
Task 1377 of 4096 (1,0,2,3,0,1) R0F-M0-N11-J24
Task 1378 of 4096 (1,0,2,3,0,2) R0F-M0-N11-J24
Task 1379 of 4096 (1,0,2,3,0,3) R0F-M0-N11-J24
Task 1380 of 4096 (1,0,2,3,0,4) R0F-M0-N11-J24
Task 1381 of 4096 (1,0,2,3,0,5) R0F-M0-N11-J24
Task 1382 of 4096 (1,0,2,3,0,6) R0F-M0-N11-J24
Task 1383 of 4096 (1,0,2,3,0,7) R0F-M0-N11-J24
Task 1384 of 4096 (1,0,2,3,0,8) R0F-M0-N11-J24
Task 1385 of 4096 (1,0,2,3,0,9) R0F-M0-N11-J24
Task 1386 of 4096 (1,0,2,3,0,10) R0F-M0-N11-J24
Task 1387 of 4096 (1,0,2,3,0,11) R0F-M0-N11-J24
Task 1388 of 4096 (1,0,2,3,0,12) R0F-M0-N11-J24
Task 1389 of 4096 (1,0,2,3,0,13) R0F-M0-N11-J24
Task 1390 of 4096 (1,0,2,3,0,14) R0F-M0-N11-J24
Task 1391 of 4096 (1,0,2,3,0,15) R0F-M0-N11-J24
Task 1392 of 4096 (1,0,2,3,1,0) R0F-M0-N11-J31
Task 1393 of 4096 (1,0,2,3,1,1) R0F-M0-N11-J31
Task 1394 of 4096 (1,0,2,3,1,2) R0F-M0-N11-J31
Task 1395 of 4096 (1,0,2,3,1,3) R0F-M0-N11-J31
Task 1396 of 4096 (1,0,2,3,1,4) R0F-M0-N11-J31
Task 1397 of 4096 (1,0,2,3,1,5) R0F-M0-N11-J31
Task 1398 of 4096 (1,0,2,3,1,6) R0F-M0-N11-J31
Task 1399 of 4096 (1,0,2,3,1,7) R0F-M0-N11-J31
Task 1400 of 4096 (1,0,2,3,1,8) R0F-M0-N11-J31
Task 1401 of 4096 (1,0,2,3,1,9) R0F-M0-N11-J31
Task 1402 of 4096 (1,0,2,3,1,10) R0F-M0-N11-J31
Task 1403 of 4096 (1,0,2,3,1,11) R0F-M0-N11-J31
Task 1404 of 4096 (1,0,2,3,1,12) R0F-M0-N11-J31
Task 1405 of 4096 (1,0,2,3,1,13) R0F-M0-N11-J31
Task 1406 of 4096 (1,0,2,3,1,14) R0F-M0-N11-J31
Task 1407 of 4096 (1,0,2,3,1,15) R0F-M0-N11-J31
Task 1408 of 4096 (1,0,3,0,0,0) R0F-M0-N09-J25
Task 1409 of 4096 (1,0,3,0,0,1) R0F-M0-N09-J25
Task 1410 of 4096 (1,0,3,0,0,2) R0F-M0-N09-J25
Task 1411 of 4096 (1,0,3,0,0,3) R0F-M0-N09-J25
Task 1412 of 4096 (1,0,3,0,0,4) R0F-M0-N09-J25
Task 1413 of 4096 (1,0,3,0,0,5) R0F-M0-N09-J25
Task 1414 of 4096 (1,0,3,0,0,6) R0F-M0-N09-J25
Task 1415 of 4096 (1,0,3,0,0,7) R0F-M0-N09-J25
Task 1416 of 4096 (1,0,3,0,0,8) R0F-M0-N09-J25
Task 1417 of 4096 (1,0,3,0,0,9) R0F-M0-N09-J25
Task 1418 of 4096 (1,0,3,0,0,10) R0F-M0-N09-J25
Task 1419 of 4096 (1,0,3,0,0,11) R0F-M0-N09-J25
Task 1420 of 4096 (1,0,3,0,0,12) R0F-M0-N09-J25
Task 1421 of 4096 (1,0,3,0,0,13) R0F-M0-N09-J25
Task 1422 of 4096 (1,0,3,0,0,14) R0F-M0-N09-J25
Task 1423 of 4096 (1,0,3,0,0,15) R0F-M0-N09-J25
Task 1424 of 4096 (1,0,3,0,1,0) R0F-M0-N09-J30
Task 1425 of 4096 (1,0,3,0,1,1) R0F-M0-N09-J30
Task 1426 of 4096 (1,0,3,0,1,2) R0F-M0-N09-J30
Task 1427 of 4096 (1,0,3,0,1,3) R0F-M0-N09-J30
Task 1428 of 4096 (1,0,3,0,1,4) R0F-M0-N09-J30
Task 1429 of 4096 (1,0,3,0,1,5) R0F-M0-N09-J30
Task 1430 of 4096 (1,0,3,0,1,6) R0F-M0-N09-J30
Task 1431 of 4096 (1,0,3,0,1,7) R0F-M0-N09-J30
Task 1432 of 4096 (1,0,3,0,1,8) R0F-M0-N09-J30
Task 1433 of 4096 (1,0,3,0,1,9) R0F-M0-N09-J30
Task 1434 of 4096 (1,0,3,0,1,10) R0F-M0-N09-J30
Task 1435 of 4096 (1,0,3,0,1,11) R0F-M0-N09-J30
Task 1436 of 4096 (1,0,3,0,1,12) R0F-M0-N09-J30
Task 1437 of 4096 (1,0,3,0,1,13) R0F-M0-N09-J30
Task 1438 of 4096 (1,0,3,0,1,14) R0F-M0-N09-J30
Task 1439 of 4096 (1,0,3,0,1,15) R0F-M0-N09-J30
Task 1440 of 4096 (1,0,3,1,0,0) R0F-M0-N09-J21
Task 1441 of 4096 (1,0,3,1,0,1) R0F-M0-N09-J21
Task 1442 of 4096 (1,0,3,1,0,2) R0F-M0-N09-J21
Task 1443 of 4096 (1,0,3,1,0,3) R0F-M0-N09-J21
Task 1444 of 4096 (1,0,3,1,0,4) R0F-M0-N09-J21
Task 1445 of 4096 (1,0,3,1,0,5) R0F-M0-N09-J21
Task 1446 of 4096 (1,0,3,1,0,6) R0F-M0-N09-J21
Task 1447 of 4096 (1,0,3,1,0,7) R0F-M0-N09-J21
Task 1448 of 4096 (1,0,3,1,0,8) R0F-M0-N09-J21
Task 1449 of 4096 (1,0,3,1,0,9) R0F-M0-N09-J21
Task 1450 of 4096 (1,0,3,1,0,10) R0F-M0-N09-J21
Task 1451 of 4096 (1,0,3,1,0,11) R0F-M0-N09-J21
Task 1452 of 4096 (1,0,3,1,0,12) R0F-M0-N09-J21
Task 1453 of 4096 (1,0,3,1,0,13) R0F-M0-N09-J21
Task 1454 of 4096 (1,0,3,1,0,14) R0F-M0-N09-J21
Task 1455 of 4096 (1,0,3,1,0,15) R0F-M0-N09-J21
Task 1456 of 4096 (1,0,3,1,1,0) R0F-M0-N09-J18
Task 1457 of 4096 (1,0,3,1,1,1) R0F-M0-N09-J18
Task 1458 of 4096 (1,0,3,1,1,2) R0F-M0-N09-J18
Task 1459 of 4096 (1,0,3,1,1,3) R0F-M0-N09-J18
Task 1460 of 4096 (1,0,3,1,1,4) R0F-M0-N09-J18
Task 1461 of 4096 (1,0,3,1,1,5) R0F-M0-N09-J18
Task 1462 of 4096 (1,0,3,1,1,6) R0F-M0-N09-J18
Task 1463 of 4096 (1,0,3,1,1,7) R0F-M0-N09-J18
Task 1464 of 4096 (1,0,3,1,1,8) R0F-M0-N09-J18
Task 1465 of 4096 (1,0,3,1,1,9) R0F-M0-N09-J18
Task 1466 of 4096 (1,0,3,1,1,10) R0F-M0-N09-J18
Task 1467 of 4096 (1,0,3,1,1,11) R0F-M0-N09-J18
Task 1468 of 4096 (1,0,3,1,1,12) R0F-M0-N09-J18
Task 1469 of 4096 (1,0,3,1,1,13) R0F-M0-N09-J18
Task 1470 of 4096 (1,0,3,1,1,14) R0F-M0-N09-J18
Task 1471 of 4096 (1,0,3,1,1,15) R0F-M0-N09-J18
Task 1472 of 4096 (1,0,3,2,0,0) R0F-M0-N11-J21
Task 1473 of 4096 (1,0,3,2,0,1) R0F-M0-N11-J21
Task 1474 of 4096 (1,0,3,2,0,2) R0F-M0-N11-J21
Task 1475 of 4096 (1,0,3,2,0,3) R0F-M0-N11-J21
Task 1476 of 4096 (1,0,3,2,0,4) R0F-M0-N11-J21
Task 1477 of 4096 (1,0,3,2,0,5) R0F-M0-N11-J21
Task 1478 of 4096 (1,0,3,2,0,6) R0F-M0-N11-J21
Task 1479 of 4096 (1,0,3,2,0,7) R0F-M0-N11-J21
Task 1480 of 4096 (1,0,3,2,0,8) R0F-M0-N11-J21
Task 1481 of 4096 (1,0,3,2,0,9) R0F-M0-N11-J21
Task 1482 of 4096 (1,0,3,2,0,10) R0F-M0-N11-J21
Task 1483 of 4096 (1,0,3,2,0,11) R0F-M0-N11-J21
Task 1484 of 4096 (1,0,3,2,0,12) R0F-M0-N11-J21
Task 1485 of 4096 (1,0,3,2,0,13) R0F-M0-N11-J21
Task 1486 of 4096 (1,0,3,2,0,14) R0F-M0-N11-J21
Task 1487 of 4096 (1,0,3,2,0,15) R0F-M0-N11-J21
Task 1488 of 4096 (1,0,3,2,1,0) R0F-M0-N11-J18
Task 1489 of 4096 (1,0,3,2,1,1) R0F-M0-N11-J18
Task 1490 of 4096 (1,0,3,2,1,2) R0F-M0-N11-J18
Task 1491 of 4096 (1,0,3,2,1,3) R0F-M0-N11-J18
Task 1492 of 4096 (1,0,3,2,1,4) R0F-M0-N11-J18
Task 1493 of 4096 (1,0,3,2,1,5) R0F-M0-N11-J18
Task 1494 of 4096 (1,0,3,2,1,6) R0F-M0-N11-J18
Task 1495 of 4096 (1,0,3,2,1,7) R0F-M0-N11-J18
Task 1496 of 4096 (1,0,3,2,1,8) R0F-M0-N11-J18
Task 1497 of 4096 (1,0,3,2,1,9) R0F-M0-N11-J18
Task 1498 of 4096 (1,0,3,2,1,10) R0F-M0-N11-J18
Task 1499 of 4096 (1,0,3,2,1,11) R0F-M0-N11-J18
Task 1500 of 4096 (1,0,3,2,1,12) R0F-M0-N11-J18
Task 1501 of 4096 (1,0,3,2,1,13) R0F-M0-N11-J18
Task 1502 of 4096 (1,0,3,2,1,14) R0F-M0-N11-J18
Task 1503 of 4096 (1,0,3,2,1,15) R0F-M0-N11-J18
Task 1504 of 4096 (1,0,3,3,0,0) R0F-M0-N11-J25
Task 1505 of 4096 (1,0,3,3,0,1) R0F-M0-N11-J25
Task 1506 of 4096 (1,0,3,3,0,2) R0F-M0-N11-J25
Task 1507 of 4096 (1,0,3,3,0,3) R0F-M0-N11-J25
Task 1508 of 4096 (1,0,3,3,0,4) R0F-M0-N11-J25
Task 1509 of 4096 (1,0,3,3,0,5) R0F-M0-N11-J25
Task 1510 of 4096 (1,0,3,3,0,6) R0F-M0-N11-J25
Task 1511 of 4096 (1,0,3,3,0,7) R0F-M0-N11-J25
Task 1512 of 4096 (1,0,3,3,0,8) R0F-M0-N11-J25
Task 1513 of 4096 (1,0,3,3,0,9) R0F-M0-N11-J25
Task 1514 of 4096 (1,0,3,3,0,10) R0F-M0-N11-J25
Task 1515 of 4096 (1,0,3,3,0,11) R0F-M0-N11-J25
Task 1516 of 4096 (1,0,3,3,0,12) R0F-M0-N11-J25
Task 1517 of 4096 (1,0,3,3,0,13) R0F-M0-N11-J25
Task 1518 of 4096 (1,0,3,3,0,14) R0F-M0-N11-J25
Task 1519 of 4096 (1,0,3,3,0,15) R0F-M0-N11-J25
Task 1520 of 4096 (1,0,3,3,1,0) R0F-M0-N11-J30
Task 1521 of 4096 (1,0,3,3,1,1) R0F-M0-N11-J30
Task 1522 of 4096 (1,0,3,3,1,2) R0F-M0-N11-J30
Task 1523 of 4096 (1,0,3,3,1,3) R0F-M0-N11-J30
Task 1524 of 4096 (1,0,3,3,1,4) R0F-M0-N11-J30
Task 1525 of 4096 (1,0,3,3,1,5) R0F-M0-N11-J30
Task 1526 of 4096 (1,0,3,3,1,6) R0F-M0-N11-J30
Task 1527 of 4096 (1,0,3,3,1,7) R0F-M0-N11-J30
Task 1528 of 4096 (1,0,3,3,1,8) R0F-M0-N11-J30
Task 1529 of 4096 (1,0,3,3,1,9) R0F-M0-N11-J30
Task 1530 of 4096 (1,0,3,3,1,10) R0F-M0-N11-J30
Task 1531 of 4096 (1,0,3,3,1,11) R0F-M0-N11-J30
Task 1532 of 4096 (1,0,3,3,1,12) R0F-M0-N11-J30
Task 1533 of 4096 (1,0,3,3,1,13) R0F-M0-N11-J30
Task 1534 of 4096 (1,0,3,3,1,14) R0F-M0-N11-J30
Task 1535 of 4096 (1,0,3,3,1,15) R0F-M0-N11-J30
Task 1536 of 4096 (1,1,0,0,0,0) R0F-M0-N08-J26
Task 1537 of 4096 (1,1,0,0,0,1) R0F-M0-N08-J26
Task 1538 of 4096 (1,1,0,0,0,2) R0F-M0-N08-J26
Task 1539 of 4096 (1,1,0,0,0,3) R0F-M0-N08-J26
Task 1540 of 4096 (1,1,0,0,0,4) R0F-M0-N08-J26
Task 1541 of 4096 (1,1,0,0,0,5) R0F-M0-N08-J26
Task 1542 of 4096 (1,1,0,0,0,6) R0F-M0-N08-J26
Task 1543 of 4096 (1,1,0,0,0,7) R0F-M0-N08-J26
Task 1544 of 4096 (1,1,0,0,0,8) R0F-M0-N08-J26
Task 1545 of 4096 (1,1,0,0,0,9) R0F-M0-N08-J26
Task 1546 of 4096 (1,1,0,0,0,10) R0F-M0-N08-J26
Task 1547 of 4096 (1,1,0,0,0,11) R0F-M0-N08-J26
Task 1548 of 4096 (1,1,0,0,0,12) R0F-M0-N08-J26
Task 1549 of 4096 (1,1,0,0,0,13) R0F-M0-N08-J26
Task 1550 of 4096 (1,1,0,0,0,14) R0F-M0-N08-J26
Task 1551 of 4096 (1,1,0,0,0,15) R0F-M0-N08-J26
Task 1552 of 4096 (1,1,0,0,1,0) R0F-M0-N08-J29
Task 1553 of 4096 (1,1,0,0,1,1) R0F-M0-N08-J29
Task 1554 of 4096 (1,1,0,0,1,2) R0F-M0-N08-J29
Task 1555 of 4096 (1,1,0,0,1,3) R0F-M0-N08-J29
Task 1556 of 4096 (1,1,0,0,1,4) R0F-M0-N08-J29
Task 1557 of 4096 (1,1,0,0,1,5) R0F-M0-N08-J29
Task 1558 of 4096 (1,1,0,0,1,6) R0F-M0-N08-J29
Task 1559 of 4096 (1,1,0,0,1,7) R0F-M0-N08-J29
Task 1560 of 4096 (1,1,0,0,1,8) R0F-M0-N08-J29
Task 1561 of 4096 (1,1,0,0,1,9) R0F-M0-N08-J29
Task 1562 of 4096 (1,1,0,0,1,10) R0F-M0-N08-J29
Task 1563 of 4096 (1,1,0,0,1,11) R0F-M0-N08-J29
Task 1564 of 4096 (1,1,0,0,1,12) R0F-M0-N08-J29
Task 1565 of 4096 (1,1,0,0,1,13) R0F-M0-N08-J29
Task 1566 of 4096 (1,1,0,0,1,14) R0F-M0-N08-J29
Task 1567 of 4096 (1,1,0,0,1,15) R0F-M0-N08-J29
Task 1568 of 4096 (1,1,0,1,0,0) R0F-M0-N08-J22
Task 1569 of 4096 (1,1,0,1,0,1) R0F-M0-N08-J22
Task 1570 of 4096 (1,1,0,1,0,2) R0F-M0-N08-J22
Task 1571 of 4096 (1,1,0,1,0,3) R0F-M0-N08-J22
Task 1572 of 4096 (1,1,0,1,0,4) R0F-M0-N08-J22
Task 1573 of 4096 (1,1,0,1,0,5) R0F-M0-N08-J22
Task 1574 of 4096 (1,1,0,1,0,6) R0F-M0-N08-J22
Task 1575 of 4096 (1,1,0,1,0,7) R0F-M0-N08-J22
Task 1576 of 4096 (1,1,0,1,0,8) R0F-M0-N08-J22
Task 1577 of 4096 (1,1,0,1,0,9) R0F-M0-N08-J22
Task 1578 of 4096 (1,1,0,1,0,10) R0F-M0-N08-J22
Task 1579 of 4096 (1,1,0,1,0,11) R0F-M0-N08-J22
Task 1580 of 4096 (1,1,0,1,0,12) R0F-M0-N08-J22
Task 1581 of 4096 (1,1,0,1,0,13) R0F-M0-N08-J22
Task 1582 of 4096 (1,1,0,1,0,14) R0F-M0-N08-J22
Task 1583 of 4096 (1,1,0,1,0,15) R0F-M0-N08-J22
Task 1584 of 4096 (1,1,0,1,1,0) R0F-M0-N08-J17
Task 1585 of 4096 (1,1,0,1,1,1) R0F-M0-N08-J17
Task 1586 of 4096 (1,1,0,1,1,2) R0F-M0-N08-J17
Task 1587 of 4096 (1,1,0,1,1,3) R0F-M0-N08-J17
Task 1588 of 4096 (1,1,0,1,1,4) R0F-M0-N08-J17
Task 1589 of 4096 (1,1,0,1,1,5) R0F-M0-N08-J17
Task 1590 of 4096 (1,1,0,1,1,6) R0F-M0-N08-J17
Task 1591 of 4096 (1,1,0,1,1,7) R0F-M0-N08-J17
Task 1592 of 4096 (1,1,0,1,1,8) R0F-M0-N08-J17
Task 1593 of 4096 (1,1,0,1,1,9) R0F-M0-N08-J17
Task 1594 of 4096 (1,1,0,1,1,10) R0F-M0-N08-J17
Task 1595 of 4096 (1,1,0,1,1,11) R0F-M0-N08-J17
Task 1596 of 4096 (1,1,0,1,1,12) R0F-M0-N08-J17
Task 1597 of 4096 (1,1,0,1,1,13) R0F-M0-N08-J17
Task 1598 of 4096 (1,1,0,1,1,14) R0F-M0-N08-J17
Task 1599 of 4096 (1,1,0,1,1,15) R0F-M0-N08-J17
Task 1600 of 4096 (1,1,0,2,0,0) R0F-M0-N10-J22
Task 1601 of 4096 (1,1,0,2,0,1) R0F-M0-N10-J22
Task 1602 of 4096 (1,1,0,2,0,2) R0F-M0-N10-J22
Task 1603 of 4096 (1,1,0,2,0,3) R0F-M0-N10-J22
Task 1604 of 4096 (1,1,0,2,0,4) R0F-M0-N10-J22
Task 1605 of 4096 (1,1,0,2,0,5) R0F-M0-N10-J22
Task 1606 of 4096 (1,1,0,2,0,6) R0F-M0-N10-J22
Task 1607 of 4096 (1,1,0,2,0,7) R0F-M0-N10-J22
Task 1608 of 4096 (1,1,0,2,0,8) R0F-M0-N10-J22
Task 1609 of 4096 (1,1,0,2,0,9) R0F-M0-N10-J22
Task 1610 of 4096 (1,1,0,2,0,10) R0F-M0-N10-J22
Task 1611 of 4096 (1,1,0,2,0,11) R0F-M0-N10-J22
Task 1612 of 4096 (1,1,0,2,0,12) R0F-M0-N10-J22
Task 1613 of 4096 (1,1,0,2,0,13) R0F-M0-N10-J22
Task 1614 of 4096 (1,1,0,2,0,14) R0F-M0-N10-J22
Task 1615 of 4096 (1,1,0,2,0,15) R0F-M0-N10-J22
Task 1616 of 4096 (1,1,0,2,1,0) R0F-M0-N10-J17
Task 1617 of 4096 (1,1,0,2,1,1) R0F-M0-N10-J17
Task 1618 of 4096 (1,1,0,2,1,2) R0F-M0-N10-J17
Task 1619 of 4096 (1,1,0,2,1,3) R0F-M0-N10-J17
Task 1620 of 4096 (1,1,0,2,1,4) R0F-M0-N10-J17
Task 1621 of 4096 (1,1,0,2,1,5) R0F-M0-N10-J17
Task 1622 of 4096 (1,1,0,2,1,6) R0F-M0-N10-J17
Task 1623 of 4096 (1,1,0,2,1,7) R0F-M0-N10-J17
Task 1624 of 4096 (1,1,0,2,1,8) R0F-M0-N10-J17
Task 1625 of 4096 (1,1,0,2,1,9) R0F-M0-N10-J17
Task 1626 of 4096 (1,1,0,2,1,10) R0F-M0-N10-J17
Task 1627 of 4096 (1,1,0,2,1,11) R0F-M0-N10-J17
Task 1628 of 4096 (1,1,0,2,1,12) R0F-M0-N10-J17
Task 1629 of 4096 (1,1,0,2,1,13) R0F-M0-N10-J17
Task 1630 of 4096 (1,1,0,2,1,14) R0F-M0-N10-J17
Task 1631 of 4096 (1,1,0,2,1,15) R0F-M0-N10-J17
Task 1632 of 4096 (1,1,0,3,0,0) R0F-M0-N10-J26
Task 1633 of 4096 (1,1,0,3,0,1) R0F-M0-N10-J26
Task 1634 of 4096 (1,1,0,3,0,2) R0F-M0-N10-J26
Task 1635 of 4096 (1,1,0,3,0,3) R0F-M0-N10-J26
Task 1636 of 4096 (1,1,0,3,0,4) R0F-M0-N10-J26
Task 1637 of 4096 (1,1,0,3,0,5) R0F-M0-N10-J26
Task 1638 of 4096 (1,1,0,3,0,6) R0F-M0-N10-J26
Task 1639 of 4096 (1,1,0,3,0,7) R0F-M0-N10-J26
Task 1640 of 4096 (1,1,0,3,0,8) R0F-M0-N10-J26
Task 1641 of 4096 (1,1,0,3,0,9) R0F-M0-N10-J26
Task 1642 of 4096 (1,1,0,3,0,10) R0F-M0-N10-J26
Task 1643 of 4096 (1,1,0,3,0,11) R0F-M0-N10-J26
Task 1644 of 4096 (1,1,0,3,0,12) R0F-M0-N10-J26
Task 1645 of 4096 (1,1,0,3,0,13) R0F-M0-N10-J26
Task 1646 of 4096 (1,1,0,3,0,14) R0F-M0-N10-J26
Task 1647 of 4096 (1,1,0,3,0,15) R0F-M0-N10-J26
Task 1648 of 4096 (1,1,0,3,1,0) R0F-M0-N10-J29
Task 1649 of 4096 (1,1,0,3,1,1) R0F-M0-N10-J29
Task 1650 of 4096 (1,1,0,3,1,2) R0F-M0-N10-J29
Task 1651 of 4096 (1,1,0,3,1,3) R0F-M0-N10-J29
Task 1652 of 4096 (1,1,0,3,1,4) R0F-M0-N10-J29
Task 1653 of 4096 (1,1,0,3,1,5) R0F-M0-N10-J29
Task 1654 of 4096 (1,1,0,3,1,6) R0F-M0-N10-J29
Task 1655 of 4096 (1,1,0,3,1,7) R0F-M0-N10-J29
Task 1656 of 4096 (1,1,0,3,1,8) R0F-M0-N10-J29
Task 1657 of 4096 (1,1,0,3,1,9) R0F-M0-N10-J29
Task 1658 of 4096 (1,1,0,3,1,10) R0F-M0-N10-J29
Task 1659 of 4096 (1,1,0,3,1,11) R0F-M0-N10-J29
Task 1660 of 4096 (1,1,0,3,1,12) R0F-M0-N10-J29
Task 1661 of 4096 (1,1,0,3,1,13) R0F-M0-N10-J29
Task 1662 of 4096 (1,1,0,3,1,14) R0F-M0-N10-J29
Task 1663 of 4096 (1,1,0,3,1,15) R0F-M0-N10-J29
Task 1664 of 4096 (1,1,1,0,0,0) R0F-M0-N08-J27
Task 1665 of 4096 (1,1,1,0,0,1) R0F-M0-N08-J27
Task 1666 of 4096 (1,1,1,0,0,2) R0F-M0-N08-J27
Task 1667 of 4096 (1,1,1,0,0,3) R0F-M0-N08-J27
Task 1668 of 4096 (1,1,1,0,0,4) R0F-M0-N08-J27
Task 1669 of 4096 (1,1,1,0,0,5) R0F-M0-N08-J27
Task 1670 of 4096 (1,1,1,0,0,6) R0F-M0-N08-J27
Task 1671 of 4096 (1,1,1,0,0,7) R0F-M0-N08-J27
Task 1672 of 4096 (1,1,1,0,0,8) R0F-M0-N08-J27
Task 1673 of 4096 (1,1,1,0,0,9) R0F-M0-N08-J27
Task 1674 of 4096 (1,1,1,0,0,10) R0F-M0-N08-J27
Task 1675 of 4096 (1,1,1,0,0,11) R0F-M0-N08-J27
Task 1676 of 4096 (1,1,1,0,0,12) R0F-M0-N08-J27
Task 1677 of 4096 (1,1,1,0,0,13) R0F-M0-N08-J27
Task 1678 of 4096 (1,1,1,0,0,14) R0F-M0-N08-J27
Task 1679 of 4096 (1,1,1,0,0,15) R0F-M0-N08-J27
Task 1680 of 4096 (1,1,1,0,1,0) R0F-M0-N08-J28
Task 1681 of 4096 (1,1,1,0,1,1) R0F-M0-N08-J28
Task 1682 of 4096 (1,1,1,0,1,2) R0F-M0-N08-J28
Task 1683 of 4096 (1,1,1,0,1,3) R0F-M0-N08-J28
Task 1684 of 4096 (1,1,1,0,1,4) R0F-M0-N08-J28
Task 1685 of 4096 (1,1,1,0,1,5) R0F-M0-N08-J28
Task 1686 of 4096 (1,1,1,0,1,6) R0F-M0-N08-J28
Task 1687 of 4096 (1,1,1,0,1,7) R0F-M0-N08-J28
Task 1688 of 4096 (1,1,1,0,1,8) R0F-M0-N08-J28
Task 1689 of 4096 (1,1,1,0,1,9) R0F-M0-N08-J28
Task 1690 of 4096 (1,1,1,0,1,10) R0F-M0-N08-J28
Task 1691 of 4096 (1,1,1,0,1,11) R0F-M0-N08-J28
Task 1692 of 4096 (1,1,1,0,1,12) R0F-M0-N08-J28
Task 1693 of 4096 (1,1,1,0,1,13) R0F-M0-N08-J28
Task 1694 of 4096 (1,1,1,0,1,14) R0F-M0-N08-J28
Task 1695 of 4096 (1,1,1,0,1,15) R0F-M0-N08-J28
Task 1696 of 4096 (1,1,1,1,0,0) R0F-M0-N08-J23
Task 1697 of 4096 (1,1,1,1,0,1) R0F-M0-N08-J23
Task 1698 of 4096 (1,1,1,1,0,2) R0F-M0-N08-J23
Task 1699 of 4096 (1,1,1,1,0,3) R0F-M0-N08-J23
Task 1700 of 4096 (1,1,1,1,0,4) R0F-M0-N08-J23
Task 1701 of 4096 (1,1,1,1,0,5) R0F-M0-N08-J23
Task 1702 of 4096 (1,1,1,1,0,6) R0F-M0-N08-J23
Task 1703 of 4096 (1,1,1,1,0,7) R0F-M0-N08-J23
Task 1704 of 4096 (1,1,1,1,0,8) R0F-M0-N08-J23
Task 1705 of 4096 (1,1,1,1,0,9) R0F-M0-N08-J23
Task 1706 of 4096 (1,1,1,1,0,10) R0F-M0-N08-J23
Task 1707 of 4096 (1,1,1,1,0,11) R0F-M0-N08-J23
Task 1708 of 4096 (1,1,1,1,0,12) R0F-M0-N08-J23
Task 1709 of 4096 (1,1,1,1,0,13) R0F-M0-N08-J23
Task 1710 of 4096 (1,1,1,1,0,14) R0F-M0-N08-J23
Task 1711 of 4096 (1,1,1,1,0,15) R0F-M0-N08-J23
Task 1712 of 4096 (1,1,1,1,1,0) R0F-M0-N08-J16
Task 1713 of 4096 (1,1,1,1,1,1) R0F-M0-N08-J16
Task 1714 of 4096 (1,1,1,1,1,2) R0F-M0-N08-J16
Task 1715 of 4096 (1,1,1,1,1,3) R0F-M0-N08-J16
Task 1716 of 4096 (1,1,1,1,1,4) R0F-M0-N08-J16
Task 1717 of 4096 (1,1,1,1,1,5) R0F-M0-N08-J16
Task 1718 of 4096 (1,1,1,1,1,6) R0F-M0-N08-J16
Task 1719 of 4096 (1,1,1,1,1,7) R0F-M0-N08-J16
Task 1720 of 4096 (1,1,1,1,1,8) R0F-M0-N08-J16
Task 1721 of 4096 (1,1,1,1,1,9) R0F-M0-N08-J16
Task 1722 of 4096 (1,1,1,1,1,10) R0F-M0-N08-J16
Task 1723 of 4096 (1,1,1,1,1,11) R0F-M0-N08-J16
Task 1724 of 4096 (1,1,1,1,1,12) R0F-M0-N08-J16
Task 1725 of 4096 (1,1,1,1,1,13) R0F-M0-N08-J16
Task 1726 of 4096 (1,1,1,1,1,14) R0F-M0-N08-J16
Task 1727 of 4096 (1,1,1,1,1,15) R0F-M0-N08-J16
Task 1728 of 4096 (1,1,1,2,0,0) R0F-M0-N10-J23
Task 1729 of 4096 (1,1,1,2,0,1) R0F-M0-N10-J23
Task 1730 of 4096 (1,1,1,2,0,2) R0F-M0-N10-J23
Task 1731 of 4096 (1,1,1,2,0,3) R0F-M0-N10-J23
Task 1732 of 4096 (1,1,1,2,0,4) R0F-M0-N10-J23
Task 1733 of 4096 (1,1,1,2,0,5) R0F-M0-N10-J23
Task 1734 of 4096 (1,1,1,2,0,6) R0F-M0-N10-J23
Task 1735 of 4096 (1,1,1,2,0,7) R0F-M0-N10-J23
Task 1736 of 4096 (1,1,1,2,0,8) R0F-M0-N10-J23
Task 1737 of 4096 (1,1,1,2,0,9) R0F-M0-N10-J23
Task 1738 of 4096 (1,1,1,2,0,10) R0F-M0-N10-J23
Task 1739 of 4096 (1,1,1,2,0,11) R0F-M0-N10-J23
Task 1740 of 4096 (1,1,1,2,0,12) R0F-M0-N10-J23
Task 1741 of 4096 (1,1,1,2,0,13) R0F-M0-N10-J23
Task 1742 of 4096 (1,1,1,2,0,14) R0F-M0-N10-J23
Task 1743 of 4096 (1,1,1,2,0,15) R0F-M0-N10-J23
Task 1744 of 4096 (1,1,1,2,1,0) R0F-M0-N10-J16
Task 1745 of 4096 (1,1,1,2,1,1) R0F-M0-N10-J16
Task 1746 of 4096 (1,1,1,2,1,2) R0F-M0-N10-J16
Task 1747 of 4096 (1,1,1,2,1,3) R0F-M0-N10-J16
Task 1748 of 4096 (1,1,1,2,1,4) R0F-M0-N10-J16
Task 1749 of 4096 (1,1,1,2,1,5) R0F-M0-N10-J16
Task 1750 of 4096 (1,1,1,2,1,6) R0F-M0-N10-J16
Task 1751 of 4096 (1,1,1,2,1,7) R0F-M0-N10-J16
Task 1752 of 4096 (1,1,1,2,1,8) R0F-M0-N10-J16
Task 1753 of 4096 (1,1,1,2,1,9) R0F-M0-N10-J16
Task 1754 of 4096 (1,1,1,2,1,10) R0F-M0-N10-J16
Task 1755 of 4096 (1,1,1,2,1,11) R0F-M0-N10-J16
Task 1756 of 4096 (1,1,1,2,1,12) R0F-M0-N10-J16
Task 1757 of 4096 (1,1,1,2,1,13) R0F-M0-N10-J16
Task 1758 of 4096 (1,1,1,2,1,14) R0F-M0-N10-J16
Task 1759 of 4096 (1,1,1,2,1,15) R0F-M0-N10-J16
Task 1760 of 4096 (1,1,1,3,0,0) R0F-M0-N10-J27
Task 1761 of 4096 (1,1,1,3,0,1) R0F-M0-N10-J27
Task 1762 of 4096 (1,1,1,3,0,2) R0F-M0-N10-J27
Task 1763 of 4096 (1,1,1,3,0,3) R0F-M0-N10-J27
Task 1764 of 4096 (1,1,1,3,0,4) R0F-M0-N10-J27
Task 1765 of 4096 (1,1,1,3,0,5) R0F-M0-N10-J27
Task 1766 of 4096 (1,1,1,3,0,6) R0F-M0-N10-J27
Task 1767 of 4096 (1,1,1,3,0,7) R0F-M0-N10-J27
Task 1768 of 4096 (1,1,1,3,0,8) R0F-M0-N10-J27
Task 1769 of 4096 (1,1,1,3,0,9) R0F-M0-N10-J27
Task 1770 of 4096 (1,1,1,3,0,10) R0F-M0-N10-J27
Task 1771 of 4096 (1,1,1,3,0,11) R0F-M0-N10-J27
Task 1772 of 4096 (1,1,1,3,0,12) R0F-M0-N10-J27
Task 1773 of 4096 (1,1,1,3,0,13) R0F-M0-N10-J27
Task 1774 of 4096 (1,1,1,3,0,14) R0F-M0-N10-J27
Task 1775 of 4096 (1,1,1,3,0,15) R0F-M0-N10-J27
Task 1776 of 4096 (1,1,1,3,1,0) R0F-M0-N10-J28
Task 1777 of 4096 (1,1,1,3,1,1) R0F-M0-N10-J28
Task 1778 of 4096 (1,1,1,3,1,2) R0F-M0-N10-J28
Task 1779 of 4096 (1,1,1,3,1,3) R0F-M0-N10-J28
Task 1780 of 4096 (1,1,1,3,1,4) R0F-M0-N10-J28
Task 1781 of 4096 (1,1,1,3,1,5) R0F-M0-N10-J28
Task 1782 of 4096 (1,1,1,3,1,6) R0F-M0-N10-J28
Task 1783 of 4096 (1,1,1,3,1,7) R0F-M0-N10-J28
Task 1784 of 4096 (1,1,1,3,1,8) R0F-M0-N10-J28
Task 1785 of 4096 (1,1,1,3,1,9) R0F-M0-N10-J28
Task 1786 of 4096 (1,1,1,3,1,10) R0F-M0-N10-J28
Task 1787 of 4096 (1,1,1,3,1,11) R0F-M0-N10-J28
Task 1788 of 4096 (1,1,1,3,1,12) R0F-M0-N10-J28
Task 1789 of 4096 (1,1,1,3,1,13) R0F-M0-N10-J28
Task 1790 of 4096 (1,1,1,3,1,14) R0F-M0-N10-J28
Task 1791 of 4096 (1,1,1,3,1,15) R0F-M0-N10-J28
Task 1792 of 4096 (1,1,2,0,0,0) R0F-M0-N09-J27
Task 1793 of 4096 (1,1,2,0,0,1) R0F-M0-N09-J27
Task 1794 of 4096 (1,1,2,0,0,2) R0F-M0-N09-J27
Task 1795 of 4096 (1,1,2,0,0,3) R0F-M0-N09-J27
Task 1796 of 4096 (1,1,2,0,0,4) R0F-M0-N09-J27
Task 1797 of 4096 (1,1,2,0,0,5) R0F-M0-N09-J27
Task 1798 of 4096 (1,1,2,0,0,6) R0F-M0-N09-J27
Task 1799 of 4096 (1,1,2,0,0,7) R0F-M0-N09-J27
Task 1800 of 4096 (1,1,2,0,0,8) R0F-M0-N09-J27
Task 1801 of 4096 (1,1,2,0,0,9) R0F-M0-N09-J27
Task 1802 of 4096 (1,1,2,0,0,10) R0F-M0-N09-J27
Task 1803 of 4096 (1,1,2,0,0,11) R0F-M0-N09-J27
Task 1804 of 4096 (1,1,2,0,0,12) R0F-M0-N09-J27
Task 1805 of 4096 (1,1,2,0,0,13) R0F-M0-N09-J27
Task 1806 of 4096 (1,1,2,0,0,14) R0F-M0-N09-J27
Task 1807 of 4096 (1,1,2,0,0,15) R0F-M0-N09-J27
Task 1808 of 4096 (1,1,2,0,1,0) R0F-M0-N09-J28
Task 1809 of 4096 (1,1,2,0,1,1) R0F-M0-N09-J28
Task 1810 of 4096 (1,1,2,0,1,2) R0F-M0-N09-J28
Task 1811 of 4096 (1,1,2,0,1,3) R0F-M0-N09-J28
Task 1812 of 4096 (1,1,2,0,1,4) R0F-M0-N09-J28
Task 1813 of 4096 (1,1,2,0,1,5) R0F-M0-N09-J28
Task 1814 of 4096 (1,1,2,0,1,6) R0F-M0-N09-J28
Task 1815 of 4096 (1,1,2,0,1,7) R0F-M0-N09-J28
Task 1816 of 4096 (1,1,2,0,1,8) R0F-M0-N09-J28
Task 1817 of 4096 (1,1,2,0,1,9) R0F-M0-N09-J28
Task 1818 of 4096 (1,1,2,0,1,10) R0F-M0-N09-J28
Task 1819 of 4096 (1,1,2,0,1,11) R0F-M0-N09-J28
Task 1820 of 4096 (1,1,2,0,1,12) R0F-M0-N09-J28
Task 1821 of 4096 (1,1,2,0,1,13) R0F-M0-N09-J28
Task 1822 of 4096 (1,1,2,0,1,14) R0F-M0-N09-J28
Task 1823 of 4096 (1,1,2,0,1,15) R0F-M0-N09-J28
Task 1824 of 4096 (1,1,2,1,0,0) R0F-M0-N09-J23
Task 1825 of 4096 (1,1,2,1,0,1) R0F-M0-N09-J23
Task 1826 of 4096 (1,1,2,1,0,2) R0F-M0-N09-J23
Task 1827 of 4096 (1,1,2,1,0,3) R0F-M0-N09-J23
Task 1828 of 4096 (1,1,2,1,0,4) R0F-M0-N09-J23
Task 1829 of 4096 (1,1,2,1,0,5) R0F-M0-N09-J23
Task 1830 of 4096 (1,1,2,1,0,6) R0F-M0-N09-J23
Task 1831 of 4096 (1,1,2,1,0,7) R0F-M0-N09-J23
Task 1832 of 4096 (1,1,2,1,0,8) R0F-M0-N09-J23
Task 1833 of 4096 (1,1,2,1,0,9) R0F-M0-N09-J23
Task 1834 of 4096 (1,1,2,1,0,10) R0F-M0-N09-J23
Task 1835 of 4096 (1,1,2,1,0,11) R0F-M0-N09-J23
Task 1836 of 4096 (1,1,2,1,0,12) R0F-M0-N09-J23
Task 1837 of 4096 (1,1,2,1,0,13) R0F-M0-N09-J23
Task 1838 of 4096 (1,1,2,1,0,14) R0F-M0-N09-J23
Task 1839 of 4096 (1,1,2,1,0,15) R0F-M0-N09-J23
Task 1840 of 4096 (1,1,2,1,1,0) R0F-M0-N09-J16
Task 1841 of 4096 (1,1,2,1,1,1) R0F-M0-N09-J16
Task 1842 of 4096 (1,1,2,1,1,2) R0F-M0-N09-J16
Task 1843 of 4096 (1,1,2,1,1,3) R0F-M0-N09-J16
Task 1844 of 4096 (1,1,2,1,1,4) R0F-M0-N09-J16
Task 1845 of 4096 (1,1,2,1,1,5) R0F-M0-N09-J16
Task 1846 of 4096 (1,1,2,1,1,6) R0F-M0-N09-J16
Task 1847 of 4096 (1,1,2,1,1,7) R0F-M0-N09-J16
Task 1848 of 4096 (1,1,2,1,1,8) R0F-M0-N09-J16
Task 1849 of 4096 (1,1,2,1,1,9) R0F-M0-N09-J16
Task 1850 of 4096 (1,1,2,1,1,10) R0F-M0-N09-J16
Task 1851 of 4096 (1,1,2,1,1,11) R0F-M0-N09-J16
Task 1852 of 4096 (1,1,2,1,1,12) R0F-M0-N09-J16
Task 1853 of 4096 (1,1,2,1,1,13) R0F-M0-N09-J16
Task 1854 of 4096 (1,1,2,1,1,14) R0F-M0-N09-J16
Task 1855 of 4096 (1,1,2,1,1,15) R0F-M0-N09-J16
Task 1856 of 4096 (1,1,2,2,0,0) R0F-M0-N11-J23
Task 1857 of 4096 (1,1,2,2,0,1) R0F-M0-N11-J23
Task 1858 of 4096 (1,1,2,2,0,2) R0F-M0-N11-J23
Task 1859 of 4096 (1,1,2,2,0,3) R0F-M0-N11-J23
Task 1860 of 4096 (1,1,2,2,0,4) R0F-M0-N11-J23
Task 1861 of 4096 (1,1,2,2,0,5) R0F-M0-N11-J23
Task 1862 of 4096 (1,1,2,2,0,6) R0F-M0-N11-J23
Task 1863 of 4096 (1,1,2,2,0,7) R0F-M0-N11-J23
Task 1864 of 4096 (1,1,2,2,0,8) R0F-M0-N11-J23
Task 1865 of 4096 (1,1,2,2,0,9) R0F-M0-N11-J23
Task 1866 of 4096 (1,1,2,2,0,10) R0F-M0-N11-J23
Task 1867 of 4096 (1,1,2,2,0,11) R0F-M0-N11-J23
Task 1868 of 4096 (1,1,2,2,0,12) R0F-M0-N11-J23
Task 1869 of 4096 (1,1,2,2,0,13) R0F-M0-N11-J23
Task 1870 of 4096 (1,1,2,2,0,14) R0F-M0-N11-J23
Task 1871 of 4096 (1,1,2,2,0,15) R0F-M0-N11-J23
Task 1872 of 4096 (1,1,2,2,1,0) R0F-M0-N11-J16
Task 1873 of 4096 (1,1,2,2,1,1) R0F-M0-N11-J16
Task 1874 of 4096 (1,1,2,2,1,2) R0F-M0-N11-J16
Task 1875 of 4096 (1,1,2,2,1,3) R0F-M0-N11-J16
Task 1876 of 4096 (1,1,2,2,1,4) R0F-M0-N11-J16
Task 1877 of 4096 (1,1,2,2,1,5) R0F-M0-N11-J16
Task 1878 of 4096 (1,1,2,2,1,6) R0F-M0-N11-J16
Task 1879 of 4096 (1,1,2,2,1,7) R0F-M0-N11-J16
Task 1880 of 4096 (1,1,2,2,1,8) R0F-M0-N11-J16
Task 1881 of 4096 (1,1,2,2,1,9) R0F-M0-N11-J16
Task 1882 of 4096 (1,1,2,2,1,10) R0F-M0-N11-J16
Task 1883 of 4096 (1,1,2,2,1,11) R0F-M0-N11-J16
Task 1884 of 4096 (1,1,2,2,1,12) R0F-M0-N11-J16
Task 1885 of 4096 (1,1,2,2,1,13) R0F-M0-N11-J16
Task 1886 of 4096 (1,1,2,2,1,14) R0F-M0-N11-J16
Task 1887 of 4096 (1,1,2,2,1,15) R0F-M0-N11-J16
Task 1888 of 4096 (1,1,2,3,0,0) R0F-M0-N11-J27
Task 1889 of 4096 (1,1,2,3,0,1) R0F-M0-N11-J27
Task 1890 of 4096 (1,1,2,3,0,2) R0F-M0-N11-J27
Task 1891 of 4096 (1,1,2,3,0,3) R0F-M0-N11-J27
Task 1892 of 4096 (1,1,2,3,0,4) R0F-M0-N11-J27
Task 1893 of 4096 (1,1,2,3,0,5) R0F-M0-N11-J27
Task 1894 of 4096 (1,1,2,3,0,6) R0F-M0-N11-J27
Task 1895 of 4096 (1,1,2,3,0,7) R0F-M0-N11-J27
Task 1896 of 4096 (1,1,2,3,0,8) R0F-M0-N11-J27
Task 1897 of 4096 (1,1,2,3,0,9) R0F-M0-N11-J27
Task 1898 of 4096 (1,1,2,3,0,10) R0F-M0-N11-J27
Task 1899 of 4096 (1,1,2,3,0,11) R0F-M0-N11-J27
Task 1900 of 4096 (1,1,2,3,0,12) R0F-M0-N11-J27
Task 1901 of 4096 (1,1,2,3,0,13) R0F-M0-N11-J27
Task 1902 of 4096 (1,1,2,3,0,14) R0F-M0-N11-J27
Task 1903 of 4096 (1,1,2,3,0,15) R0F-M0-N11-J27
Task 1904 of 4096 (1,1,2,3,1,0) R0F-M0-N11-J28
Task 1905 of 4096 (1,1,2,3,1,1) R0F-M0-N11-J28
Task 1906 of 4096 (1,1,2,3,1,2) R0F-M0-N11-J28
Task 1907 of 4096 (1,1,2,3,1,3) R0F-M0-N11-J28
Task 1908 of 4096 (1,1,2,3,1,4) R0F-M0-N11-J28
Task 1909 of 4096 (1,1,2,3,1,5) R0F-M0-N11-J28
Task 1910 of 4096 (1,1,2,3,1,6) R0F-M0-N11-J28
Task 1911 of 4096 (1,1,2,3,1,7) R0F-M0-N11-J28
Task 1912 of 4096 (1,1,2,3,1,8) R0F-M0-N11-J28
Task 1913 of 4096 (1,1,2,3,1,9) R0F-M0-N11-J28
Task 1914 of 4096 (1,1,2,3,1,10) R0F-M0-N11-J28
Task 1915 of 4096 (1,1,2,3,1,11) R0F-M0-N11-J28
Task 1916 of 4096 (1,1,2,3,1,12) R0F-M0-N11-J28
Task 1917 of 4096 (1,1,2,3,1,13) R0F-M0-N11-J28
Task 1918 of 4096 (1,1,2,3,1,14) R0F-M0-N11-J28
Task 1919 of 4096 (1,1,2,3,1,15) R0F-M0-N11-J28
Task 1920 of 4096 (1,1,3,0,0,0) R0F-M0-N09-J26
Task 1921 of 4096 (1,1,3,0,0,1) R0F-M0-N09-J26
Task 1922 of 4096 (1,1,3,0,0,2) R0F-M0-N09-J26
Task 1923 of 4096 (1,1,3,0,0,3) R0F-M0-N09-J26
Task 1924 of 4096 (1,1,3,0,0,4) R0F-M0-N09-J26
Task 1925 of 4096 (1,1,3,0,0,5) R0F-M0-N09-J26
Task 1926 of 4096 (1,1,3,0,0,6) R0F-M0-N09-J26
Task 1927 of 4096 (1,1,3,0,0,7) R0F-M0-N09-J26
Task 1928 of 4096 (1,1,3,0,0,8) R0F-M0-N09-J26
Task 1929 of 4096 (1,1,3,0,0,9) R0F-M0-N09-J26
Task 1930 of 4096 (1,1,3,0,0,10) R0F-M0-N09-J26
Task 1931 of 4096 (1,1,3,0,0,11) R0F-M0-N09-J26
Task 1932 of 4096 (1,1,3,0,0,12) R0F-M0-N09-J26
Task 1933 of 4096 (1,1,3,0,0,13) R0F-M0-N09-J26
Task 1934 of 4096 (1,1,3,0,0,14) R0F-M0-N09-J26
Task 1935 of 4096 (1,1,3,0,0,15) R0F-M0-N09-J26
Task 1936 of 4096 (1,1,3,0,1,0) R0F-M0-N09-J29
Task 1937 of 4096 (1,1,3,0,1,1) R0F-M0-N09-J29
Task 1938 of 4096 (1,1,3,0,1,2) R0F-M0-N09-J29
Task 1939 of 4096 (1,1,3,0,1,3) R0F-M0-N09-J29
Task 1940 of 4096 (1,1,3,0,1,4) R0F-M0-N09-J29
Task 1941 of 4096 (1,1,3,0,1,5) R0F-M0-N09-J29
Task 1942 of 4096 (1,1,3,0,1,6) R0F-M0-N09-J29
Task 1943 of 4096 (1,1,3,0,1,7) R0F-M0-N09-J29
Task 1944 of 4096 (1,1,3,0,1,8) R0F-M0-N09-J29
Task 1945 of 4096 (1,1,3,0,1,9) R0F-M0-N09-J29
Task 1946 of 4096 (1,1,3,0,1,10) R0F-M0-N09-J29
Task 1947 of 4096 (1,1,3,0,1,11) R0F-M0-N09-J29
Task 1948 of 4096 (1,1,3,0,1,12) R0F-M0-N09-J29
Task 1949 of 4096 (1,1,3,0,1,13) R0F-M0-N09-J29
Task 1950 of 4096 (1,1,3,0,1,14) R0F-M0-N09-J29
Task 1951 of 4096 (1,1,3,0,1,15) R0F-M0-N09-J29
Task 1952 of 4096 (1,1,3,1,0,0) R0F-M0-N09-J22
Task 1953 of 4096 (1,1,3,1,0,1) R0F-M0-N09-J22
Task 1954 of 4096 (1,1,3,1,0,2) R0F-M0-N09-J22
Task 1955 of 4096 (1,1,3,1,0,3) R0F-M0-N09-J22
Task 1956 of 4096 (1,1,3,1,0,4) R0F-M0-N09-J22
Task 1957 of 4096 (1,1,3,1,0,5) R0F-M0-N09-J22
Task 1958 of 4096 (1,1,3,1,0,6) R0F-M0-N09-J22
Task 1959 of 4096 (1,1,3,1,0,7) R0F-M0-N09-J22
Task 1960 of 4096 (1,1,3,1,0,8) R0F-M0-N09-J22
Task 1961 of 4096 (1,1,3,1,0,9) R0F-M0-N09-J22
Task 1962 of 4096 (1,1,3,1,0,10) R0F-M0-N09-J22
Task 1963 of 4096 (1,1,3,1,0,11) R0F-M0-N09-J22
Task 1964 of 4096 (1,1,3,1,0,12) R0F-M0-N09-J22
Task 1965 of 4096 (1,1,3,1,0,13) R0F-M0-N09-J22
Task 1966 of 4096 (1,1,3,1,0,14) R0F-M0-N09-J22
Task 1967 of 4096 (1,1,3,1,0,15) R0F-M0-N09-J22
Task 1968 of 4096 (1,1,3,1,1,0) R0F-M0-N09-J17
Task 1969 of 4096 (1,1,3,1,1,1) R0F-M0-N09-J17
Task 1970 of 4096 (1,1,3,1,1,2) R0F-M0-N09-J17
Task 1971 of 4096 (1,1,3,1,1,3) R0F-M0-N09-J17
Task 1972 of 4096 (1,1,3,1,1,4) R0F-M0-N09-J17
Task 1973 of 4096 (1,1,3,1,1,5) R0F-M0-N09-J17
Task 1974 of 4096 (1,1,3,1,1,6) R0F-M0-N09-J17
Task 1975 of 4096 (1,1,3,1,1,7) R0F-M0-N09-J17
Task 1976 of 4096 (1,1,3,1,1,8) R0F-M0-N09-J17
Task 1977 of 4096 (1,1,3,1,1,9) R0F-M0-N09-J17
Task 1978 of 4096 (1,1,3,1,1,10) R0F-M0-N09-J17
Task 1979 of 4096 (1,1,3,1,1,11) R0F-M0-N09-J17
Task 1980 of 4096 (1,1,3,1,1,12) R0F-M0-N09-J17
Task 1981 of 4096 (1,1,3,1,1,13) R0F-M0-N09-J17
Task 1982 of 4096 (1,1,3,1,1,14) R0F-M0-N09-J17
Task 1983 of 4096 (1,1,3,1,1,15) R0F-M0-N09-J17
Task 1984 of 4096 (1,1,3,2,0,0) R0F-M0-N11-J22
Task 1985 of 4096 (1,1,3,2,0,1) R0F-M0-N11-J22
Task 1986 of 4096 (1,1,3,2,0,2) R0F-M0-N11-J22
Task 1987 of 4096 (1,1,3,2,0,3) R0F-M0-N11-J22
Task 1988 of 4096 (1,1,3,2,0,4) R0F-M0-N11-J22
Task 1989 of 4096 (1,1,3,2,0,5) R0F-M0-N11-J22
Task 1990 of 4096 (1,1,3,2,0,6) R0F-M0-N11-J22
Task 1991 of 4096 (1,1,3,2,0,7) R0F-M0-N11-J22
Task 1992 of 4096 (1,1,3,2,0,8) R0F-M0-N11-J22
Task 1993 of 4096 (1,1,3,2,0,9) R0F-M0-N11-J22
Task 1994 of 4096 (1,1,3,2,0,10) R0F-M0-N11-J22
Task 1995 of 4096 (1,1,3,2,0,11) R0F-M0-N11-J22
Task 1996 of 4096 (1,1,3,2,0,12) R0F-M0-N11-J22
Task 1997 of 4096 (1,1,3,2,0,13) R0F-M0-N11-J22
Task 1998 of 4096 (1,1,3,2,0,14) R0F-M0-N11-J22
Task 1999 of 4096 (1,1,3,2,0,15) R0F-M0-N11-J22
Task 2000 of 4096 (1,1,3,2,1,0) R0F-M0-N11-J17
Task 2001 of 4096 (1,1,3,2,1,1) R0F-M0-N11-J17
Task 2002 of 4096 (1,1,3,2,1,2) R0F-M0-N11-J17
Task 2003 of 4096 (1,1,3,2,1,3) R0F-M0-N11-J17
Task 2004 of 4096 (1,1,3,2,1,4) R0F-M0-N11-J17
Task 2005 of 4096 (1,1,3,2,1,5) R0F-M0-N11-J17
Task 2006 of 4096 (1,1,3,2,1,6) R0F-M0-N11-J17
Task 2007 of 4096 (1,1,3,2,1,7) R0F-M0-N11-J17
Task 2008 of 4096 (1,1,3,2,1,8) R0F-M0-N11-J17
Task 2009 of 4096 (1,1,3,2,1,9) R0F-M0-N11-J17
Task 2010 of 4096 (1,1,3,2,1,10) R0F-M0-N11-J17
Task 2011 of 4096 (1,1,3,2,1,11) R0F-M0-N11-J17
Task 2012 of 4096 (1,1,3,2,1,12) R0F-M0-N11-J17
Task 2013 of 4096 (1,1,3,2,1,13) R0F-M0-N11-J17
Task 2014 of 4096 (1,1,3,2,1,14) R0F-M0-N11-J17
Task 2015 of 4096 (1,1,3,2,1,15) R0F-M0-N11-J17
Task 2016 of 4096 (1,1,3,3,0,0) R0F-M0-N11-J26
Task 2017 of 4096 (1,1,3,3,0,1) R0F-M0-N11-J26
Task 2018 of 4096 (1,1,3,3,0,2) R0F-M0-N11-J26
Task 2019 of 4096 (1,1,3,3,0,3) R0F-M0-N11-J26
Task 2020 of 4096 (1,1,3,3,0,4) R0F-M0-N11-J26
Task 2021 of 4096 (1,1,3,3,0,5) R0F-M0-N11-J26
Task 2022 of 4096 (1,1,3,3,0,6) R0F-M0-N11-J26
Task 2023 of 4096 (1,1,3,3,0,7) R0F-M0-N11-J26
Task 2024 of 4096 (1,1,3,3,0,8) R0F-M0-N11-J26
Task 2025 of 4096 (1,1,3,3,0,9) R0F-M0-N11-J26
Task 2026 of 4096 (1,1,3,3,0,10) R0F-M0-N11-J26
Task 2027 of 4096 (1,1,3,3,0,11) R0F-M0-N11-J26
Task 2028 of 4096 (1,1,3,3,0,12) R0F-M0-N11-J26
Task 2029 of 4096 (1,1,3,3,0,13) R0F-M0-N11-J26
Task 2030 of 4096 (1,1,3,3,0,14) R0F-M0-N11-J26
Task 2031 of 4096 (1,1,3,3,0,15) R0F-M0-N11-J26
Task 2032 of 4096 (1,1,3,3,1,0) R0F-M0-N11-J29
Task 2033 of 4096 (1,1,3,3,1,1) R0F-M0-N11-J29
Task 2034 of 4096 (1,1,3,3,1,2) R0F-M0-N11-J29
Task 2035 of 4096 (1,1,3,3,1,3) R0F-M0-N11-J29
Task 2036 of 4096 (1,1,3,3,1,4) R0F-M0-N11-J29
Task 2037 of 4096 (1,1,3,3,1,5) R0F-M0-N11-J29
Task 2038 of 4096 (1,1,3,3,1,6) R0F-M0-N11-J29
Task 2039 of 4096 (1,1,3,3,1,7) R0F-M0-N11-J29
Task 2040 of 4096 (1,1,3,3,1,8) R0F-M0-N11-J29
Task 2041 of 4096 (1,1,3,3,1,9) R0F-M0-N11-J29
Task 2042 of 4096 (1,1,3,3,1,10) R0F-M0-N11-J29
Task 2043 of 4096 (1,1,3,3,1,11) R0F-M0-N11-J29
Task 2044 of 4096 (1,1,3,3,1,12) R0F-M0-N11-J29
Task 2045 of 4096 (1,1,3,3,1,13) R0F-M0-N11-J29
Task 2046 of 4096 (1,1,3,3,1,14) R0F-M0-N11-J29
Task 2047 of 4096 (1,1,3,3,1,15) R0F-M0-N11-J29
Task 2048 of 4096 (2,0,0,0,0,0) R0F-M0-N12-J25
Task 2049 of 4096 (2,0,0,0,0,1) R0F-M0-N12-J25
Task 2050 of 4096 (2,0,0,0,0,2) R0F-M0-N12-J25
Task 2051 of 4096 (2,0,0,0,0,3) R0F-M0-N12-J25
Task 2052 of 4096 (2,0,0,0,0,4) R0F-M0-N12-J25
Task 2053 of 4096 (2,0,0,0,0,5) R0F-M0-N12-J25
Task 2054 of 4096 (2,0,0,0,0,6) R0F-M0-N12-J25
Task 2055 of 4096 (2,0,0,0,0,7) R0F-M0-N12-J25
Task 2056 of 4096 (2,0,0,0,0,8) R0F-M0-N12-J25
Task 2057 of 4096 (2,0,0,0,0,9) R0F-M0-N12-J25
Task 2058 of 4096 (2,0,0,0,0,10) R0F-M0-N12-J25
Task 2059 of 4096 (2,0,0,0,0,11) R0F-M0-N12-J25
Task 2060 of 4096 (2,0,0,0,0,12) R0F-M0-N12-J25
Task 2061 of 4096 (2,0,0,0,0,13) R0F-M0-N12-J25
Task 2062 of 4096 (2,0,0,0,0,14) R0F-M0-N12-J25
Task 2063 of 4096 (2,0,0,0,0,15) R0F-M0-N12-J25
Task 2064 of 4096 (2,0,0,0,1,0) R0F-M0-N12-J30
Task 2065 of 4096 (2,0,0,0,1,1) R0F-M0-N12-J30
Task 2066 of 4096 (2,0,0,0,1,2) R0F-M0-N12-J30
Task 2067 of 4096 (2,0,0,0,1,3) R0F-M0-N12-J30
Task 2068 of 4096 (2,0,0,0,1,4) R0F-M0-N12-J30
Task 2069 of 4096 (2,0,0,0,1,5) R0F-M0-N12-J30
Task 2070 of 4096 (2,0,0,0,1,6) R0F-M0-N12-J30
Task 2071 of 4096 (2,0,0,0,1,7) R0F-M0-N12-J30
Task 2072 of 4096 (2,0,0,0,1,8) R0F-M0-N12-J30
Task 2073 of 4096 (2,0,0,0,1,9) R0F-M0-N12-J30
Task 2074 of 4096 (2,0,0,0,1,10) R0F-M0-N12-J30
Task 2075 of 4096 (2,0,0,0,1,11) R0F-M0-N12-J30
Task 2076 of 4096 (2,0,0,0,1,12) R0F-M0-N12-J30
Task 2077 of 4096 (2,0,0,0,1,13) R0F-M0-N12-J30
Task 2078 of 4096 (2,0,0,0,1,14) R0F-M0-N12-J30
Task 2079 of 4096 (2,0,0,0,1,15) R0F-M0-N12-J30
Task 2080 of 4096 (2,0,0,1,0,0) R0F-M0-N12-J21
Task 2081 of 4096 (2,0,0,1,0,1) R0F-M0-N12-J21
Task 2082 of 4096 (2,0,0,1,0,2) R0F-M0-N12-J21
Task 2083 of 4096 (2,0,0,1,0,3) R0F-M0-N12-J21
Task 2084 of 4096 (2,0,0,1,0,4) R0F-M0-N12-J21
Task 2085 of 4096 (2,0,0,1,0,5) R0F-M0-N12-J21
Task 2086 of 4096 (2,0,0,1,0,6) R0F-M0-N12-J21
Task 2087 of 4096 (2,0,0,1,0,7) R0F-M0-N12-J21
Task 2088 of 4096 (2,0,0,1,0,8) R0F-M0-N12-J21
Task 2089 of 4096 (2,0,0,1,0,9) R0F-M0-N12-J21
Task 2090 of 4096 (2,0,0,1,0,10) R0F-M0-N12-J21
Task 2091 of 4096 (2,0,0,1,0,11) R0F-M0-N12-J21
Task 2092 of 4096 (2,0,0,1,0,12) R0F-M0-N12-J21
Task 2093 of 4096 (2,0,0,1,0,13) R0F-M0-N12-J21
Task 2094 of 4096 (2,0,0,1,0,14) R0F-M0-N12-J21
Task 2095 of 4096 (2,0,0,1,0,15) R0F-M0-N12-J21
Task 2096 of 4096 (2,0,0,1,1,0) R0F-M0-N12-J18
Task 2097 of 4096 (2,0,0,1,1,1) R0F-M0-N12-J18
Task 2098 of 4096 (2,0,0,1,1,2) R0F-M0-N12-J18
Task 2099 of 4096 (2,0,0,1,1,3) R0F-M0-N12-J18
Task 2100 of 4096 (2,0,0,1,1,4) R0F-M0-N12-J18
Task 2101 of 4096 (2,0,0,1,1,5) R0F-M0-N12-J18
Task 2102 of 4096 (2,0,0,1,1,6) R0F-M0-N12-J18
Task 2103 of 4096 (2,0,0,1,1,7) R0F-M0-N12-J18
Task 2104 of 4096 (2,0,0,1,1,8) R0F-M0-N12-J18
Task 2105 of 4096 (2,0,0,1,1,9) R0F-M0-N12-J18
Task 2106 of 4096 (2,0,0,1,1,10) R0F-M0-N12-J18
Task 2107 of 4096 (2,0,0,1,1,11) R0F-M0-N12-J18
Task 2108 of 4096 (2,0,0,1,1,12) R0F-M0-N12-J18
Task 2109 of 4096 (2,0,0,1,1,13) R0F-M0-N12-J18
Task 2110 of 4096 (2,0,0,1,1,14) R0F-M0-N12-J18
Task 2111 of 4096 (2,0,0,1,1,15) R0F-M0-N12-J18
Task 2112 of 4096 (2,0,0,2,0,0) R0F-M0-N14-J21
Task 2113 of 4096 (2,0,0,2,0,1) R0F-M0-N14-J21
Task 2114 of 4096 (2,0,0,2,0,2) R0F-M0-N14-J21
Task 2115 of 4096 (2,0,0,2,0,3) R0F-M0-N14-J21
Task 2116 of 4096 (2,0,0,2,0,4) R0F-M0-N14-J21
Task 2117 of 4096 (2,0,0,2,0,5) R0F-M0-N14-J21
Task 2118 of 4096 (2,0,0,2,0,6) R0F-M0-N14-J21
Task 2119 of 4096 (2,0,0,2,0,7) R0F-M0-N14-J21
Task 2120 of 4096 (2,0,0,2,0,8) R0F-M0-N14-J21
Task 2121 of 4096 (2,0,0,2,0,9) R0F-M0-N14-J21
Task 2122 of 4096 (2,0,0,2,0,10) R0F-M0-N14-J21
Task 2123 of 4096 (2,0,0,2,0,11) R0F-M0-N14-J21
Task 2124 of 4096 (2,0,0,2,0,12) R0F-M0-N14-J21
Task 2125 of 4096 (2,0,0,2,0,13) R0F-M0-N14-J21
Task 2126 of 4096 (2,0,0,2,0,14) R0F-M0-N14-J21
Task 2127 of 4096 (2,0,0,2,0,15) R0F-M0-N14-J21
Task 2128 of 4096 (2,0,0,2,1,0) R0F-M0-N14-J18
Task 2129 of 4096 (2,0,0,2,1,1) R0F-M0-N14-J18
Task 2130 of 4096 (2,0,0,2,1,2) R0F-M0-N14-J18
Task 2131 of 4096 (2,0,0,2,1,3) R0F-M0-N14-J18
Task 2132 of 4096 (2,0,0,2,1,4) R0F-M0-N14-J18
Task 2133 of 4096 (2,0,0,2,1,5) R0F-M0-N14-J18
Task 2134 of 4096 (2,0,0,2,1,6) R0F-M0-N14-J18
Task 2135 of 4096 (2,0,0,2,1,7) R0F-M0-N14-J18
Task 2136 of 4096 (2,0,0,2,1,8) R0F-M0-N14-J18
Task 2137 of 4096 (2,0,0,2,1,9) R0F-M0-N14-J18
Task 2138 of 4096 (2,0,0,2,1,10) R0F-M0-N14-J18
Task 2139 of 4096 (2,0,0,2,1,11) R0F-M0-N14-J18
Task 2140 of 4096 (2,0,0,2,1,12) R0F-M0-N14-J18
Task 2141 of 4096 (2,0,0,2,1,13) R0F-M0-N14-J18
Task 2142 of 4096 (2,0,0,2,1,14) R0F-M0-N14-J18
Task 2143 of 4096 (2,0,0,2,1,15) R0F-M0-N14-J18
Task 2144 of 4096 (2,0,0,3,0,0) R0F-M0-N14-J25
Task 2145 of 4096 (2,0,0,3,0,1) R0F-M0-N14-J25
Task 2146 of 4096 (2,0,0,3,0,2) R0F-M0-N14-J25
Task 2147 of 4096 (2,0,0,3,0,3) R0F-M0-N14-J25
Task 2148 of 4096 (2,0,0,3,0,4) R0F-M0-N14-J25
Task 2149 of 4096 (2,0,0,3,0,5) R0F-M0-N14-J25
Task 2150 of 4096 (2,0,0,3,0,6) R0F-M0-N14-J25
Task 2151 of 4096 (2,0,0,3,0,7) R0F-M0-N14-J25
Task 2152 of 4096 (2,0,0,3,0,8) R0F-M0-N14-J25
Task 2153 of 4096 (2,0,0,3,0,9) R0F-M0-N14-J25
Task 2154 of 4096 (2,0,0,3,0,10) R0F-M0-N14-J25
Task 2155 of 4096 (2,0,0,3,0,11) R0F-M0-N14-J25
Task 2156 of 4096 (2,0,0,3,0,12) R0F-M0-N14-J25
Task 2157 of 4096 (2,0,0,3,0,13) R0F-M0-N14-J25
Task 2158 of 4096 (2,0,0,3,0,14) R0F-M0-N14-J25
Task 2159 of 4096 (2,0,0,3,0,15) R0F-M0-N14-J25
Task 2160 of 4096 (2,0,0,3,1,0) R0F-M0-N14-J30
Task 2161 of 4096 (2,0,0,3,1,1) R0F-M0-N14-J30
Task 2162 of 4096 (2,0,0,3,1,2) R0F-M0-N14-J30
Task 2163 of 4096 (2,0,0,3,1,3) R0F-M0-N14-J30
Task 2164 of 4096 (2,0,0,3,1,4) R0F-M0-N14-J30
Task 2165 of 4096 (2,0,0,3,1,5) R0F-M0-N14-J30
Task 2166 of 4096 (2,0,0,3,1,6) R0F-M0-N14-J30
Task 2167 of 4096 (2,0,0,3,1,7) R0F-M0-N14-J30
Task 2168 of 4096 (2,0,0,3,1,8) R0F-M0-N14-J30
Task 2169 of 4096 (2,0,0,3,1,9) R0F-M0-N14-J30
Task 2170 of 4096 (2,0,0,3,1,10) R0F-M0-N14-J30
Task 2171 of 4096 (2,0,0,3,1,11) R0F-M0-N14-J30
Task 2172 of 4096 (2,0,0,3,1,12) R0F-M0-N14-J30
Task 2173 of 4096 (2,0,0,3,1,13) R0F-M0-N14-J30
Task 2174 of 4096 (2,0,0,3,1,14) R0F-M0-N14-J30
Task 2175 of 4096 (2,0,0,3,1,15) R0F-M0-N14-J30
Task 2176 of 4096 (2,0,1,0,0,0) R0F-M0-N12-J24
Task 2177 of 4096 (2,0,1,0,0,1) R0F-M0-N12-J24
Task 2178 of 4096 (2,0,1,0,0,2) R0F-M0-N12-J24
Task 2179 of 4096 (2,0,1,0,0,3) R0F-M0-N12-J24
Task 2180 of 4096 (2,0,1,0,0,4) R0F-M0-N12-J24
Task 2181 of 4096 (2,0,1,0,0,5) R0F-M0-N12-J24
Task 2182 of 4096 (2,0,1,0,0,6) R0F-M0-N12-J24
Task 2183 of 4096 (2,0,1,0,0,7) R0F-M0-N12-J24
Task 2184 of 4096 (2,0,1,0,0,8) R0F-M0-N12-J24
Task 2185 of 4096 (2,0,1,0,0,9) R0F-M0-N12-J24
Task 2186 of 4096 (2,0,1,0,0,10) R0F-M0-N12-J24
Task 2187 of 4096 (2,0,1,0,0,11) R0F-M0-N12-J24
Task 2188 of 4096 (2,0,1,0,0,12) R0F-M0-N12-J24
Task 2189 of 4096 (2,0,1,0,0,13) R0F-M0-N12-J24
Task 2190 of 4096 (2,0,1,0,0,14) R0F-M0-N12-J24
Task 2191 of 4096 (2,0,1,0,0,15) R0F-M0-N12-J24
Task 2192 of 4096 (2,0,1,0,1,0) R0F-M0-N12-J31
Task 2193 of 4096 (2,0,1,0,1,1) R0F-M0-N12-J31
Task 2194 of 4096 (2,0,1,0,1,2) R0F-M0-N12-J31
Task 2195 of 4096 (2,0,1,0,1,3) R0F-M0-N12-J31
Task 2196 of 4096 (2,0,1,0,1,4) R0F-M0-N12-J31
Task 2197 of 4096 (2,0,1,0,1,5) R0F-M0-N12-J31
Task 2198 of 4096 (2,0,1,0,1,6) R0F-M0-N12-J31
Task 2199 of 4096 (2,0,1,0,1,7) R0F-M0-N12-J31
Task 2200 of 4096 (2,0,1,0,1,8) R0F-M0-N12-J31
Task 2201 of 4096 (2,0,1,0,1,9) R0F-M0-N12-J31
Task 2202 of 4096 (2,0,1,0,1,10) R0F-M0-N12-J31
Task 2203 of 4096 (2,0,1,0,1,11) R0F-M0-N12-J31
Task 2204 of 4096 (2,0,1,0,1,12) R0F-M0-N12-J31
Task 2205 of 4096 (2,0,1,0,1,13) R0F-M0-N12-J31
Task 2206 of 4096 (2,0,1,0,1,14) R0F-M0-N12-J31
Task 2207 of 4096 (2,0,1,0,1,15) R0F-M0-N12-J31
Task 2208 of 4096 (2,0,1,1,0,0) R0F-M0-N12-J20
Task 2209 of 4096 (2,0,1,1,0,1) R0F-M0-N12-J20
Task 2210 of 4096 (2,0,1,1,0,2) R0F-M0-N12-J20
Task 2211 of 4096 (2,0,1,1,0,3) R0F-M0-N12-J20
Task 2212 of 4096 (2,0,1,1,0,4) R0F-M0-N12-J20
Task 2213 of 4096 (2,0,1,1,0,5) R0F-M0-N12-J20
Task 2214 of 4096 (2,0,1,1,0,6) R0F-M0-N12-J20
Task 2215 of 4096 (2,0,1,1,0,7) R0F-M0-N12-J20
Task 2216 of 4096 (2,0,1,1,0,8) R0F-M0-N12-J20
Task 2217 of 4096 (2,0,1,1,0,9) R0F-M0-N12-J20
Task 2218 of 4096 (2,0,1,1,0,10) R0F-M0-N12-J20
Task 2219 of 4096 (2,0,1,1,0,11) R0F-M0-N12-J20
Task 2220 of 4096 (2,0,1,1,0,12) R0F-M0-N12-J20
Task 2221 of 4096 (2,0,1,1,0,13) R0F-M0-N12-J20
Task 2222 of 4096 (2,0,1,1,0,14) R0F-M0-N12-J20
Task 2223 of 4096 (2,0,1,1,0,15) R0F-M0-N12-J20
Task 2224 of 4096 (2,0,1,1,1,0) R0F-M0-N12-J19
Task 2225 of 4096 (2,0,1,1,1,1) R0F-M0-N12-J19
Task 2226 of 4096 (2,0,1,1,1,2) R0F-M0-N12-J19
Task 2227 of 4096 (2,0,1,1,1,3) R0F-M0-N12-J19
Task 2228 of 4096 (2,0,1,1,1,4) R0F-M0-N12-J19
Task 2229 of 4096 (2,0,1,1,1,5) R0F-M0-N12-J19
Task 2230 of 4096 (2,0,1,1,1,6) R0F-M0-N12-J19
Task 2231 of 4096 (2,0,1,1,1,7) R0F-M0-N12-J19
Task 2232 of 4096 (2,0,1,1,1,8) R0F-M0-N12-J19
Task 2233 of 4096 (2,0,1,1,1,9) R0F-M0-N12-J19
Task 2234 of 4096 (2,0,1,1,1,10) R0F-M0-N12-J19
Task 2235 of 4096 (2,0,1,1,1,11) R0F-M0-N12-J19
Task 2236 of 4096 (2,0,1,1,1,12) R0F-M0-N12-J19
Task 2237 of 4096 (2,0,1,1,1,13) R0F-M0-N12-J19
Task 2238 of 4096 (2,0,1,1,1,14) R0F-M0-N12-J19
Task 2239 of 4096 (2,0,1,1,1,15) R0F-M0-N12-J19
Task 2240 of 4096 (2,0,1,2,0,0) R0F-M0-N14-J20
Task 2241 of 4096 (2,0,1,2,0,1) R0F-M0-N14-J20
Task 2242 of 4096 (2,0,1,2,0,2) R0F-M0-N14-J20
Task 2243 of 4096 (2,0,1,2,0,3) R0F-M0-N14-J20
Task 2244 of 4096 (2,0,1,2,0,4) R0F-M0-N14-J20
Task 2245 of 4096 (2,0,1,2,0,5) R0F-M0-N14-J20
Task 2246 of 4096 (2,0,1,2,0,6) R0F-M0-N14-J20
Task 2247 of 4096 (2,0,1,2,0,7) R0F-M0-N14-J20
Task 2248 of 4096 (2,0,1,2,0,8) R0F-M0-N14-J20
Task 2249 of 4096 (2,0,1,2,0,9) R0F-M0-N14-J20
Task 2250 of 4096 (2,0,1,2,0,10) R0F-M0-N14-J20
Task 2251 of 4096 (2,0,1,2,0,11) R0F-M0-N14-J20
Task 2252 of 4096 (2,0,1,2,0,12) R0F-M0-N14-J20
Task 2253 of 4096 (2,0,1,2,0,13) R0F-M0-N14-J20
Task 2254 of 4096 (2,0,1,2,0,14) R0F-M0-N14-J20
Task 2255 of 4096 (2,0,1,2,0,15) R0F-M0-N14-J20
Task 2256 of 4096 (2,0,1,2,1,0) R0F-M0-N14-J19
Task 2257 of 4096 (2,0,1,2,1,1) R0F-M0-N14-J19
Task 2258 of 4096 (2,0,1,2,1,2) R0F-M0-N14-J19
Task 2259 of 4096 (2,0,1,2,1,3) R0F-M0-N14-J19
Task 2260 of 4096 (2,0,1,2,1,4) R0F-M0-N14-J19
Task 2261 of 4096 (2,0,1,2,1,5) R0F-M0-N14-J19
Task 2262 of 4096 (2,0,1,2,1,6) R0F-M0-N14-J19
Task 2263 of 4096 (2,0,1,2,1,7) R0F-M0-N14-J19
Task 2264 of 4096 (2,0,1,2,1,8) R0F-M0-N14-J19
Task 2265 of 4096 (2,0,1,2,1,9) R0F-M0-N14-J19
Task 2266 of 4096 (2,0,1,2,1,10) R0F-M0-N14-J19
Task 2267 of 4096 (2,0,1,2,1,11) R0F-M0-N14-J19
Task 2268 of 4096 (2,0,1,2,1,12) R0F-M0-N14-J19
Task 2269 of 4096 (2,0,1,2,1,13) R0F-M0-N14-J19
Task 2270 of 4096 (2,0,1,2,1,14) R0F-M0-N14-J19
Task 2271 of 4096 (2,0,1,2,1,15) R0F-M0-N14-J19
Task 2272 of 4096 (2,0,1,3,0,0) R0F-M0-N14-J24
Task 2273 of 4096 (2,0,1,3,0,1) R0F-M0-N14-J24
Task 2274 of 4096 (2,0,1,3,0,2) R0F-M0-N14-J24
Task 2275 of 4096 (2,0,1,3,0,3) R0F-M0-N14-J24
Task 2276 of 4096 (2,0,1,3,0,4) R0F-M0-N14-J24
Task 2277 of 4096 (2,0,1,3,0,5) R0F-M0-N14-J24
Task 2278 of 4096 (2,0,1,3,0,6) R0F-M0-N14-J24
Task 2279 of 4096 (2,0,1,3,0,7) R0F-M0-N14-J24
Task 2280 of 4096 (2,0,1,3,0,8) R0F-M0-N14-J24
Task 2281 of 4096 (2,0,1,3,0,9) R0F-M0-N14-J24
Task 2282 of 4096 (2,0,1,3,0,10) R0F-M0-N14-J24
Task 2283 of 4096 (2,0,1,3,0,11) R0F-M0-N14-J24
Task 2284 of 4096 (2,0,1,3,0,12) R0F-M0-N14-J24
Task 2285 of 4096 (2,0,1,3,0,13) R0F-M0-N14-J24
Task 2286 of 4096 (2,0,1,3,0,14) R0F-M0-N14-J24
Task 2287 of 4096 (2,0,1,3,0,15) R0F-M0-N14-J24
Task 2288 of 4096 (2,0,1,3,1,0) R0F-M0-N14-J31
Task 2289 of 4096 (2,0,1,3,1,1) R0F-M0-N14-J31
Task 2290 of 4096 (2,0,1,3,1,2) R0F-M0-N14-J31
Task 2291 of 4096 (2,0,1,3,1,3) R0F-M0-N14-J31
Task 2292 of 4096 (2,0,1,3,1,4) R0F-M0-N14-J31
Task 2293 of 4096 (2,0,1,3,1,5) R0F-M0-N14-J31
Task 2294 of 4096 (2,0,1,3,1,6) R0F-M0-N14-J31
Task 2295 of 4096 (2,0,1,3,1,7) R0F-M0-N14-J31
Task 2296 of 4096 (2,0,1,3,1,8) R0F-M0-N14-J31
Task 2297 of 4096 (2,0,1,3,1,9) R0F-M0-N14-J31
Task 2298 of 4096 (2,0,1,3,1,10) R0F-M0-N14-J31
Task 2299 of 4096 (2,0,1,3,1,11) R0F-M0-N14-J31
Task 2300 of 4096 (2,0,1,3,1,12) R0F-M0-N14-J31
Task 2301 of 4096 (2,0,1,3,1,13) R0F-M0-N14-J31
Task 2302 of 4096 (2,0,1,3,1,14) R0F-M0-N14-J31
Task 2303 of 4096 (2,0,1,3,1,15) R0F-M0-N14-J31
Task 2304 of 4096 (2,0,2,0,0,0) R0F-M0-N13-J24
Task 2305 of 4096 (2,0,2,0,0,1) R0F-M0-N13-J24
Task 2306 of 4096 (2,0,2,0,0,2) R0F-M0-N13-J24
Task 2307 of 4096 (2,0,2,0,0,3) R0F-M0-N13-J24
Task 2308 of 4096 (2,0,2,0,0,4) R0F-M0-N13-J24
Task 2309 of 4096 (2,0,2,0,0,5) R0F-M0-N13-J24
Task 2310 of 4096 (2,0,2,0,0,6) R0F-M0-N13-J24
Task 2311 of 4096 (2,0,2,0,0,7) R0F-M0-N13-J24
Task 2312 of 4096 (2,0,2,0,0,8) R0F-M0-N13-J24
Task 2313 of 4096 (2,0,2,0,0,9) R0F-M0-N13-J24
Task 2314 of 4096 (2,0,2,0,0,10) R0F-M0-N13-J24
Task 2315 of 4096 (2,0,2,0,0,11) R0F-M0-N13-J24
Task 2316 of 4096 (2,0,2,0,0,12) R0F-M0-N13-J24
Task 2317 of 4096 (2,0,2,0,0,13) R0F-M0-N13-J24
Task 2318 of 4096 (2,0,2,0,0,14) R0F-M0-N13-J24
Task 2319 of 4096 (2,0,2,0,0,15) R0F-M0-N13-J24
Task 2320 of 4096 (2,0,2,0,1,0) R0F-M0-N13-J31
Task 2321 of 4096 (2,0,2,0,1,1) R0F-M0-N13-J31
Task 2322 of 4096 (2,0,2,0,1,2) R0F-M0-N13-J31
Task 2323 of 4096 (2,0,2,0,1,3) R0F-M0-N13-J31
Task 2324 of 4096 (2,0,2,0,1,4) R0F-M0-N13-J31
Task 2325 of 4096 (2,0,2,0,1,5) R0F-M0-N13-J31
Task 2326 of 4096 (2,0,2,0,1,6) R0F-M0-N13-J31
Task 2327 of 4096 (2,0,2,0,1,7) R0F-M0-N13-J31
Task 2328 of 4096 (2,0,2,0,1,8) R0F-M0-N13-J31
Task 2329 of 4096 (2,0,2,0,1,9) R0F-M0-N13-J31
Task 2330 of 4096 (2,0,2,0,1,10) R0F-M0-N13-J31
Task 2331 of 4096 (2,0,2,0,1,11) R0F-M0-N13-J31
Task 2332 of 4096 (2,0,2,0,1,12) R0F-M0-N13-J31
Task 2333 of 4096 (2,0,2,0,1,13) R0F-M0-N13-J31
Task 2334 of 4096 (2,0,2,0,1,14) R0F-M0-N13-J31
Task 2335 of 4096 (2,0,2,0,1,15) R0F-M0-N13-J31
Task 2336 of 4096 (2,0,2,1,0,0) R0F-M0-N13-J20
Task 2337 of 4096 (2,0,2,1,0,1) R0F-M0-N13-J20
Task 2338 of 4096 (2,0,2,1,0,2) R0F-M0-N13-J20
Task 2339 of 4096 (2,0,2,1,0,3) R0F-M0-N13-J20
Task 2340 of 4096 (2,0,2,1,0,4) R0F-M0-N13-J20
Task 2341 of 4096 (2,0,2,1,0,5) R0F-M0-N13-J20
Task 2342 of 4096 (2,0,2,1,0,6) R0F-M0-N13-J20
Task 2343 of 4096 (2,0,2,1,0,7) R0F-M0-N13-J20
Task 2344 of 4096 (2,0,2,1,0,8) R0F-M0-N13-J20
Task 2345 of 4096 (2,0,2,1,0,9) R0F-M0-N13-J20
Task 2346 of 4096 (2,0,2,1,0,10) R0F-M0-N13-J20
Task 2347 of 4096 (2,0,2,1,0,11) R0F-M0-N13-J20
Task 2348 of 4096 (2,0,2,1,0,12) R0F-M0-N13-J20
Task 2349 of 4096 (2,0,2,1,0,13) R0F-M0-N13-J20
Task 2350 of 4096 (2,0,2,1,0,14) R0F-M0-N13-J20
Task 2351 of 4096 (2,0,2,1,0,15) R0F-M0-N13-J20
Task 2352 of 4096 (2,0,2,1,1,0) R0F-M0-N13-J19
Task 2353 of 4096 (2,0,2,1,1,1) R0F-M0-N13-J19
Task 2354 of 4096 (2,0,2,1,1,2) R0F-M0-N13-J19
Task 2355 of 4096 (2,0,2,1,1,3) R0F-M0-N13-J19
Task 2356 of 4096 (2,0,2,1,1,4) R0F-M0-N13-J19
Task 2357 of 4096 (2,0,2,1,1,5) R0F-M0-N13-J19
Task 2358 of 4096 (2,0,2,1,1,6) R0F-M0-N13-J19
Task 2359 of 4096 (2,0,2,1,1,7) R0F-M0-N13-J19
Task 2360 of 4096 (2,0,2,1,1,8) R0F-M0-N13-J19
Task 2361 of 4096 (2,0,2,1,1,9) R0F-M0-N13-J19
Task 2362 of 4096 (2,0,2,1,1,10) R0F-M0-N13-J19
Task 2363 of 4096 (2,0,2,1,1,11) R0F-M0-N13-J19
Task 2364 of 4096 (2,0,2,1,1,12) R0F-M0-N13-J19
Task 2365 of 4096 (2,0,2,1,1,13) R0F-M0-N13-J19
Task 2366 of 4096 (2,0,2,1,1,14) R0F-M0-N13-J19
Task 2367 of 4096 (2,0,2,1,1,15) R0F-M0-N13-J19
Task 2368 of 4096 (2,0,2,2,0,0) R0F-M0-N15-J20
Task 2369 of 4096 (2,0,2,2,0,1) R0F-M0-N15-J20
Task 2370 of 4096 (2,0,2,2,0,2) R0F-M0-N15-J20
Task 2371 of 4096 (2,0,2,2,0,3) R0F-M0-N15-J20
Task 2372 of 4096 (2,0,2,2,0,4) R0F-M0-N15-J20
Task 2373 of 4096 (2,0,2,2,0,5) R0F-M0-N15-J20
Task 2374 of 4096 (2,0,2,2,0,6) R0F-M0-N15-J20
Task 2375 of 4096 (2,0,2,2,0,7) R0F-M0-N15-J20
Task 2376 of 4096 (2,0,2,2,0,8) R0F-M0-N15-J20
Task 2377 of 4096 (2,0,2,2,0,9) R0F-M0-N15-J20
Task 2378 of 4096 (2,0,2,2,0,10) R0F-M0-N15-J20
Task 2379 of 4096 (2,0,2,2,0,11) R0F-M0-N15-J20
Task 2380 of 4096 (2,0,2,2,0,12) R0F-M0-N15-J20
Task 2381 of 4096 (2,0,2,2,0,13) R0F-M0-N15-J20
Task 2382 of 4096 (2,0,2,2,0,14) R0F-M0-N15-J20
Task 2383 of 4096 (2,0,2,2,0,15) R0F-M0-N15-J20
Task 2384 of 4096 (2,0,2,2,1,0) R0F-M0-N15-J19
Task 2385 of 4096 (2,0,2,2,1,1) R0F-M0-N15-J19
Task 2386 of 4096 (2,0,2,2,1,2) R0F-M0-N15-J19
Task 2387 of 4096 (2,0,2,2,1,3) R0F-M0-N15-J19
Task 2388 of 4096 (2,0,2,2,1,4) R0F-M0-N15-J19
Task 2389 of 4096 (2,0,2,2,1,5) R0F-M0-N15-J19
Task 2390 of 4096 (2,0,2,2,1,6) R0F-M0-N15-J19
Task 2391 of 4096 (2,0,2,2,1,7) R0F-M0-N15-J19
Task 2392 of 4096 (2,0,2,2,1,8) R0F-M0-N15-J19
Task 2393 of 4096 (2,0,2,2,1,9) R0F-M0-N15-J19
Task 2394 of 4096 (2,0,2,2,1,10) R0F-M0-N15-J19
Task 2395 of 4096 (2,0,2,2,1,11) R0F-M0-N15-J19
Task 2396 of 4096 (2,0,2,2,1,12) R0F-M0-N15-J19
Task 2397 of 4096 (2,0,2,2,1,13) R0F-M0-N15-J19
Task 2398 of 4096 (2,0,2,2,1,14) R0F-M0-N15-J19
Task 2399 of 4096 (2,0,2,2,1,15) R0F-M0-N15-J19
Task 2400 of 4096 (2,0,2,3,0,0) R0F-M0-N15-J24
Task 2401 of 4096 (2,0,2,3,0,1) R0F-M0-N15-J24
Task 2402 of 4096 (2,0,2,3,0,2) R0F-M0-N15-J24
Task 2403 of 4096 (2,0,2,3,0,3) R0F-M0-N15-J24
Task 2404 of 4096 (2,0,2,3,0,4) R0F-M0-N15-J24
Task 2405 of 4096 (2,0,2,3,0,5) R0F-M0-N15-J24
Task 2406 of 4096 (2,0,2,3,0,6) R0F-M0-N15-J24
Task 2407 of 4096 (2,0,2,3,0,7) R0F-M0-N15-J24
Task 2408 of 4096 (2,0,2,3,0,8) R0F-M0-N15-J24
Task 2409 of 4096 (2,0,2,3,0,9) R0F-M0-N15-J24
Task 2410 of 4096 (2,0,2,3,0,10) R0F-M0-N15-J24
Task 2411 of 4096 (2,0,2,3,0,11) R0F-M0-N15-J24
Task 2412 of 4096 (2,0,2,3,0,12) R0F-M0-N15-J24
Task 2413 of 4096 (2,0,2,3,0,13) R0F-M0-N15-J24
Task 2414 of 4096 (2,0,2,3,0,14) R0F-M0-N15-J24
Task 2415 of 4096 (2,0,2,3,0,15) R0F-M0-N15-J24
Task 2416 of 4096 (2,0,2,3,1,0) R0F-M0-N15-J31
Task 2417 of 4096 (2,0,2,3,1,1) R0F-M0-N15-J31
Task 2418 of 4096 (2,0,2,3,1,2) R0F-M0-N15-J31
Task 2419 of 4096 (2,0,2,3,1,3) R0F-M0-N15-J31
Task 2420 of 4096 (2,0,2,3,1,4) R0F-M0-N15-J31
Task 2421 of 4096 (2,0,2,3,1,5) R0F-M0-N15-J31
Task 2422 of 4096 (2,0,2,3,1,6) R0F-M0-N15-J31
Task 2423 of 4096 (2,0,2,3,1,7) R0F-M0-N15-J31
Task 2424 of 4096 (2,0,2,3,1,8) R0F-M0-N15-J31
Task 2425 of 4096 (2,0,2,3,1,9) R0F-M0-N15-J31
Task 2426 of 4096 (2,0,2,3,1,10) R0F-M0-N15-J31
Task 2427 of 4096 (2,0,2,3,1,11) R0F-M0-N15-J31
Task 2428 of 4096 (2,0,2,3,1,12) R0F-M0-N15-J31
Task 2429 of 4096 (2,0,2,3,1,13) R0F-M0-N15-J31
Task 2430 of 4096 (2,0,2,3,1,14) R0F-M0-N15-J31
Task 2431 of 4096 (2,0,2,3,1,15) R0F-M0-N15-J31
Task 2432 of 4096 (2,0,3,0,0,0) R0F-M0-N13-J25
Task 2433 of 4096 (2,0,3,0,0,1) R0F-M0-N13-J25
Task 2434 of 4096 (2,0,3,0,0,2) R0F-M0-N13-J25
Task 2435 of 4096 (2,0,3,0,0,3) R0F-M0-N13-J25
Task 2436 of 4096 (2,0,3,0,0,4) R0F-M0-N13-J25
Task 2437 of 4096 (2,0,3,0,0,5) R0F-M0-N13-J25
Task 2438 of 4096 (2,0,3,0,0,6) R0F-M0-N13-J25
Task 2439 of 4096 (2,0,3,0,0,7) R0F-M0-N13-J25
Task 2440 of 4096 (2,0,3,0,0,8) R0F-M0-N13-J25
Task 2441 of 4096 (2,0,3,0,0,9) R0F-M0-N13-J25
Task 2442 of 4096 (2,0,3,0,0,10) R0F-M0-N13-J25
Task 2443 of 4096 (2,0,3,0,0,11) R0F-M0-N13-J25
Task 2444 of 4096 (2,0,3,0,0,12) R0F-M0-N13-J25
Task 2445 of 4096 (2,0,3,0,0,13) R0F-M0-N13-J25
Task 2446 of 4096 (2,0,3,0,0,14) R0F-M0-N13-J25
Task 2447 of 4096 (2,0,3,0,0,15) R0F-M0-N13-J25
Task 2448 of 4096 (2,0,3,0,1,0) R0F-M0-N13-J30
Task 2449 of 4096 (2,0,3,0,1,1) R0F-M0-N13-J30
Task 2450 of 4096 (2,0,3,0,1,2) R0F-M0-N13-J30
Task 2451 of 4096 (2,0,3,0,1,3) R0F-M0-N13-J30
Task 2452 of 4096 (2,0,3,0,1,4) R0F-M0-N13-J30
Task 2453 of 4096 (2,0,3,0,1,5) R0F-M0-N13-J30
Task 2454 of 4096 (2,0,3,0,1,6) R0F-M0-N13-J30
Task 2455 of 4096 (2,0,3,0,1,7) R0F-M0-N13-J30
Task 2456 of 4096 (2,0,3,0,1,8) R0F-M0-N13-J30
Task 2457 of 4096 (2,0,3,0,1,9) R0F-M0-N13-J30
Task 2458 of 4096 (2,0,3,0,1,10) R0F-M0-N13-J30
Task 2459 of 4096 (2,0,3,0,1,11) R0F-M0-N13-J30
Task 2460 of 4096 (2,0,3,0,1,12) R0F-M0-N13-J30
Task 2461 of 4096 (2,0,3,0,1,13) R0F-M0-N13-J30
Task 2462 of 4096 (2,0,3,0,1,14) R0F-M0-N13-J30
Task 2463 of 4096 (2,0,3,0,1,15) R0F-M0-N13-J30
Task 2464 of 4096 (2,0,3,1,0,0) R0F-M0-N13-J21
Task 2465 of 4096 (2,0,3,1,0,1) R0F-M0-N13-J21
Task 2466 of 4096 (2,0,3,1,0,2) R0F-M0-N13-J21
Task 2467 of 4096 (2,0,3,1,0,3) R0F-M0-N13-J21
Task 2468 of 4096 (2,0,3,1,0,4) R0F-M0-N13-J21
Task 2469 of 4096 (2,0,3,1,0,5) R0F-M0-N13-J21
Task 2470 of 4096 (2,0,3,1,0,6) R0F-M0-N13-J21
Task 2471 of 4096 (2,0,3,1,0,7) R0F-M0-N13-J21
Task 2472 of 4096 (2,0,3,1,0,8) R0F-M0-N13-J21
Task 2473 of 4096 (2,0,3,1,0,9) R0F-M0-N13-J21
Task 2474 of 4096 (2,0,3,1,0,10) R0F-M0-N13-J21
Task 2475 of 4096 (2,0,3,1,0,11) R0F-M0-N13-J21
Task 2476 of 4096 (2,0,3,1,0,12) R0F-M0-N13-J21
Task 2477 of 4096 (2,0,3,1,0,13) R0F-M0-N13-J21
Task 2478 of 4096 (2,0,3,1,0,14) R0F-M0-N13-J21
Task 2479 of 4096 (2,0,3,1,0,15) R0F-M0-N13-J21
Task 2480 of 4096 (2,0,3,1,1,0) R0F-M0-N13-J18
Task 2481 of 4096 (2,0,3,1,1,1) R0F-M0-N13-J18
Task 2482 of 4096 (2,0,3,1,1,2) R0F-M0-N13-J18
Task 2483 of 4096 (2,0,3,1,1,3) R0F-M0-N13-J18
Task 2484 of 4096 (2,0,3,1,1,4) R0F-M0-N13-J18
Task 2485 of 4096 (2,0,3,1,1,5) R0F-M0-N13-J18
Task 2486 of 4096 (2,0,3,1,1,6) R0F-M0-N13-J18
Task 2487 of 4096 (2,0,3,1,1,7) R0F-M0-N13-J18
Task 2488 of 4096 (2,0,3,1,1,8) R0F-M0-N13-J18
Task 2489 of 4096 (2,0,3,1,1,9) R0F-M0-N13-J18
Task 2490 of 4096 (2,0,3,1,1,10) R0F-M0-N13-J18
Task 2491 of 4096 (2,0,3,1,1,11) R0F-M0-N13-J18
Task 2492 of 4096 (2,0,3,1,1,12) R0F-M0-N13-J18
Task 2493 of 4096 (2,0,3,1,1,13) R0F-M0-N13-J18
Task 2494 of 4096 (2,0,3,1,1,14) R0F-M0-N13-J18
Task 2495 of 4096 (2,0,3,1,1,15) R0F-M0-N13-J18
Task 2496 of 4096 (2,0,3,2,0,0) R0F-M0-N15-J21
Task 2497 of 4096 (2,0,3,2,0,1) R0F-M0-N15-J21
Task 2498 of 4096 (2,0,3,2,0,2) R0F-M0-N15-J21
Task 2499 of 4096 (2,0,3,2,0,3) R0F-M0-N15-J21
Task 2500 of 4096 (2,0,3,2,0,4) R0F-M0-N15-J21
Task 2501 of 4096 (2,0,3,2,0,5) R0F-M0-N15-J21
Task 2502 of 4096 (2,0,3,2,0,6) R0F-M0-N15-J21
Task 2503 of 4096 (2,0,3,2,0,7) R0F-M0-N15-J21
Task 2504 of 4096 (2,0,3,2,0,8) R0F-M0-N15-J21
Task 2505 of 4096 (2,0,3,2,0,9) R0F-M0-N15-J21
Task 2506 of 4096 (2,0,3,2,0,10) R0F-M0-N15-J21
Task 2507 of 4096 (2,0,3,2,0,11) R0F-M0-N15-J21
Task 2508 of 4096 (2,0,3,2,0,12) R0F-M0-N15-J21
Task 2509 of 4096 (2,0,3,2,0,13) R0F-M0-N15-J21
Task 2510 of 4096 (2,0,3,2,0,14) R0F-M0-N15-J21
Task 2511 of 4096 (2,0,3,2,0,15) R0F-M0-N15-J21
Task 2512 of 4096 (2,0,3,2,1,0) R0F-M0-N15-J18
Task 2513 of 4096 (2,0,3,2,1,1) R0F-M0-N15-J18
Task 2514 of 4096 (2,0,3,2,1,2) R0F-M0-N15-J18
Task 2515 of 4096 (2,0,3,2,1,3) R0F-M0-N15-J18
Task 2516 of 4096 (2,0,3,2,1,4) R0F-M0-N15-J18
Task 2517 of 4096 (2,0,3,2,1,5) R0F-M0-N15-J18
Task 2518 of 4096 (2,0,3,2,1,6) R0F-M0-N15-J18
Task 2519 of 4096 (2,0,3,2,1,7) R0F-M0-N15-J18
Task 2520 of 4096 (2,0,3,2,1,8) R0F-M0-N15-J18
Task 2521 of 4096 (2,0,3,2,1,9) R0F-M0-N15-J18
Task 2522 of 4096 (2,0,3,2,1,10) R0F-M0-N15-J18
Task 2523 of 4096 (2,0,3,2,1,11) R0F-M0-N15-J18
Task 2524 of 4096 (2,0,3,2,1,12) R0F-M0-N15-J18
Task 2525 of 4096 (2,0,3,2,1,13) R0F-M0-N15-J18
Task 2526 of 4096 (2,0,3,2,1,14) R0F-M0-N15-J18
Task 2527 of 4096 (2,0,3,2,1,15) R0F-M0-N15-J18
Task 2528 of 4096 (2,0,3,3,0,0) R0F-M0-N15-J25
Task 2529 of 4096 (2,0,3,3,0,1) R0F-M0-N15-J25
Task 2530 of 4096 (2,0,3,3,0,2) R0F-M0-N15-J25
Task 2531 of 4096 (2,0,3,3,0,3) R0F-M0-N15-J25
Task 2532 of 4096 (2,0,3,3,0,4) R0F-M0-N15-J25
Task 2533 of 4096 (2,0,3,3,0,5) R0F-M0-N15-J25
Task 2534 of 4096 (2,0,3,3,0,6) R0F-M0-N15-J25
Task 2535 of 4096 (2,0,3,3,0,7) R0F-M0-N15-J25
Task 2536 of 4096 (2,0,3,3,0,8) R0F-M0-N15-J25
Task 2537 of 4096 (2,0,3,3,0,9) R0F-M0-N15-J25
Task 2538 of 4096 (2,0,3,3,0,10) R0F-M0-N15-J25
Task 2539 of 4096 (2,0,3,3,0,11) R0F-M0-N15-J25
Task 2540 of 4096 (2,0,3,3,0,12) R0F-M0-N15-J25
Task 2541 of 4096 (2,0,3,3,0,13) R0F-M0-N15-J25
Task 2542 of 4096 (2,0,3,3,0,14) R0F-M0-N15-J25
Task 2543 of 4096 (2,0,3,3,0,15) R0F-M0-N15-J25
Task 2544 of 4096 (2,0,3,3,1,0) R0F-M0-N15-J30
Task 2545 of 4096 (2,0,3,3,1,1) R0F-M0-N15-J30
Task 2546 of 4096 (2,0,3,3,1,2) R0F-M0-N15-J30
Task 2547 of 4096 (2,0,3,3,1,3) R0F-M0-N15-J30
Task 2548 of 4096 (2,0,3,3,1,4) R0F-M0-N15-J30
Task 2549 of 4096 (2,0,3,3,1,5) R0F-M0-N15-J30
Task 2550 of 4096 (2,0,3,3,1,6) R0F-M0-N15-J30
Task 2551 of 4096 (2,0,3,3,1,7) R0F-M0-N15-J30
Task 2552 of 4096 (2,0,3,3,1,8) R0F-M0-N15-J30
Task 2553 of 4096 (2,0,3,3,1,9) R0F-M0-N15-J30
Task 2554 of 4096 (2,0,3,3,1,10) R0F-M0-N15-J30
Task 2555 of 4096 (2,0,3,3,1,11) R0F-M0-N15-J30
Task 2556 of 4096 (2,0,3,3,1,12) R0F-M0-N15-J30
Task 2557 of 4096 (2,0,3,3,1,13) R0F-M0-N15-J30
Task 2558 of 4096 (2,0,3,3,1,14) R0F-M0-N15-J30
Task 2559 of 4096 (2,0,3,3,1,15) R0F-M0-N15-J30
Task 2560 of 4096 (2,1,0,0,0,0) R0F-M0-N12-J26
Task 2561 of 4096 (2,1,0,0,0,1) R0F-M0-N12-J26
Task 2562 of 4096 (2,1,0,0,0,2) R0F-M0-N12-J26
Task 2563 of 4096 (2,1,0,0,0,3) R0F-M0-N12-J26
Task 2564 of 4096 (2,1,0,0,0,4) R0F-M0-N12-J26
Task 2565 of 4096 (2,1,0,0,0,5) R0F-M0-N12-J26
Task 2566 of 4096 (2,1,0,0,0,6) R0F-M0-N12-J26
Task 2567 of 4096 (2,1,0,0,0,7) R0F-M0-N12-J26
Task 2568 of 4096 (2,1,0,0,0,8) R0F-M0-N12-J26
Task 2569 of 4096 (2,1,0,0,0,9) R0F-M0-N12-J26
Task 2570 of 4096 (2,1,0,0,0,10) R0F-M0-N12-J26
Task 2571 of 4096 (2,1,0,0,0,11) R0F-M0-N12-J26
Task 2572 of 4096 (2,1,0,0,0,12) R0F-M0-N12-J26
Task 2573 of 4096 (2,1,0,0,0,13) R0F-M0-N12-J26
Task 2574 of 4096 (2,1,0,0,0,14) R0F-M0-N12-J26
Task 2575 of 4096 (2,1,0,0,0,15) R0F-M0-N12-J26
Task 2576 of 4096 (2,1,0,0,1,0) R0F-M0-N12-J29
Task 2577 of 4096 (2,1,0,0,1,1) R0F-M0-N12-J29
Task 2578 of 4096 (2,1,0,0,1,2) R0F-M0-N12-J29
Task 2579 of 4096 (2,1,0,0,1,3) R0F-M0-N12-J29
Task 2580 of 4096 (2,1,0,0,1,4) R0F-M0-N12-J29
Task 2581 of 4096 (2,1,0,0,1,5) R0F-M0-N12-J29
Task 2582 of 4096 (2,1,0,0,1,6) R0F-M0-N12-J29
Task 2583 of 4096 (2,1,0,0,1,7) R0F-M0-N12-J29
Task 2584 of 4096 (2,1,0,0,1,8) R0F-M0-N12-J29
Task 2585 of 4096 (2,1,0,0,1,9) R0F-M0-N12-J29
Task 2586 of 4096 (2,1,0,0,1,10) R0F-M0-N12-J29
Task 2587 of 4096 (2,1,0,0,1,11) R0F-M0-N12-J29
Task 2588 of 4096 (2,1,0,0,1,12) R0F-M0-N12-J29
Task 2589 of 4096 (2,1,0,0,1,13) R0F-M0-N12-J29
Task 2590 of 4096 (2,1,0,0,1,14) R0F-M0-N12-J29
Task 2591 of 4096 (2,1,0,0,1,15) R0F-M0-N12-J29
Task 2592 of 4096 (2,1,0,1,0,0) R0F-M0-N12-J22
Task 2593 of 4096 (2,1,0,1,0,1) R0F-M0-N12-J22
Task 2594 of 4096 (2,1,0,1,0,2) R0F-M0-N12-J22
Task 2595 of 4096 (2,1,0,1,0,3) R0F-M0-N12-J22
Task 2596 of 4096 (2,1,0,1,0,4) R0F-M0-N12-J22
Task 2597 of 4096 (2,1,0,1,0,5) R0F-M0-N12-J22
Task 2598 of 4096 (2,1,0,1,0,6) R0F-M0-N12-J22
Task 2599 of 4096 (2,1,0,1,0,7) R0F-M0-N12-J22
Task 2600 of 4096 (2,1,0,1,0,8) R0F-M0-N12-J22
Task 2601 of 4096 (2,1,0,1,0,9) R0F-M0-N12-J22
Task 2602 of 4096 (2,1,0,1,0,10) R0F-M0-N12-J22
Task 2603 of 4096 (2,1,0,1,0,11) R0F-M0-N12-J22
Task 2604 of 4096 (2,1,0,1,0,12) R0F-M0-N12-J22
Task 2605 of 4096 (2,1,0,1,0,13) R0F-M0-N12-J22
Task 2606 of 4096 (2,1,0,1,0,14) R0F-M0-N12-J22
Task 2607 of 4096 (2,1,0,1,0,15) R0F-M0-N12-J22
Task 2608 of 4096 (2,1,0,1,1,0) R0F-M0-N12-J17
Task 2609 of 4096 (2,1,0,1,1,1) R0F-M0-N12-J17
Task 2610 of 4096 (2,1,0,1,1,2) R0F-M0-N12-J17
Task 2611 of 4096 (2,1,0,1,1,3) R0F-M0-N12-J17
Task 2612 of 4096 (2,1,0,1,1,4) R0F-M0-N12-J17
Task 2613 of 4096 (2,1,0,1,1,5) R0F-M0-N12-J17
Task 2614 of 4096 (2,1,0,1,1,6) R0F-M0-N12-J17
Task 2615 of 4096 (2,1,0,1,1,7) R0F-M0-N12-J17
Task 2616 of 4096 (2,1,0,1,1,8) R0F-M0-N12-J17
Task 2617 of 4096 (2,1,0,1,1,9) R0F-M0-N12-J17
Task 2618 of 4096 (2,1,0,1,1,10) R0F-M0-N12-J17
Task 2619 of 4096 (2,1,0,1,1,11) R0F-M0-N12-J17
Task 2620 of 4096 (2,1,0,1,1,12) R0F-M0-N12-J17
Task 2621 of 4096 (2,1,0,1,1,13) R0F-M0-N12-J17
Task 2622 of 4096 (2,1,0,1,1,14) R0F-M0-N12-J17
Task 2623 of 4096 (2,1,0,1,1,15) R0F-M0-N12-J17
Task 2624 of 4096 (2,1,0,2,0,0) R0F-M0-N14-J22
Task 2625 of 4096 (2,1,0,2,0,1) R0F-M0-N14-J22
Task 2626 of 4096 (2,1,0,2,0,2) R0F-M0-N14-J22
Task 2627 of 4096 (2,1,0,2,0,3) R0F-M0-N14-J22
Task 2628 of 4096 (2,1,0,2,0,4) R0F-M0-N14-J22
Task 2629 of 4096 (2,1,0,2,0,5) R0F-M0-N14-J22
Task 2630 of 4096 (2,1,0,2,0,6) R0F-M0-N14-J22
Task 2631 of 4096 (2,1,0,2,0,7) R0F-M0-N14-J22
Task 2632 of 4096 (2,1,0,2,0,8) R0F-M0-N14-J22
Task 2633 of 4096 (2,1,0,2,0,9) R0F-M0-N14-J22
Task 2634 of 4096 (2,1,0,2,0,10) R0F-M0-N14-J22
Task 2635 of 4096 (2,1,0,2,0,11) R0F-M0-N14-J22
Task 2636 of 4096 (2,1,0,2,0,12) R0F-M0-N14-J22
Task 2637 of 4096 (2,1,0,2,0,13) R0F-M0-N14-J22
Task 2638 of 4096 (2,1,0,2,0,14) R0F-M0-N14-J22
Task 2639 of 4096 (2,1,0,2,0,15) R0F-M0-N14-J22
Task 2640 of 4096 (2,1,0,2,1,0) R0F-M0-N14-J17
Task 2641 of 4096 (2,1,0,2,1,1) R0F-M0-N14-J17
Task 2642 of 4096 (2,1,0,2,1,2) R0F-M0-N14-J17
Task 2643 of 4096 (2,1,0,2,1,3) R0F-M0-N14-J17
Task 2644 of 4096 (2,1,0,2,1,4) R0F-M0-N14-J17
Task 2645 of 4096 (2,1,0,2,1,5) R0F-M0-N14-J17
Task 2646 of 4096 (2,1,0,2,1,6) R0F-M0-N14-J17
Task 2647 of 4096 (2,1,0,2,1,7) R0F-M0-N14-J17
Task 2648 of 4096 (2,1,0,2,1,8) R0F-M0-N14-J17
Task 2649 of 4096 (2,1,0,2,1,9) R0F-M0-N14-J17
Task 2650 of 4096 (2,1,0,2,1,10) R0F-M0-N14-J17
Task 2651 of 4096 (2,1,0,2,1,11) R0F-M0-N14-J17
Task 2652 of 4096 (2,1,0,2,1,12) R0F-M0-N14-J17
Task 2653 of 4096 (2,1,0,2,1,13) R0F-M0-N14-J17
Task 2654 of 4096 (2,1,0,2,1,14) R0F-M0-N14-J17
Task 2655 of 4096 (2,1,0,2,1,15) R0F-M0-N14-J17
Task 2656 of 4096 (2,1,0,3,0,0) R0F-M0-N14-J26
Task 2657 of 4096 (2,1,0,3,0,1) R0F-M0-N14-J26
Task 2658 of 4096 (2,1,0,3,0,2) R0F-M0-N14-J26
Task 2659 of 4096 (2,1,0,3,0,3) R0F-M0-N14-J26
Task 2660 of 4096 (2,1,0,3,0,4) R0F-M0-N14-J26
Task 2661 of 4096 (2,1,0,3,0,5) R0F-M0-N14-J26
Task 2662 of 4096 (2,1,0,3,0,6) R0F-M0-N14-J26
Task 2663 of 4096 (2,1,0,3,0,7) R0F-M0-N14-J26
Task 2664 of 4096 (2,1,0,3,0,8) R0F-M0-N14-J26
Task 2665 of 4096 (2,1,0,3,0,9) R0F-M0-N14-J26
Task 2666 of 4096 (2,1,0,3,0,10) R0F-M0-N14-J26
Task 2667 of 4096 (2,1,0,3,0,11) R0F-M0-N14-J26
Task 2668 of 4096 (2,1,0,3,0,12) R0F-M0-N14-J26
Task 2669 of 4096 (2,1,0,3,0,13) R0F-M0-N14-J26
Task 2670 of 4096 (2,1,0,3,0,14) R0F-M0-N14-J26
Task 2671 of 4096 (2,1,0,3,0,15) R0F-M0-N14-J26
Task 2672 of 4096 (2,1,0,3,1,0) R0F-M0-N14-J29
Task 2673 of 4096 (2,1,0,3,1,1) R0F-M0-N14-J29
Task 2674 of 4096 (2,1,0,3,1,2) R0F-M0-N14-J29
Task 2675 of 4096 (2,1,0,3,1,3) R0F-M0-N14-J29
Task 2676 of 4096 (2,1,0,3,1,4) R0F-M0-N14-J29
Task 2677 of 4096 (2,1,0,3,1,5) R0F-M0-N14-J29
Task 2678 of 4096 (2,1,0,3,1,6) R0F-M0-N14-J29
Task 2679 of 4096 (2,1,0,3,1,7) R0F-M0-N14-J29
Task 2680 of 4096 (2,1,0,3,1,8) R0F-M0-N14-J29
Task 2681 of 4096 (2,1,0,3,1,9) R0F-M0-N14-J29
Task 2682 of 4096 (2,1,0,3,1,10) R0F-M0-N14-J29
Task 2683 of 4096 (2,1,0,3,1,11) R0F-M0-N14-J29
Task 2684 of 4096 (2,1,0,3,1,12) R0F-M0-N14-J29
Task 2685 of 4096 (2,1,0,3,1,13) R0F-M0-N14-J29
Task 2686 of 4096 (2,1,0,3,1,14) R0F-M0-N14-J29
Task 2687 of 4096 (2,1,0,3,1,15) R0F-M0-N14-J29
Task 2688 of 4096 (2,1,1,0,0,0) R0F-M0-N12-J27
Task 2689 of 4096 (2,1,1,0,0,1) R0F-M0-N12-J27
Task 2690 of 4096 (2,1,1,0,0,2) R0F-M0-N12-J27
Task 2691 of 4096 (2,1,1,0,0,3) R0F-M0-N12-J27
Task 2692 of 4096 (2,1,1,0,0,4) R0F-M0-N12-J27
Task 2693 of 4096 (2,1,1,0,0,5) R0F-M0-N12-J27
Task 2694 of 4096 (2,1,1,0,0,6) R0F-M0-N12-J27
Task 2695 of 4096 (2,1,1,0,0,7) R0F-M0-N12-J27
Task 2696 of 4096 (2,1,1,0,0,8) R0F-M0-N12-J27
Task 2697 of 4096 (2,1,1,0,0,9) R0F-M0-N12-J27
Task 2698 of 4096 (2,1,1,0,0,10) R0F-M0-N12-J27
Task 2699 of 4096 (2,1,1,0,0,11) R0F-M0-N12-J27
Task 2700 of 4096 (2,1,1,0,0,12) R0F-M0-N12-J27
Task 2701 of 4096 (2,1,1,0,0,13) R0F-M0-N12-J27
Task 2702 of 4096 (2,1,1,0,0,14) R0F-M0-N12-J27
Task 2703 of 4096 (2,1,1,0,0,15) R0F-M0-N12-J27
Task 2704 of 4096 (2,1,1,0,1,0) R0F-M0-N12-J28
Task 2705 of 4096 (2,1,1,0,1,1) R0F-M0-N12-J28
Task 2706 of 4096 (2,1,1,0,1,2) R0F-M0-N12-J28
Task 2707 of 4096 (2,1,1,0,1,3) R0F-M0-N12-J28
Task 2708 of 4096 (2,1,1,0,1,4) R0F-M0-N12-J28
Task 2709 of 4096 (2,1,1,0,1,5) R0F-M0-N12-J28
Task 2710 of 4096 (2,1,1,0,1,6) R0F-M0-N12-J28
Task 2711 of 4096 (2,1,1,0,1,7) R0F-M0-N12-J28
Task 2712 of 4096 (2,1,1,0,1,8) R0F-M0-N12-J28
Task 2713 of 4096 (2,1,1,0,1,9) R0F-M0-N12-J28
Task 2714 of 4096 (2,1,1,0,1,10) R0F-M0-N12-J28
Task 2715 of 4096 (2,1,1,0,1,11) R0F-M0-N12-J28
Task 2716 of 4096 (2,1,1,0,1,12) R0F-M0-N12-J28
Task 2717 of 4096 (2,1,1,0,1,13) R0F-M0-N12-J28
Task 2718 of 4096 (2,1,1,0,1,14) R0F-M0-N12-J28
Task 2719 of 4096 (2,1,1,0,1,15) R0F-M0-N12-J28
Task 2720 of 4096 (2,1,1,1,0,0) R0F-M0-N12-J23
Task 2721 of 4096 (2,1,1,1,0,1) R0F-M0-N12-J23
Task 2722 of 4096 (2,1,1,1,0,2) R0F-M0-N12-J23
Task 2723 of 4096 (2,1,1,1,0,3) R0F-M0-N12-J23
Task 2724 of 4096 (2,1,1,1,0,4) R0F-M0-N12-J23
Task 2725 of 4096 (2,1,1,1,0,5) R0F-M0-N12-J23
Task 2726 of 4096 (2,1,1,1,0,6) R0F-M0-N12-J23
Task 2727 of 4096 (2,1,1,1,0,7) R0F-M0-N12-J23
Task 2728 of 4096 (2,1,1,1,0,8) R0F-M0-N12-J23
Task 2729 of 4096 (2,1,1,1,0,9) R0F-M0-N12-J23
Task 2730 of 4096 (2,1,1,1,0,10) R0F-M0-N12-J23
Task 2731 of 4096 (2,1,1,1,0,11) R0F-M0-N12-J23
Task 2732 of 4096 (2,1,1,1,0,12) R0F-M0-N12-J23
Task 2733 of 4096 (2,1,1,1,0,13) R0F-M0-N12-J23
Task 2734 of 4096 (2,1,1,1,0,14) R0F-M0-N12-J23
Task 2735 of 4096 (2,1,1,1,0,15) R0F-M0-N12-J23
Task 2736 of 4096 (2,1,1,1,1,0) R0F-M0-N12-J16
Task 2737 of 4096 (2,1,1,1,1,1) R0F-M0-N12-J16
Task 2738 of 4096 (2,1,1,1,1,2) R0F-M0-N12-J16
Task 2739 of 4096 (2,1,1,1,1,3) R0F-M0-N12-J16
Task 2740 of 4096 (2,1,1,1,1,4) R0F-M0-N12-J16
Task 2741 of 4096 (2,1,1,1,1,5) R0F-M0-N12-J16
Task 2742 of 4096 (2,1,1,1,1,6) R0F-M0-N12-J16
Task 2743 of 4096 (2,1,1,1,1,7) R0F-M0-N12-J16
Task 2744 of 4096 (2,1,1,1,1,8) R0F-M0-N12-J16
Task 2745 of 4096 (2,1,1,1,1,9) R0F-M0-N12-J16
Task 2746 of 4096 (2,1,1,1,1,10) R0F-M0-N12-J16
Task 2747 of 4096 (2,1,1,1,1,11) R0F-M0-N12-J16
Task 2748 of 4096 (2,1,1,1,1,12) R0F-M0-N12-J16
Task 2749 of 4096 (2,1,1,1,1,13) R0F-M0-N12-J16
Task 2750 of 4096 (2,1,1,1,1,14) R0F-M0-N12-J16
Task 2751 of 4096 (2,1,1,1,1,15) R0F-M0-N12-J16
Task 2752 of 4096 (2,1,1,2,0,0) R0F-M0-N14-J23
Task 2753 of 4096 (2,1,1,2,0,1) R0F-M0-N14-J23
Task 2754 of 4096 (2,1,1,2,0,2) R0F-M0-N14-J23
Task 2755 of 4096 (2,1,1,2,0,3) R0F-M0-N14-J23
Task 2756 of 4096 (2,1,1,2,0,4) R0F-M0-N14-J23
Task 2757 of 4096 (2,1,1,2,0,5) R0F-M0-N14-J23
Task 2758 of 4096 (2,1,1,2,0,6) R0F-M0-N14-J23
Task 2759 of 4096 (2,1,1,2,0,7) R0F-M0-N14-J23
Task 2760 of 4096 (2,1,1,2,0,8) R0F-M0-N14-J23
Task 2761 of 4096 (2,1,1,2,0,9) R0F-M0-N14-J23
Task 2762 of 4096 (2,1,1,2,0,10) R0F-M0-N14-J23
Task 2763 of 4096 (2,1,1,2,0,11) R0F-M0-N14-J23
Task 2764 of 4096 (2,1,1,2,0,12) R0F-M0-N14-J23
Task 2765 of 4096 (2,1,1,2,0,13) R0F-M0-N14-J23
Task 2766 of 4096 (2,1,1,2,0,14) R0F-M0-N14-J23
Task 2767 of 4096 (2,1,1,2,0,15) R0F-M0-N14-J23
Task 2768 of 4096 (2,1,1,2,1,0) R0F-M0-N14-J16
Task 2769 of 4096 (2,1,1,2,1,1) R0F-M0-N14-J16
Task 2770 of 4096 (2,1,1,2,1,2) R0F-M0-N14-J16
Task 2771 of 4096 (2,1,1,2,1,3) R0F-M0-N14-J16
Task 2772 of 4096 (2,1,1,2,1,4) R0F-M0-N14-J16
Task 2773 of 4096 (2,1,1,2,1,5) R0F-M0-N14-J16
Task 2774 of 4096 (2,1,1,2,1,6) R0F-M0-N14-J16
Task 2775 of 4096 (2,1,1,2,1,7) R0F-M0-N14-J16
Task 2776 of 4096 (2,1,1,2,1,8) R0F-M0-N14-J16
Task 2777 of 4096 (2,1,1,2,1,9) R0F-M0-N14-J16
Task 2778 of 4096 (2,1,1,2,1,10) R0F-M0-N14-J16
Task 2779 of 4096 (2,1,1,2,1,11) R0F-M0-N14-J16
Task 2780 of 4096 (2,1,1,2,1,12) R0F-M0-N14-J16
Task 2781 of 4096 (2,1,1,2,1,13) R0F-M0-N14-J16
Task 2782 of 4096 (2,1,1,2,1,14) R0F-M0-N14-J16
Task 2783 of 4096 (2,1,1,2,1,15) R0F-M0-N14-J16
Task 2784 of 4096 (2,1,1,3,0,0) R0F-M0-N14-J27
Task 2785 of 4096 (2,1,1,3,0,1) R0F-M0-N14-J27
Task 2786 of 4096 (2,1,1,3,0,2) R0F-M0-N14-J27
Task 2787 of 4096 (2,1,1,3,0,3) R0F-M0-N14-J27
Task 2788 of 4096 (2,1,1,3,0,4) R0F-M0-N14-J27
Task 2789 of 4096 (2,1,1,3,0,5) R0F-M0-N14-J27
Task 2790 of 4096 (2,1,1,3,0,6) R0F-M0-N14-J27
Task 2791 of 4096 (2,1,1,3,0,7) R0F-M0-N14-J27
Task 2792 of 4096 (2,1,1,3,0,8) R0F-M0-N14-J27
Task 2793 of 4096 (2,1,1,3,0,9) R0F-M0-N14-J27
Task 2794 of 4096 (2,1,1,3,0,10) R0F-M0-N14-J27
Task 2795 of 4096 (2,1,1,3,0,11) R0F-M0-N14-J27
Task 2796 of 4096 (2,1,1,3,0,12) R0F-M0-N14-J27
Task 2797 of 4096 (2,1,1,3,0,13) R0F-M0-N14-J27
Task 2798 of 4096 (2,1,1,3,0,14) R0F-M0-N14-J27
Task 2799 of 4096 (2,1,1,3,0,15) R0F-M0-N14-J27
Task 2800 of 4096 (2,1,1,3,1,0) R0F-M0-N14-J28
Task 2801 of 4096 (2,1,1,3,1,1) R0F-M0-N14-J28
Task 2802 of 4096 (2,1,1,3,1,2) R0F-M0-N14-J28
Task 2803 of 4096 (2,1,1,3,1,3) R0F-M0-N14-J28
Task 2804 of 4096 (2,1,1,3,1,4) R0F-M0-N14-J28
Task 2805 of 4096 (2,1,1,3,1,5) R0F-M0-N14-J28
Task 2806 of 4096 (2,1,1,3,1,6) R0F-M0-N14-J28
Task 2807 of 4096 (2,1,1,3,1,7) R0F-M0-N14-J28
Task 2808 of 4096 (2,1,1,3,1,8) R0F-M0-N14-J28
Task 2809 of 4096 (2,1,1,3,1,9) R0F-M0-N14-J28
Task 2810 of 4096 (2,1,1,3,1,10) R0F-M0-N14-J28
Task 2811 of 4096 (2,1,1,3,1,11) R0F-M0-N14-J28
Task 2812 of 4096 (2,1,1,3,1,12) R0F-M0-N14-J28
Task 2813 of 4096 (2,1,1,3,1,13) R0F-M0-N14-J28
Task 2814 of 4096 (2,1,1,3,1,14) R0F-M0-N14-J28
Task 2815 of 4096 (2,1,1,3,1,15) R0F-M0-N14-J28
Task 2816 of 4096 (2,1,2,0,0,0) R0F-M0-N13-J27
Task 2817 of 4096 (2,1,2,0,0,1) R0F-M0-N13-J27
Task 2818 of 4096 (2,1,2,0,0,2) R0F-M0-N13-J27
Task 2819 of 4096 (2,1,2,0,0,3) R0F-M0-N13-J27
Task 2820 of 4096 (2,1,2,0,0,4) R0F-M0-N13-J27
Task 2821 of 4096 (2,1,2,0,0,5) R0F-M0-N13-J27
Task 2822 of 4096 (2,1,2,0,0,6) R0F-M0-N13-J27
Task 2823 of 4096 (2,1,2,0,0,7) R0F-M0-N13-J27
Task 2824 of 4096 (2,1,2,0,0,8) R0F-M0-N13-J27
Task 2825 of 4096 (2,1,2,0,0,9) R0F-M0-N13-J27
Task 2826 of 4096 (2,1,2,0,0,10) R0F-M0-N13-J27
Task 2827 of 4096 (2,1,2,0,0,11) R0F-M0-N13-J27
Task 2828 of 4096 (2,1,2,0,0,12) R0F-M0-N13-J27
Task 2829 of 4096 (2,1,2,0,0,13) R0F-M0-N13-J27
Task 2830 of 4096 (2,1,2,0,0,14) R0F-M0-N13-J27
Task 2831 of 4096 (2,1,2,0,0,15) R0F-M0-N13-J27
Task 2832 of 4096 (2,1,2,0,1,0) R0F-M0-N13-J28
Task 2833 of 4096 (2,1,2,0,1,1) R0F-M0-N13-J28
Task 2834 of 4096 (2,1,2,0,1,2) R0F-M0-N13-J28
Task 2835 of 4096 (2,1,2,0,1,3) R0F-M0-N13-J28
Task 2836 of 4096 (2,1,2,0,1,4) R0F-M0-N13-J28
Task 2837 of 4096 (2,1,2,0,1,5) R0F-M0-N13-J28
Task 2838 of 4096 (2,1,2,0,1,6) R0F-M0-N13-J28
Task 2839 of 4096 (2,1,2,0,1,7) R0F-M0-N13-J28
Task 2840 of 4096 (2,1,2,0,1,8) R0F-M0-N13-J28
Task 2841 of 4096 (2,1,2,0,1,9) R0F-M0-N13-J28
Task 2842 of 4096 (2,1,2,0,1,10) R0F-M0-N13-J28
Task 2843 of 4096 (2,1,2,0,1,11) R0F-M0-N13-J28
Task 2844 of 4096 (2,1,2,0,1,12) R0F-M0-N13-J28
Task 2845 of 4096 (2,1,2,0,1,13) R0F-M0-N13-J28
Task 2846 of 4096 (2,1,2,0,1,14) R0F-M0-N13-J28
Task 2847 of 4096 (2,1,2,0,1,15) R0F-M0-N13-J28
Task 2848 of 4096 (2,1,2,1,0,0) R0F-M0-N13-J23
Task 2849 of 4096 (2,1,2,1,0,1) R0F-M0-N13-J23
Task 2850 of 4096 (2,1,2,1,0,2) R0F-M0-N13-J23
Task 2851 of 4096 (2,1,2,1,0,3) R0F-M0-N13-J23
Task 2852 of 4096 (2,1,2,1,0,4) R0F-M0-N13-J23
Task 2853 of 4096 (2,1,2,1,0,5) R0F-M0-N13-J23
Task 2854 of 4096 (2,1,2,1,0,6) R0F-M0-N13-J23
Task 2855 of 4096 (2,1,2,1,0,7) R0F-M0-N13-J23
Task 2856 of 4096 (2,1,2,1,0,8) R0F-M0-N13-J23
Task 2857 of 4096 (2,1,2,1,0,9) R0F-M0-N13-J23
Task 2858 of 4096 (2,1,2,1,0,10) R0F-M0-N13-J23
Task 2859 of 4096 (2,1,2,1,0,11) R0F-M0-N13-J23
Task 2860 of 4096 (2,1,2,1,0,12) R0F-M0-N13-J23
Task 2861 of 4096 (2,1,2,1,0,13) R0F-M0-N13-J23
Task 2862 of 4096 (2,1,2,1,0,14) R0F-M0-N13-J23
Task 2863 of 4096 (2,1,2,1,0,15) R0F-M0-N13-J23
Task 2864 of 4096 (2,1,2,1,1,0) R0F-M0-N13-J16
Task 2865 of 4096 (2,1,2,1,1,1) R0F-M0-N13-J16
Task 2866 of 4096 (2,1,2,1,1,2) R0F-M0-N13-J16
Task 2867 of 4096 (2,1,2,1,1,3) R0F-M0-N13-J16
Task 2868 of 4096 (2,1,2,1,1,4) R0F-M0-N13-J16
Task 2869 of 4096 (2,1,2,1,1,5) R0F-M0-N13-J16
Task 2870 of 4096 (2,1,2,1,1,6) R0F-M0-N13-J16
Task 2871 of 4096 (2,1,2,1,1,7) R0F-M0-N13-J16
Task 2872 of 4096 (2,1,2,1,1,8) R0F-M0-N13-J16
Task 2873 of 4096 (2,1,2,1,1,9) R0F-M0-N13-J16
Task 2874 of 4096 (2,1,2,1,1,10) R0F-M0-N13-J16
Task 2875 of 4096 (2,1,2,1,1,11) R0F-M0-N13-J16
Task 2876 of 4096 (2,1,2,1,1,12) R0F-M0-N13-J16
Task 2877 of 4096 (2,1,2,1,1,13) R0F-M0-N13-J16
Task 2878 of 4096 (2,1,2,1,1,14) R0F-M0-N13-J16
Task 2879 of 4096 (2,1,2,1,1,15) R0F-M0-N13-J16
Task 2880 of 4096 (2,1,2,2,0,0) R0F-M0-N15-J23
Task 2881 of 4096 (2,1,2,2,0,1) R0F-M0-N15-J23
Task 2882 of 4096 (2,1,2,2,0,2) R0F-M0-N15-J23
Task 2883 of 4096 (2,1,2,2,0,3) R0F-M0-N15-J23
Task 2884 of 4096 (2,1,2,2,0,4) R0F-M0-N15-J23
Task 2885 of 4096 (2,1,2,2,0,5) R0F-M0-N15-J23
Task 2886 of 4096 (2,1,2,2,0,6) R0F-M0-N15-J23
Task 2887 of 4096 (2,1,2,2,0,7) R0F-M0-N15-J23
Task 2888 of 4096 (2,1,2,2,0,8) R0F-M0-N15-J23
Task 2889 of 4096 (2,1,2,2,0,9) R0F-M0-N15-J23
Task 2890 of 4096 (2,1,2,2,0,10) R0F-M0-N15-J23
Task 2891 of 4096 (2,1,2,2,0,11) R0F-M0-N15-J23
Task 2892 of 4096 (2,1,2,2,0,12) R0F-M0-N15-J23
Task 2893 of 4096 (2,1,2,2,0,13) R0F-M0-N15-J23
Task 2894 of 4096 (2,1,2,2,0,14) R0F-M0-N15-J23
Task 2895 of 4096 (2,1,2,2,0,15) R0F-M0-N15-J23
Task 2896 of 4096 (2,1,2,2,1,0) R0F-M0-N15-J16
Task 2897 of 4096 (2,1,2,2,1,1) R0F-M0-N15-J16
Task 2898 of 4096 (2,1,2,2,1,2) R0F-M0-N15-J16
Task 2899 of 4096 (2,1,2,2,1,3) R0F-M0-N15-J16
Task 2900 of 4096 (2,1,2,2,1,4) R0F-M0-N15-J16
Task 2901 of 4096 (2,1,2,2,1,5) R0F-M0-N15-J16
Task 2902 of 4096 (2,1,2,2,1,6) R0F-M0-N15-J16
Task 2903 of 4096 (2,1,2,2,1,7) R0F-M0-N15-J16
Task 2904 of 4096 (2,1,2,2,1,8) R0F-M0-N15-J16
Task 2905 of 4096 (2,1,2,2,1,9) R0F-M0-N15-J16
Task 2906 of 4096 (2,1,2,2,1,10) R0F-M0-N15-J16
Task 2907 of 4096 (2,1,2,2,1,11) R0F-M0-N15-J16
Task 2908 of 4096 (2,1,2,2,1,12) R0F-M0-N15-J16
Task 2909 of 4096 (2,1,2,2,1,13) R0F-M0-N15-J16
Task 2910 of 4096 (2,1,2,2,1,14) R0F-M0-N15-J16
Task 2911 of 4096 (2,1,2,2,1,15) R0F-M0-N15-J16
Task 2912 of 4096 (2,1,2,3,0,0) R0F-M0-N15-J27
Task 2913 of 4096 (2,1,2,3,0,1) R0F-M0-N15-J27
Task 2914 of 4096 (2,1,2,3,0,2) R0F-M0-N15-J27
Task 2915 of 4096 (2,1,2,3,0,3) R0F-M0-N15-J27
Task 2916 of 4096 (2,1,2,3,0,4) R0F-M0-N15-J27
Task 2917 of 4096 (2,1,2,3,0,5) R0F-M0-N15-J27
Task 2918 of 4096 (2,1,2,3,0,6) R0F-M0-N15-J27
Task 2919 of 4096 (2,1,2,3,0,7) R0F-M0-N15-J27
Task 2920 of 4096 (2,1,2,3,0,8) R0F-M0-N15-J27
Task 2921 of 4096 (2,1,2,3,0,9) R0F-M0-N15-J27
Task 2922 of 4096 (2,1,2,3,0,10) R0F-M0-N15-J27
Task 2923 of 4096 (2,1,2,3,0,11) R0F-M0-N15-J27
Task 2924 of 4096 (2,1,2,3,0,12) R0F-M0-N15-J27
Task 2925 of 4096 (2,1,2,3,0,13) R0F-M0-N15-J27
Task 2926 of 4096 (2,1,2,3,0,14) R0F-M0-N15-J27
Task 2927 of 4096 (2,1,2,3,0,15) R0F-M0-N15-J27
Task 2928 of 4096 (2,1,2,3,1,0) R0F-M0-N15-J28
Task 2929 of 4096 (2,1,2,3,1,1) R0F-M0-N15-J28
Task 2930 of 4096 (2,1,2,3,1,2) R0F-M0-N15-J28
Task 2931 of 4096 (2,1,2,3,1,3) R0F-M0-N15-J28
Task 2932 of 4096 (2,1,2,3,1,4) R0F-M0-N15-J28
Task 2933 of 4096 (2,1,2,3,1,5) R0F-M0-N15-J28
Task 2934 of 4096 (2,1,2,3,1,6) R0F-M0-N15-J28
Task 2935 of 4096 (2,1,2,3,1,7) R0F-M0-N15-J28
Task 2936 of 4096 (2,1,2,3,1,8) R0F-M0-N15-J28
Task 2937 of 4096 (2,1,2,3,1,9) R0F-M0-N15-J28
Task 2938 of 4096 (2,1,2,3,1,10) R0F-M0-N15-J28
Task 2939 of 4096 (2,1,2,3,1,11) R0F-M0-N15-J28
Task 2940 of 4096 (2,1,2,3,1,12) R0F-M0-N15-J28
Task 2941 of 4096 (2,1,2,3,1,13) R0F-M0-N15-J28
Task 2942 of 4096 (2,1,2,3,1,14) R0F-M0-N15-J28
Task 2943 of 4096 (2,1,2,3,1,15) R0F-M0-N15-J28
Task 2944 of 4096 (2,1,3,0,0,0) R0F-M0-N13-J26
Task 2945 of 4096 (2,1,3,0,0,1) R0F-M0-N13-J26
Task 2946 of 4096 (2,1,3,0,0,2) R0F-M0-N13-J26
Task 2947 of 4096 (2,1,3,0,0,3) R0F-M0-N13-J26
Task 2948 of 4096 (2,1,3,0,0,4) R0F-M0-N13-J26
Task 2949 of 4096 (2,1,3,0,0,5) R0F-M0-N13-J26
Task 2950 of 4096 (2,1,3,0,0,6) R0F-M0-N13-J26
Task 2951 of 4096 (2,1,3,0,0,7) R0F-M0-N13-J26
Task 2952 of 4096 (2,1,3,0,0,8) R0F-M0-N13-J26
Task 2953 of 4096 (2,1,3,0,0,9) R0F-M0-N13-J26
Task 2954 of 4096 (2,1,3,0,0,10) R0F-M0-N13-J26
Task 2955 of 4096 (2,1,3,0,0,11) R0F-M0-N13-J26
Task 2956 of 4096 (2,1,3,0,0,12) R0F-M0-N13-J26
Task 2957 of 4096 (2,1,3,0,0,13) R0F-M0-N13-J26
Task 2958 of 4096 (2,1,3,0,0,14) R0F-M0-N13-J26
Task 2959 of 4096 (2,1,3,0,0,15) R0F-M0-N13-J26
Task 2960 of 4096 (2,1,3,0,1,0) R0F-M0-N13-J29
Task 2961 of 4096 (2,1,3,0,1,1) R0F-M0-N13-J29
Task 2962 of 4096 (2,1,3,0,1,2) R0F-M0-N13-J29
Task 2963 of 4096 (2,1,3,0,1,3) R0F-M0-N13-J29
Task 2964 of 4096 (2,1,3,0,1,4) R0F-M0-N13-J29
Task 2965 of 4096 (2,1,3,0,1,5) R0F-M0-N13-J29
Task 2966 of 4096 (2,1,3,0,1,6) R0F-M0-N13-J29
Task 2967 of 4096 (2,1,3,0,1,7) R0F-M0-N13-J29
Task 2968 of 4096 (2,1,3,0,1,8) R0F-M0-N13-J29
Task 2969 of 4096 (2,1,3,0,1,9) R0F-M0-N13-J29
Task 2970 of 4096 (2,1,3,0,1,10) R0F-M0-N13-J29
Task 2971 of 4096 (2,1,3,0,1,11) R0F-M0-N13-J29
Task 2972 of 4096 (2,1,3,0,1,12) R0F-M0-N13-J29
Task 2973 of 4096 (2,1,3,0,1,13) R0F-M0-N13-J29
Task 2974 of 4096 (2,1,3,0,1,14) R0F-M0-N13-J29
Task 2975 of 4096 (2,1,3,0,1,15) R0F-M0-N13-J29
Task 2976 of 4096 (2,1,3,1,0,0) R0F-M0-N13-J22
Task 2977 of 4096 (2,1,3,1,0,1) R0F-M0-N13-J22
Task 2978 of 4096 (2,1,3,1,0,2) R0F-M0-N13-J22
Task 2979 of 4096 (2,1,3,1,0,3) R0F-M0-N13-J22
Task 2980 of 4096 (2,1,3,1,0,4) R0F-M0-N13-J22
Task 2981 of 4096 (2,1,3,1,0,5) R0F-M0-N13-J22
Task 2982 of 4096 (2,1,3,1,0,6) R0F-M0-N13-J22
Task 2983 of 4096 (2,1,3,1,0,7) R0F-M0-N13-J22
Task 2984 of 4096 (2,1,3,1,0,8) R0F-M0-N13-J22
Task 2985 of 4096 (2,1,3,1,0,9) R0F-M0-N13-J22
Task 2986 of 4096 (2,1,3,1,0,10) R0F-M0-N13-J22
Task 2987 of 4096 (2,1,3,1,0,11) R0F-M0-N13-J22
Task 2988 of 4096 (2,1,3,1,0,12) R0F-M0-N13-J22
Task 2989 of 4096 (2,1,3,1,0,13) R0F-M0-N13-J22
Task 2990 of 4096 (2,1,3,1,0,14) R0F-M0-N13-J22
Task 2991 of 4096 (2,1,3,1,0,15) R0F-M0-N13-J22
Task 2992 of 4096 (2,1,3,1,1,0) R0F-M0-N13-J17
Task 2993 of 4096 (2,1,3,1,1,1) R0F-M0-N13-J17
Task 2994 of 4096 (2,1,3,1,1,2) R0F-M0-N13-J17
Task 2995 of 4096 (2,1,3,1,1,3) R0F-M0-N13-J17
Task 2996 of 4096 (2,1,3,1,1,4) R0F-M0-N13-J17
Task 2997 of 4096 (2,1,3,1,1,5) R0F-M0-N13-J17
Task 2998 of 4096 (2,1,3,1,1,6) R0F-M0-N13-J17
Task 2999 of 4096 (2,1,3,1,1,7) R0F-M0-N13-J17
Task 3000 of 4096 (2,1,3,1,1,8) R0F-M0-N13-J17
Task 3001 of 4096 (2,1,3,1,1,9) R0F-M0-N13-J17
Task 3002 of 4096 (2,1,3,1,1,10) R0F-M0-N13-J17
Task 3003 of 4096 (2,1,3,1,1,11) R0F-M0-N13-J17
Task 3004 of 4096 (2,1,3,1,1,12) R0F-M0-N13-J17
Task 3005 of 4096 (2,1,3,1,1,13) R0F-M0-N13-J17
Task 3006 of 4096 (2,1,3,1,1,14) R0F-M0-N13-J17
Task 3007 of 4096 (2,1,3,1,1,15) R0F-M0-N13-J17
Task 3008 of 4096 (2,1,3,2,0,0) R0F-M0-N15-J22
Task 3009 of 4096 (2,1,3,2,0,1) R0F-M0-N15-J22
Task 3010 of 4096 (2,1,3,2,0,2) R0F-M0-N15-J22
Task 3011 of 4096 (2,1,3,2,0,3) R0F-M0-N15-J22
Task 3012 of 4096 (2,1,3,2,0,4) R0F-M0-N15-J22
Task 3013 of 4096 (2,1,3,2,0,5) R0F-M0-N15-J22
Task 3014 of 4096 (2,1,3,2,0,6) R0F-M0-N15-J22
Task 3015 of 4096 (2,1,3,2,0,7) R0F-M0-N15-J22
Task 3016 of 4096 (2,1,3,2,0,8) R0F-M0-N15-J22
Task 3017 of 4096 (2,1,3,2,0,9) R0F-M0-N15-J22
Task 3018 of 4096 (2,1,3,2,0,10) R0F-M0-N15-J22
Task 3019 of 4096 (2,1,3,2,0,11) R0F-M0-N15-J22
Task 3020 of 4096 (2,1,3,2,0,12) R0F-M0-N15-J22
Task 3021 of 4096 (2,1,3,2,0,13) R0F-M0-N15-J22
Task 3022 of 4096 (2,1,3,2,0,14) R0F-M0-N15-J22
Task 3023 of 4096 (2,1,3,2,0,15) R0F-M0-N15-J22
Task 3024 of 4096 (2,1,3,2,1,0) R0F-M0-N15-J17
Task 3025 of 4096 (2,1,3,2,1,1) R0F-M0-N15-J17
Task 3026 of 4096 (2,1,3,2,1,2) R0F-M0-N15-J17
Task 3027 of 4096 (2,1,3,2,1,3) R0F-M0-N15-J17
Task 3028 of 4096 (2,1,3,2,1,4) R0F-M0-N15-J17
Task 3029 of 4096 (2,1,3,2,1,5) R0F-M0-N15-J17
Task 3030 of 4096 (2,1,3,2,1,6) R0F-M0-N15-J17
Task 3031 of 4096 (2,1,3,2,1,7) R0F-M0-N15-J17
Task 3032 of 4096 (2,1,3,2,1,8) R0F-M0-N15-J17
Task 3033 of 4096 (2,1,3,2,1,9) R0F-M0-N15-J17
Task 3034 of 4096 (2,1,3,2,1,10) R0F-M0-N15-J17
Task 3035 of 4096 (2,1,3,2,1,11) R0F-M0-N15-J17
Task 3036 of 4096 (2,1,3,2,1,12) R0F-M0-N15-J17
Task 3037 of 4096 (2,1,3,2,1,13) R0F-M0-N15-J17
Task 3038 of 4096 (2,1,3,2,1,14) R0F-M0-N15-J17
Task 3039 of 4096 (2,1,3,2,1,15) R0F-M0-N15-J17
Task 3040 of 4096 (2,1,3,3,0,0) R0F-M0-N15-J26
Task 3041 of 4096 (2,1,3,3,0,1) R0F-M0-N15-J26
Task 3042 of 4096 (2,1,3,3,0,2) R0F-M0-N15-J26
Task 3043 of 4096 (2,1,3,3,0,3) R0F-M0-N15-J26
Task 3044 of 4096 (2,1,3,3,0,4) R0F-M0-N15-J26
Task 3045 of 4096 (2,1,3,3,0,5) R0F-M0-N15-J26
Task 3046 of 4096 (2,1,3,3,0,6) R0F-M0-N15-J26
Task 3047 of 4096 (2,1,3,3,0,7) R0F-M0-N15-J26
Task 3048 of 4096 (2,1,3,3,0,8) R0F-M0-N15-J26
Task 3049 of 4096 (2,1,3,3,0,9) R0F-M0-N15-J26
Task 3050 of 4096 (2,1,3,3,0,10) R0F-M0-N15-J26
Task 3051 of 4096 (2,1,3,3,0,11) R0F-M0-N15-J26
Task 3052 of 4096 (2,1,3,3,0,12) R0F-M0-N15-J26
Task 3053 of 4096 (2,1,3,3,0,13) R0F-M0-N15-J26
Task 3054 of 4096 (2,1,3,3,0,14) R0F-M0-N15-J26
Task 3055 of 4096 (2,1,3,3,0,15) R0F-M0-N15-J26
Task 3056 of 4096 (2,1,3,3,1,0) R0F-M0-N15-J29
Task 3057 of 4096 (2,1,3,3,1,1) R0F-M0-N15-J29
Task 3058 of 4096 (2,1,3,3,1,2) R0F-M0-N15-J29
Task 3059 of 4096 (2,1,3,3,1,3) R0F-M0-N15-J29
Task 3060 of 4096 (2,1,3,3,1,4) R0F-M0-N15-J29
Task 3061 of 4096 (2,1,3,3,1,5) R0F-M0-N15-J29
Task 3062 of 4096 (2,1,3,3,1,6) R0F-M0-N15-J29
Task 3063 of 4096 (2,1,3,3,1,7) R0F-M0-N15-J29
Task 3064 of 4096 (2,1,3,3,1,8) R0F-M0-N15-J29
Task 3065 of 4096 (2,1,3,3,1,9) R0F-M0-N15-J29
Task 3066 of 4096 (2,1,3,3,1,10) R0F-M0-N15-J29
Task 3067 of 4096 (2,1,3,3,1,11) R0F-M0-N15-J29
Task 3068 of 4096 (2,1,3,3,1,12) R0F-M0-N15-J29
Task 3069 of 4096 (2,1,3,3,1,13) R0F-M0-N15-J29
Task 3070 of 4096 (2,1,3,3,1,14) R0F-M0-N15-J29
Task 3071 of 4096 (2,1,3,3,1,15) R0F-M0-N15-J29
Task 3072 of 4096 (3,0,0,0,0,0) R0F-M0-N12-J04
Task 3073 of 4096 (3,0,0,0,0,1) R0F-M0-N12-J04
Task 3074 of 4096 (3,0,0,0,0,2) R0F-M0-N12-J04
Task 3075 of 4096 (3,0,0,0,0,3) R0F-M0-N12-J04
Task 3076 of 4096 (3,0,0,0,0,4) R0F-M0-N12-J04
Task 3077 of 4096 (3,0,0,0,0,5) R0F-M0-N12-J04
Task 3078 of 4096 (3,0,0,0,0,6) R0F-M0-N12-J04
Task 3079 of 4096 (3,0,0,0,0,7) R0F-M0-N12-J04
Task 3080 of 4096 (3,0,0,0,0,8) R0F-M0-N12-J04
Task 3081 of 4096 (3,0,0,0,0,9) R0F-M0-N12-J04
Task 3082 of 4096 (3,0,0,0,0,10) R0F-M0-N12-J04
Task 3083 of 4096 (3,0,0,0,0,11) R0F-M0-N12-J04
Task 3084 of 4096 (3,0,0,0,0,12) R0F-M0-N12-J04
Task 3085 of 4096 (3,0,0,0,0,13) R0F-M0-N12-J04
Task 3086 of 4096 (3,0,0,0,0,14) R0F-M0-N12-J04
Task 3087 of 4096 (3,0,0,0,0,15) R0F-M0-N12-J04
Task 3088 of 4096 (3,0,0,0,1,0) R0F-M0-N12-J03
Task 3089 of 4096 (3,0,0,0,1,1) R0F-M0-N12-J03
Task 3090 of 4096 (3,0,0,0,1,2) R0F-M0-N12-J03
Task 3091 of 4096 (3,0,0,0,1,3) R0F-M0-N12-J03
Task 3092 of 4096 (3,0,0,0,1,4) R0F-M0-N12-J03
Task 3093 of 4096 (3,0,0,0,1,5) R0F-M0-N12-J03
Task 3094 of 4096 (3,0,0,0,1,6) R0F-M0-N12-J03
Task 3095 of 4096 (3,0,0,0,1,7) R0F-M0-N12-J03
Task 3096 of 4096 (3,0,0,0,1,8) R0F-M0-N12-J03
Task 3097 of 4096 (3,0,0,0,1,9) R0F-M0-N12-J03
Task 3098 of 4096 (3,0,0,0,1,10) R0F-M0-N12-J03
Task 3099 of 4096 (3,0,0,0,1,11) R0F-M0-N12-J03
Task 3100 of 4096 (3,0,0,0,1,12) R0F-M0-N12-J03
Task 3101 of 4096 (3,0,0,0,1,13) R0F-M0-N12-J03
Task 3102 of 4096 (3,0,0,0,1,14) R0F-M0-N12-J03
Task 3103 of 4096 (3,0,0,0,1,15) R0F-M0-N12-J03
Task 3104 of 4096 (3,0,0,1,0,0) R0F-M0-N12-J08
Task 3105 of 4096 (3,0,0,1,0,1) R0F-M0-N12-J08
Task 3106 of 4096 (3,0,0,1,0,2) R0F-M0-N12-J08
Task 3107 of 4096 (3,0,0,1,0,3) R0F-M0-N12-J08
Task 3108 of 4096 (3,0,0,1,0,4) R0F-M0-N12-J08
Task 3109 of 4096 (3,0,0,1,0,5) R0F-M0-N12-J08
Task 3110 of 4096 (3,0,0,1,0,6) R0F-M0-N12-J08
Task 3111 of 4096 (3,0,0,1,0,7) R0F-M0-N12-J08
Task 3112 of 4096 (3,0,0,1,0,8) R0F-M0-N12-J08
Task 3113 of 4096 (3,0,0,1,0,9) R0F-M0-N12-J08
Task 3114 of 4096 (3,0,0,1,0,10) R0F-M0-N12-J08
Task 3115 of 4096 (3,0,0,1,0,11) R0F-M0-N12-J08
Task 3116 of 4096 (3,0,0,1,0,12) R0F-M0-N12-J08
Task 3117 of 4096 (3,0,0,1,0,13) R0F-M0-N12-J08
Task 3118 of 4096 (3,0,0,1,0,14) R0F-M0-N12-J08
Task 3119 of 4096 (3,0,0,1,0,15) R0F-M0-N12-J08
Task 3120 of 4096 (3,0,0,1,1,0) R0F-M0-N12-J15
Task 3121 of 4096 (3,0,0,1,1,1) R0F-M0-N12-J15
Task 3122 of 4096 (3,0,0,1,1,2) R0F-M0-N12-J15
Task 3123 of 4096 (3,0,0,1,1,3) R0F-M0-N12-J15
Task 3124 of 4096 (3,0,0,1,1,4) R0F-M0-N12-J15
Task 3125 of 4096 (3,0,0,1,1,5) R0F-M0-N12-J15
Task 3126 of 4096 (3,0,0,1,1,6) R0F-M0-N12-J15
Task 3127 of 4096 (3,0,0,1,1,7) R0F-M0-N12-J15
Task 3128 of 4096 (3,0,0,1,1,8) R0F-M0-N12-J15
Task 3129 of 4096 (3,0,0,1,1,9) R0F-M0-N12-J15
Task 3130 of 4096 (3,0,0,1,1,10) R0F-M0-N12-J15
Task 3131 of 4096 (3,0,0,1,1,11) R0F-M0-N12-J15
Task 3132 of 4096 (3,0,0,1,1,12) R0F-M0-N12-J15
Task 3133 of 4096 (3,0,0,1,1,13) R0F-M0-N12-J15
Task 3134 of 4096 (3,0,0,1,1,14) R0F-M0-N12-J15
Task 3135 of 4096 (3,0,0,1,1,15) R0F-M0-N12-J15
Task 3136 of 4096 (3,0,0,2,0,0) R0F-M0-N14-J08
Task 3137 of 4096 (3,0,0,2,0,1) R0F-M0-N14-J08
Task 3138 of 4096 (3,0,0,2,0,2) R0F-M0-N14-J08
Task 3139 of 4096 (3,0,0,2,0,3) R0F-M0-N14-J08
Task 3140 of 4096 (3,0,0,2,0,4) R0F-M0-N14-J08
Task 3141 of 4096 (3,0,0,2,0,5) R0F-M0-N14-J08
Task 3142 of 4096 (3,0,0,2,0,6) R0F-M0-N14-J08
Task 3143 of 4096 (3,0,0,2,0,7) R0F-M0-N14-J08
Task 3144 of 4096 (3,0,0,2,0,8) R0F-M0-N14-J08
Task 3145 of 4096 (3,0,0,2,0,9) R0F-M0-N14-J08
Task 3146 of 4096 (3,0,0,2,0,10) R0F-M0-N14-J08
Task 3147 of 4096 (3,0,0,2,0,11) R0F-M0-N14-J08
Task 3148 of 4096 (3,0,0,2,0,12) R0F-M0-N14-J08
Task 3149 of 4096 (3,0,0,2,0,13) R0F-M0-N14-J08
Task 3150 of 4096 (3,0,0,2,0,14) R0F-M0-N14-J08
Task 3151 of 4096 (3,0,0,2,0,15) R0F-M0-N14-J08
Task 3152 of 4096 (3,0,0,2,1,0) R0F-M0-N14-J15
Task 3153 of 4096 (3,0,0,2,1,1) R0F-M0-N14-J15
Task 3154 of 4096 (3,0,0,2,1,2) R0F-M0-N14-J15
Task 3155 of 4096 (3,0,0,2,1,3) R0F-M0-N14-J15
Task 3156 of 4096 (3,0,0,2,1,4) R0F-M0-N14-J15
Task 3157 of 4096 (3,0,0,2,1,5) R0F-M0-N14-J15
Task 3158 of 4096 (3,0,0,2,1,6) R0F-M0-N14-J15
Task 3159 of 4096 (3,0,0,2,1,7) R0F-M0-N14-J15
Task 3160 of 4096 (3,0,0,2,1,8) R0F-M0-N14-J15
Task 3161 of 4096 (3,0,0,2,1,9) R0F-M0-N14-J15
Task 3162 of 4096 (3,0,0,2,1,10) R0F-M0-N14-J15
Task 3163 of 4096 (3,0,0,2,1,11) R0F-M0-N14-J15
Task 3164 of 4096 (3,0,0,2,1,12) R0F-M0-N14-J15
Task 3165 of 4096 (3,0,0,2,1,13) R0F-M0-N14-J15
Task 3166 of 4096 (3,0,0,2,1,14) R0F-M0-N14-J15
Task 3167 of 4096 (3,0,0,2,1,15) R0F-M0-N14-J15
Task 3168 of 4096 (3,0,0,3,0,0) R0F-M0-N14-J04
Task 3169 of 4096 (3,0,0,3,0,1) R0F-M0-N14-J04
Task 3170 of 4096 (3,0,0,3,0,2) R0F-M0-N14-J04
Task 3171 of 4096 (3,0,0,3,0,3) R0F-M0-N14-J04
Task 3172 of 4096 (3,0,0,3,0,4) R0F-M0-N14-J04
Task 3173 of 4096 (3,0,0,3,0,5) R0F-M0-N14-J04
Task 3174 of 4096 (3,0,0,3,0,6) R0F-M0-N14-J04
Task 3175 of 4096 (3,0,0,3,0,7) R0F-M0-N14-J04
Task 3176 of 4096 (3,0,0,3,0,8) R0F-M0-N14-J04
Task 3177 of 4096 (3,0,0,3,0,9) R0F-M0-N14-J04
Task 3178 of 4096 (3,0,0,3,0,10) R0F-M0-N14-J04
Task 3179 of 4096 (3,0,0,3,0,11) R0F-M0-N14-J04
Task 3180 of 4096 (3,0,0,3,0,12) R0F-M0-N14-J04
Task 3181 of 4096 (3,0,0,3,0,13) R0F-M0-N14-J04
Task 3182 of 4096 (3,0,0,3,0,14) R0F-M0-N14-J04
Task 3183 of 4096 (3,0,0,3,0,15) R0F-M0-N14-J04
Task 3184 of 4096 (3,0,0,3,1,0) R0F-M0-N14-J03
Task 3185 of 4096 (3,0,0,3,1,1) R0F-M0-N14-J03
Task 3186 of 4096 (3,0,0,3,1,2) R0F-M0-N14-J03
Task 3187 of 4096 (3,0,0,3,1,3) R0F-M0-N14-J03
Task 3188 of 4096 (3,0,0,3,1,4) R0F-M0-N14-J03
Task 3189 of 4096 (3,0,0,3,1,5) R0F-M0-N14-J03
Task 3190 of 4096 (3,0,0,3,1,6) R0F-M0-N14-J03
Task 3191 of 4096 (3,0,0,3,1,7) R0F-M0-N14-J03
Task 3192 of 4096 (3,0,0,3,1,8) R0F-M0-N14-J03
Task 3193 of 4096 (3,0,0,3,1,9) R0F-M0-N14-J03
Task 3194 of 4096 (3,0,0,3,1,10) R0F-M0-N14-J03
Task 3195 of 4096 (3,0,0,3,1,11) R0F-M0-N14-J03
Task 3196 of 4096 (3,0,0,3,1,12) R0F-M0-N14-J03
Task 3197 of 4096 (3,0,0,3,1,13) R0F-M0-N14-J03
Task 3198 of 4096 (3,0,0,3,1,14) R0F-M0-N14-J03
Task 3199 of 4096 (3,0,0,3,1,15) R0F-M0-N14-J03
Task 3200 of 4096 (3,0,1,0,0,0) R0F-M0-N12-J05
Task 3201 of 4096 (3,0,1,0,0,1) R0F-M0-N12-J05
Task 3202 of 4096 (3,0,1,0,0,2) R0F-M0-N12-J05
Task 3203 of 4096 (3,0,1,0,0,3) R0F-M0-N12-J05
Task 3204 of 4096 (3,0,1,0,0,4) R0F-M0-N12-J05
Task 3205 of 4096 (3,0,1,0,0,5) R0F-M0-N12-J05
Task 3206 of 4096 (3,0,1,0,0,6) R0F-M0-N12-J05
Task 3207 of 4096 (3,0,1,0,0,7) R0F-M0-N12-J05
Task 3208 of 4096 (3,0,1,0,0,8) R0F-M0-N12-J05
Task 3209 of 4096 (3,0,1,0,0,9) R0F-M0-N12-J05
Task 3210 of 4096 (3,0,1,0,0,10) R0F-M0-N12-J05
Task 3211 of 4096 (3,0,1,0,0,11) R0F-M0-N12-J05
Task 3212 of 4096 (3,0,1,0,0,12) R0F-M0-N12-J05
Task 3213 of 4096 (3,0,1,0,0,13) R0F-M0-N12-J05
Task 3214 of 4096 (3,0,1,0,0,14) R0F-M0-N12-J05
Task 3215 of 4096 (3,0,1,0,0,15) R0F-M0-N12-J05
Task 3216 of 4096 (3,0,1,0,1,0) R0F-M0-N12-J02
Task 3217 of 4096 (3,0,1,0,1,1) R0F-M0-N12-J02
Task 3218 of 4096 (3,0,1,0,1,2) R0F-M0-N12-J02
Task 3219 of 4096 (3,0,1,0,1,3) R0F-M0-N12-J02
Task 3220 of 4096 (3,0,1,0,1,4) R0F-M0-N12-J02
Task 3221 of 4096 (3,0,1,0,1,5) R0F-M0-N12-J02
Task 3222 of 4096 (3,0,1,0,1,6) R0F-M0-N12-J02
Task 3223 of 4096 (3,0,1,0,1,7) R0F-M0-N12-J02
Task 3224 of 4096 (3,0,1,0,1,8) R0F-M0-N12-J02
Task 3225 of 4096 (3,0,1,0,1,9) R0F-M0-N12-J02
Task 3226 of 4096 (3,0,1,0,1,10) R0F-M0-N12-J02
Task 3227 of 4096 (3,0,1,0,1,11) R0F-M0-N12-J02
Task 3228 of 4096 (3,0,1,0,1,12) R0F-M0-N12-J02
Task 3229 of 4096 (3,0,1,0,1,13) R0F-M0-N12-J02
Task 3230 of 4096 (3,0,1,0,1,14) R0F-M0-N12-J02
Task 3231 of 4096 (3,0,1,0,1,15) R0F-M0-N12-J02
Task 3232 of 4096 (3,0,1,1,0,0) R0F-M0-N12-J09
Task 3233 of 4096 (3,0,1,1,0,1) R0F-M0-N12-J09
Task 3234 of 4096 (3,0,1,1,0,2) R0F-M0-N12-J09
Task 3235 of 4096 (3,0,1,1,0,3) R0F-M0-N12-J09
Task 3236 of 4096 (3,0,1,1,0,4) R0F-M0-N12-J09
Task 3237 of 4096 (3,0,1,1,0,5) R0F-M0-N12-J09
Task 3238 of 4096 (3,0,1,1,0,6) R0F-M0-N12-J09
Task 3239 of 4096 (3,0,1,1,0,7) R0F-M0-N12-J09
Task 3240 of 4096 (3,0,1,1,0,8) R0F-M0-N12-J09
Task 3241 of 4096 (3,0,1,1,0,9) R0F-M0-N12-J09
Task 3242 of 4096 (3,0,1,1,0,10) R0F-M0-N12-J09
Task 3243 of 4096 (3,0,1,1,0,11) R0F-M0-N12-J09
Task 3244 of 4096 (3,0,1,1,0,12) R0F-M0-N12-J09
Task 3245 of 4096 (3,0,1,1,0,13) R0F-M0-N12-J09
Task 3246 of 4096 (3,0,1,1,0,14) R0F-M0-N12-J09
Task 3247 of 4096 (3,0,1,1,0,15) R0F-M0-N12-J09
Task 3248 of 4096 (3,0,1,1,1,0) R0F-M0-N12-J14
Task 3249 of 4096 (3,0,1,1,1,1) R0F-M0-N12-J14
Task 3250 of 4096 (3,0,1,1,1,2) R0F-M0-N12-J14
Task 3251 of 4096 (3,0,1,1,1,3) R0F-M0-N12-J14
Task 3252 of 4096 (3,0,1,1,1,4) R0F-M0-N12-J14
Task 3253 of 4096 (3,0,1,1,1,5) R0F-M0-N12-J14
Task 3254 of 4096 (3,0,1,1,1,6) R0F-M0-N12-J14
Task 3255 of 4096 (3,0,1,1,1,7) R0F-M0-N12-J14
Task 3256 of 4096 (3,0,1,1,1,8) R0F-M0-N12-J14
Task 3257 of 4096 (3,0,1,1,1,9) R0F-M0-N12-J14
Task 3258 of 4096 (3,0,1,1,1,10) R0F-M0-N12-J14
Task 3259 of 4096 (3,0,1,1,1,11) R0F-M0-N12-J14
Task 3260 of 4096 (3,0,1,1,1,12) R0F-M0-N12-J14
Task 3261 of 4096 (3,0,1,1,1,13) R0F-M0-N12-J14
Task 3262 of 4096 (3,0,1,1,1,14) R0F-M0-N12-J14
Task 3263 of 4096 (3,0,1,1,1,15) R0F-M0-N12-J14
Task 3264 of 4096 (3,0,1,2,0,0) R0F-M0-N14-J09
Task 3265 of 4096 (3,0,1,2,0,1) R0F-M0-N14-J09
Task 3266 of 4096 (3,0,1,2,0,2) R0F-M0-N14-J09
Task 3267 of 4096 (3,0,1,2,0,3) R0F-M0-N14-J09
Task 3268 of 4096 (3,0,1,2,0,4) R0F-M0-N14-J09
Task 3269 of 4096 (3,0,1,2,0,5) R0F-M0-N14-J09
Task 3270 of 4096 (3,0,1,2,0,6) R0F-M0-N14-J09
Task 3271 of 4096 (3,0,1,2,0,7) R0F-M0-N14-J09
Task 3272 of 4096 (3,0,1,2,0,8) R0F-M0-N14-J09
Task 3273 of 4096 (3,0,1,2,0,9) R0F-M0-N14-J09
Task 3274 of 4096 (3,0,1,2,0,10) R0F-M0-N14-J09
Task 3275 of 4096 (3,0,1,2,0,11) R0F-M0-N14-J09
Task 3276 of 4096 (3,0,1,2,0,12) R0F-M0-N14-J09
Task 3277 of 4096 (3,0,1,2,0,13) R0F-M0-N14-J09
Task 3278 of 4096 (3,0,1,2,0,14) R0F-M0-N14-J09
Task 3279 of 4096 (3,0,1,2,0,15) R0F-M0-N14-J09
Task 3280 of 4096 (3,0,1,2,1,0) R0F-M0-N14-J14
Task 3281 of 4096 (3,0,1,2,1,1) R0F-M0-N14-J14
Task 3282 of 4096 (3,0,1,2,1,2) R0F-M0-N14-J14
Task 3283 of 4096 (3,0,1,2,1,3) R0F-M0-N14-J14
Task 3284 of 4096 (3,0,1,2,1,4) R0F-M0-N14-J14
Task 3285 of 4096 (3,0,1,2,1,5) R0F-M0-N14-J14
Task 3286 of 4096 (3,0,1,2,1,6) R0F-M0-N14-J14
Task 3287 of 4096 (3,0,1,2,1,7) R0F-M0-N14-J14
Task 3288 of 4096 (3,0,1,2,1,8) R0F-M0-N14-J14
Task 3289 of 4096 (3,0,1,2,1,9) R0F-M0-N14-J14
Task 3290 of 4096 (3,0,1,2,1,10) R0F-M0-N14-J14
Task 3291 of 4096 (3,0,1,2,1,11) R0F-M0-N14-J14
Task 3292 of 4096 (3,0,1,2,1,12) R0F-M0-N14-J14
Task 3293 of 4096 (3,0,1,2,1,13) R0F-M0-N14-J14
Task 3294 of 4096 (3,0,1,2,1,14) R0F-M0-N14-J14
Task 3295 of 4096 (3,0,1,2,1,15) R0F-M0-N14-J14
Task 3296 of 4096 (3,0,1,3,0,0) R0F-M0-N14-J05
Task 3297 of 4096 (3,0,1,3,0,1) R0F-M0-N14-J05
Task 3298 of 4096 (3,0,1,3,0,2) R0F-M0-N14-J05
Task 3299 of 4096 (3,0,1,3,0,3) R0F-M0-N14-J05
Task 3300 of 4096 (3,0,1,3,0,4) R0F-M0-N14-J05
Task 3301 of 4096 (3,0,1,3,0,5) R0F-M0-N14-J05
Task 3302 of 4096 (3,0,1,3,0,6) R0F-M0-N14-J05
Task 3303 of 4096 (3,0,1,3,0,7) R0F-M0-N14-J05
Task 3304 of 4096 (3,0,1,3,0,8) R0F-M0-N14-J05
Task 3305 of 4096 (3,0,1,3,0,9) R0F-M0-N14-J05
Task 3306 of 4096 (3,0,1,3,0,10) R0F-M0-N14-J05
Task 3307 of 4096 (3,0,1,3,0,11) R0F-M0-N14-J05
Task 3308 of 4096 (3,0,1,3,0,12) R0F-M0-N14-J05
Task 3309 of 4096 (3,0,1,3,0,13) R0F-M0-N14-J05
Task 3310 of 4096 (3,0,1,3,0,14) R0F-M0-N14-J05
Task 3311 of 4096 (3,0,1,3,0,15) R0F-M0-N14-J05
Task 3312 of 4096 (3,0,1,3,1,0) R0F-M0-N14-J02
Task 3313 of 4096 (3,0,1,3,1,1) R0F-M0-N14-J02
Task 3314 of 4096 (3,0,1,3,1,2) R0F-M0-N14-J02
Task 3315 of 4096 (3,0,1,3,1,3) R0F-M0-N14-J02
Task 3316 of 4096 (3,0,1,3,1,4) R0F-M0-N14-J02
Task 3317 of 4096 (3,0,1,3,1,5) R0F-M0-N14-J02
Task 3318 of 4096 (3,0,1,3,1,6) R0F-M0-N14-J02
Task 3319 of 4096 (3,0,1,3,1,7) R0F-M0-N14-J02
Task 3320 of 4096 (3,0,1,3,1,8) R0F-M0-N14-J02
Task 3321 of 4096 (3,0,1,3,1,9) R0F-M0-N14-J02
Task 3322 of 4096 (3,0,1,3,1,10) R0F-M0-N14-J02
Task 3323 of 4096 (3,0,1,3,1,11) R0F-M0-N14-J02
Task 3324 of 4096 (3,0,1,3,1,12) R0F-M0-N14-J02
Task 3325 of 4096 (3,0,1,3,1,13) R0F-M0-N14-J02
Task 3326 of 4096 (3,0,1,3,1,14) R0F-M0-N14-J02
Task 3327 of 4096 (3,0,1,3,1,15) R0F-M0-N14-J02
Task 3328 of 4096 (3,0,2,0,0,0) R0F-M0-N13-J05
Task 3329 of 4096 (3,0,2,0,0,1) R0F-M0-N13-J05
Task 3330 of 4096 (3,0,2,0,0,2) R0F-M0-N13-J05
Task 3331 of 4096 (3,0,2,0,0,3) R0F-M0-N13-J05
Task 3332 of 4096 (3,0,2,0,0,4) R0F-M0-N13-J05
Task 3333 of 4096 (3,0,2,0,0,5) R0F-M0-N13-J05
Task 3334 of 4096 (3,0,2,0,0,6) R0F-M0-N13-J05
Task 3335 of 4096 (3,0,2,0,0,7) R0F-M0-N13-J05
Task 3336 of 4096 (3,0,2,0,0,8) R0F-M0-N13-J05
Task 3337 of 4096 (3,0,2,0,0,9) R0F-M0-N13-J05
Task 3338 of 4096 (3,0,2,0,0,10) R0F-M0-N13-J05
Task 3339 of 4096 (3,0,2,0,0,11) R0F-M0-N13-J05
Task 3340 of 4096 (3,0,2,0,0,12) R0F-M0-N13-J05
Task 3341 of 4096 (3,0,2,0,0,13) R0F-M0-N13-J05
Task 3342 of 4096 (3,0,2,0,0,14) R0F-M0-N13-J05
Task 3343 of 4096 (3,0,2,0,0,15) R0F-M0-N13-J05
Task 3344 of 4096 (3,0,2,0,1,0) R0F-M0-N13-J02
Task 3345 of 4096 (3,0,2,0,1,1) R0F-M0-N13-J02
Task 3346 of 4096 (3,0,2,0,1,2) R0F-M0-N13-J02
Task 3347 of 4096 (3,0,2,0,1,3) R0F-M0-N13-J02
Task 3348 of 4096 (3,0,2,0,1,4) R0F-M0-N13-J02
Task 3349 of 4096 (3,0,2,0,1,5) R0F-M0-N13-J02
Task 3350 of 4096 (3,0,2,0,1,6) R0F-M0-N13-J02
Task 3351 of 4096 (3,0,2,0,1,7) R0F-M0-N13-J02
Task 3352 of 4096 (3,0,2,0,1,8) R0F-M0-N13-J02
Task 3353 of 4096 (3,0,2,0,1,9) R0F-M0-N13-J02
Task 3354 of 4096 (3,0,2,0,1,10) R0F-M0-N13-J02
Task 3355 of 4096 (3,0,2,0,1,11) R0F-M0-N13-J02
Task 3356 of 4096 (3,0,2,0,1,12) R0F-M0-N13-J02
Task 3357 of 4096 (3,0,2,0,1,13) R0F-M0-N13-J02
Task 3358 of 4096 (3,0,2,0,1,14) R0F-M0-N13-J02
Task 3359 of 4096 (3,0,2,0,1,15) R0F-M0-N13-J02
Task 3360 of 4096 (3,0,2,1,0,0) R0F-M0-N13-J09
Task 3361 of 4096 (3,0,2,1,0,1) R0F-M0-N13-J09
Task 3362 of 4096 (3,0,2,1,0,2) R0F-M0-N13-J09
Task 3363 of 4096 (3,0,2,1,0,3) R0F-M0-N13-J09
Task 3364 of 4096 (3,0,2,1,0,4) R0F-M0-N13-J09
Task 3365 of 4096 (3,0,2,1,0,5) R0F-M0-N13-J09
Task 3366 of 4096 (3,0,2,1,0,6) R0F-M0-N13-J09
Task 3367 of 4096 (3,0,2,1,0,7) R0F-M0-N13-J09
Task 3368 of 4096 (3,0,2,1,0,8) R0F-M0-N13-J09
Task 3369 of 4096 (3,0,2,1,0,9) R0F-M0-N13-J09
Task 3370 of 4096 (3,0,2,1,0,10) R0F-M0-N13-J09
Task 3371 of 4096 (3,0,2,1,0,11) R0F-M0-N13-J09
Task 3372 of 4096 (3,0,2,1,0,12) R0F-M0-N13-J09
Task 3373 of 4096 (3,0,2,1,0,13) R0F-M0-N13-J09
Task 3374 of 4096 (3,0,2,1,0,14) R0F-M0-N13-J09
Task 3375 of 4096 (3,0,2,1,0,15) R0F-M0-N13-J09
Task 3376 of 4096 (3,0,2,1,1,0) R0F-M0-N13-J14
Task 3377 of 4096 (3,0,2,1,1,1) R0F-M0-N13-J14
Task 3378 of 4096 (3,0,2,1,1,2) R0F-M0-N13-J14
Task 3379 of 4096 (3,0,2,1,1,3) R0F-M0-N13-J14
Task 3380 of 4096 (3,0,2,1,1,4) R0F-M0-N13-J14
Task 3381 of 4096 (3,0,2,1,1,5) R0F-M0-N13-J14
Task 3382 of 4096 (3,0,2,1,1,6) R0F-M0-N13-J14
Task 3383 of 4096 (3,0,2,1,1,7) R0F-M0-N13-J14
Task 3384 of 4096 (3,0,2,1,1,8) R0F-M0-N13-J14
Task 3385 of 4096 (3,0,2,1,1,9) R0F-M0-N13-J14
Task 3386 of 4096 (3,0,2,1,1,10) R0F-M0-N13-J14
Task 3387 of 4096 (3,0,2,1,1,11) R0F-M0-N13-J14
Task 3388 of 4096 (3,0,2,1,1,12) R0F-M0-N13-J14
Task 3389 of 4096 (3,0,2,1,1,13) R0F-M0-N13-J14
Task 3390 of 4096 (3,0,2,1,1,14) R0F-M0-N13-J14
Task 3391 of 4096 (3,0,2,1,1,15) R0F-M0-N13-J14
Task 3392 of 4096 (3,0,2,2,0,0) R0F-M0-N15-J09
Task 3393 of 4096 (3,0,2,2,0,1) R0F-M0-N15-J09
Task 3394 of 4096 (3,0,2,2,0,2) R0F-M0-N15-J09
Task 3395 of 4096 (3,0,2,2,0,3) R0F-M0-N15-J09
Task 3396 of 4096 (3,0,2,2,0,4) R0F-M0-N15-J09
Task 3397 of 4096 (3,0,2,2,0,5) R0F-M0-N15-J09
Task 3398 of 4096 (3,0,2,2,0,6) R0F-M0-N15-J09
Task 3399 of 4096 (3,0,2,2,0,7) R0F-M0-N15-J09
Task 3400 of 4096 (3,0,2,2,0,8) R0F-M0-N15-J09
Task 3401 of 4096 (3,0,2,2,0,9) R0F-M0-N15-J09
Task 3402 of 4096 (3,0,2,2,0,10) R0F-M0-N15-J09
Task 3403 of 4096 (3,0,2,2,0,11) R0F-M0-N15-J09
Task 3404 of 4096 (3,0,2,2,0,12) R0F-M0-N15-J09
Task 3405 of 4096 (3,0,2,2,0,13) R0F-M0-N15-J09
Task 3406 of 4096 (3,0,2,2,0,14) R0F-M0-N15-J09
Task 3407 of 4096 (3,0,2,2,0,15) R0F-M0-N15-J09
Task 3408 of 4096 (3,0,2,2,1,0) R0F-M0-N15-J14
Task 3409 of 4096 (3,0,2,2,1,1) R0F-M0-N15-J14
Task 3410 of 4096 (3,0,2,2,1,2) R0F-M0-N15-J14
Task 3411 of 4096 (3,0,2,2,1,3) R0F-M0-N15-J14
Task 3412 of 4096 (3,0,2,2,1,4) R0F-M0-N15-J14
Task 3413 of 4096 (3,0,2,2,1,5) R0F-M0-N15-J14
Task 3414 of 4096 (3,0,2,2,1,6) R0F-M0-N15-J14
Task 3415 of 4096 (3,0,2,2,1,7) R0F-M0-N15-J14
Task 3416 of 4096 (3,0,2,2,1,8) R0F-M0-N15-J14
Task 3417 of 4096 (3,0,2,2,1,9) R0F-M0-N15-J14
Task 3418 of 4096 (3,0,2,2,1,10) R0F-M0-N15-J14
Task 3419 of 4096 (3,0,2,2,1,11) R0F-M0-N15-J14
Task 3420 of 4096 (3,0,2,2,1,12) R0F-M0-N15-J14
Task 3421 of 4096 (3,0,2,2,1,13) R0F-M0-N15-J14
Task 3422 of 4096 (3,0,2,2,1,14) R0F-M0-N15-J14
Task 3423 of 4096 (3,0,2,2,1,15) R0F-M0-N15-J14
Task 3424 of 4096 (3,0,2,3,0,0) R0F-M0-N15-J05
Task 3425 of 4096 (3,0,2,3,0,1) R0F-M0-N15-J05
Task 3426 of 4096 (3,0,2,3,0,2) R0F-M0-N15-J05
Task 3427 of 4096 (3,0,2,3,0,3) R0F-M0-N15-J05
Task 3428 of 4096 (3,0,2,3,0,4) R0F-M0-N15-J05
Task 3429 of 4096 (3,0,2,3,0,5) R0F-M0-N15-J05
Task 3430 of 4096 (3,0,2,3,0,6) R0F-M0-N15-J05
Task 3431 of 4096 (3,0,2,3,0,7) R0F-M0-N15-J05
Task 3432 of 4096 (3,0,2,3,0,8) R0F-M0-N15-J05
Task 3433 of 4096 (3,0,2,3,0,9) R0F-M0-N15-J05
Task 3434 of 4096 (3,0,2,3,0,10) R0F-M0-N15-J05
Task 3435 of 4096 (3,0,2,3,0,11) R0F-M0-N15-J05
Task 3436 of 4096 (3,0,2,3,0,12) R0F-M0-N15-J05
Task 3437 of 4096 (3,0,2,3,0,13) R0F-M0-N15-J05
Task 3438 of 4096 (3,0,2,3,0,14) R0F-M0-N15-J05
Task 3439 of 4096 (3,0,2,3,0,15) R0F-M0-N15-J05
Task 3440 of 4096 (3,0,2,3,1,0) R0F-M0-N15-J02
Task 3441 of 4096 (3,0,2,3,1,1) R0F-M0-N15-J02
Task 3442 of 4096 (3,0,2,3,1,2) R0F-M0-N15-J02
Task 3443 of 4096 (3,0,2,3,1,3) R0F-M0-N15-J02
Task 3444 of 4096 (3,0,2,3,1,4) R0F-M0-N15-J02
Task 3445 of 4096 (3,0,2,3,1,5) R0F-M0-N15-J02
Task 3446 of 4096 (3,0,2,3,1,6) R0F-M0-N15-J02
Task 3447 of 4096 (3,0,2,3,1,7) R0F-M0-N15-J02
Task 3448 of 4096 (3,0,2,3,1,8) R0F-M0-N15-J02
Task 3449 of 4096 (3,0,2,3,1,9) R0F-M0-N15-J02
Task 3450 of 4096 (3,0,2,3,1,10) R0F-M0-N15-J02
Task 3451 of 4096 (3,0,2,3,1,11) R0F-M0-N15-J02
Task 3452 of 4096 (3,0,2,3,1,12) R0F-M0-N15-J02
Task 3453 of 4096 (3,0,2,3,1,13) R0F-M0-N15-J02
Task 3454 of 4096 (3,0,2,3,1,14) R0F-M0-N15-J02
Task 3455 of 4096 (3,0,2,3,1,15) R0F-M0-N15-J02
Task 3456 of 4096 (3,0,3,0,0,0) R0F-M0-N13-J04
Task 3457 of 4096 (3,0,3,0,0,1) R0F-M0-N13-J04
Task 3458 of 4096 (3,0,3,0,0,2) R0F-M0-N13-J04
Task 3459 of 4096 (3,0,3,0,0,3) R0F-M0-N13-J04
Task 3460 of 4096 (3,0,3,0,0,4) R0F-M0-N13-J04
Task 3461 of 4096 (3,0,3,0,0,5) R0F-M0-N13-J04
Task 3462 of 4096 (3,0,3,0,0,6) R0F-M0-N13-J04
Task 3463 of 4096 (3,0,3,0,0,7) R0F-M0-N13-J04
Task 3464 of 4096 (3,0,3,0,0,8) R0F-M0-N13-J04
Task 3465 of 4096 (3,0,3,0,0,9) R0F-M0-N13-J04
Task 3466 of 4096 (3,0,3,0,0,10) R0F-M0-N13-J04
Task 3467 of 4096 (3,0,3,0,0,11) R0F-M0-N13-J04
Task 3468 of 4096 (3,0,3,0,0,12) R0F-M0-N13-J04
Task 3469 of 4096 (3,0,3,0,0,13) R0F-M0-N13-J04
Task 3470 of 4096 (3,0,3,0,0,14) R0F-M0-N13-J04
Task 3471 of 4096 (3,0,3,0,0,15) R0F-M0-N13-J04
Task 3472 of 4096 (3,0,3,0,1,0) R0F-M0-N13-J03
Task 3473 of 4096 (3,0,3,0,1,1) R0F-M0-N13-J03
Task 3474 of 4096 (3,0,3,0,1,2) R0F-M0-N13-J03
Task 3475 of 4096 (3,0,3,0,1,3) R0F-M0-N13-J03
Task 3476 of 4096 (3,0,3,0,1,4) R0F-M0-N13-J03
Task 3477 of 4096 (3,0,3,0,1,5) R0F-M0-N13-J03
Task 3478 of 4096 (3,0,3,0,1,6) R0F-M0-N13-J03
Task 3479 of 4096 (3,0,3,0,1,7) R0F-M0-N13-J03
Task 3480 of 4096 (3,0,3,0,1,8) R0F-M0-N13-J03
Task 3481 of 4096 (3,0,3,0,1,9) R0F-M0-N13-J03
Task 3482 of 4096 (3,0,3,0,1,10) R0F-M0-N13-J03
Task 3483 of 4096 (3,0,3,0,1,11) R0F-M0-N13-J03
Task 3484 of 4096 (3,0,3,0,1,12) R0F-M0-N13-J03
Task 3485 of 4096 (3,0,3,0,1,13) R0F-M0-N13-J03
Task 3486 of 4096 (3,0,3,0,1,14) R0F-M0-N13-J03
Task 3487 of 4096 (3,0,3,0,1,15) R0F-M0-N13-J03
Task 3488 of 4096 (3,0,3,1,0,0) R0F-M0-N13-J08
Task 3489 of 4096 (3,0,3,1,0,1) R0F-M0-N13-J08
Task 3490 of 4096 (3,0,3,1,0,2) R0F-M0-N13-J08
Task 3491 of 4096 (3,0,3,1,0,3) R0F-M0-N13-J08
Task 3492 of 4096 (3,0,3,1,0,4) R0F-M0-N13-J08
Task 3493 of 4096 (3,0,3,1,0,5) R0F-M0-N13-J08
Task 3494 of 4096 (3,0,3,1,0,6) R0F-M0-N13-J08
Task 3495 of 4096 (3,0,3,1,0,7) R0F-M0-N13-J08
Task 3496 of 4096 (3,0,3,1,0,8) R0F-M0-N13-J08
Task 3497 of 4096 (3,0,3,1,0,9) R0F-M0-N13-J08
Task 3498 of 4096 (3,0,3,1,0,10) R0F-M0-N13-J08
Task 3499 of 4096 (3,0,3,1,0,11) R0F-M0-N13-J08
Task 3500 of 4096 (3,0,3,1,0,12) R0F-M0-N13-J08
Task 3501 of 4096 (3,0,3,1,0,13) R0F-M0-N13-J08
Task 3502 of 4096 (3,0,3,1,0,14) R0F-M0-N13-J08
Task 3503 of 4096 (3,0,3,1,0,15) R0F-M0-N13-J08
Task 3504 of 4096 (3,0,3,1,1,0) R0F-M0-N13-J15
Task 3505 of 4096 (3,0,3,1,1,1) R0F-M0-N13-J15
Task 3506 of 4096 (3,0,3,1,1,2) R0F-M0-N13-J15
Task 3507 of 4096 (3,0,3,1,1,3) R0F-M0-N13-J15
Task 3508 of 4096 (3,0,3,1,1,4) R0F-M0-N13-J15
Task 3509 of 4096 (3,0,3,1,1,5) R0F-M0-N13-J15
Task 3510 of 4096 (3,0,3,1,1,6) R0F-M0-N13-J15
Task 3511 of 4096 (3,0,3,1,1,7) R0F-M0-N13-J15
Task 3512 of 4096 (3,0,3,1,1,8) R0F-M0-N13-J15
Task 3513 of 4096 (3,0,3,1,1,9) R0F-M0-N13-J15
Task 3514 of 4096 (3,0,3,1,1,10) R0F-M0-N13-J15
Task 3515 of 4096 (3,0,3,1,1,11) R0F-M0-N13-J15
Task 3516 of 4096 (3,0,3,1,1,12) R0F-M0-N13-J15
Task 3517 of 4096 (3,0,3,1,1,13) R0F-M0-N13-J15
Task 3518 of 4096 (3,0,3,1,1,14) R0F-M0-N13-J15
Task 3519 of 4096 (3,0,3,1,1,15) R0F-M0-N13-J15
Task 3520 of 4096 (3,0,3,2,0,0) R0F-M0-N15-J08
Task 3521 of 4096 (3,0,3,2,0,1) R0F-M0-N15-J08
Task 3522 of 4096 (3,0,3,2,0,2) R0F-M0-N15-J08
Task 3523 of 4096 (3,0,3,2,0,3) R0F-M0-N15-J08
Task 3524 of 4096 (3,0,3,2,0,4) R0F-M0-N15-J08
Task 3525 of 4096 (3,0,3,2,0,5) R0F-M0-N15-J08
Task 3526 of 4096 (3,0,3,2,0,6) R0F-M0-N15-J08
Task 3527 of 4096 (3,0,3,2,0,7) R0F-M0-N15-J08
Task 3528 of 4096 (3,0,3,2,0,8) R0F-M0-N15-J08
Task 3529 of 4096 (3,0,3,2,0,9) R0F-M0-N15-J08
Task 3530 of 4096 (3,0,3,2,0,10) R0F-M0-N15-J08
Task 3531 of 4096 (3,0,3,2,0,11) R0F-M0-N15-J08
Task 3532 of 4096 (3,0,3,2,0,12) R0F-M0-N15-J08
Task 3533 of 4096 (3,0,3,2,0,13) R0F-M0-N15-J08
Task 3534 of 4096 (3,0,3,2,0,14) R0F-M0-N15-J08
Task 3535 of 4096 (3,0,3,2,0,15) R0F-M0-N15-J08
Task 3536 of 4096 (3,0,3,2,1,0) R0F-M0-N15-J15
Task 3537 of 4096 (3,0,3,2,1,1) R0F-M0-N15-J15
Task 3538 of 4096 (3,0,3,2,1,2) R0F-M0-N15-J15
Task 3539 of 4096 (3,0,3,2,1,3) R0F-M0-N15-J15
Task 3540 of 4096 (3,0,3,2,1,4) R0F-M0-N15-J15
Task 3541 of 4096 (3,0,3,2,1,5) R0F-M0-N15-J15
Task 3542 of 4096 (3,0,3,2,1,6) R0F-M0-N15-J15
Task 3543 of 4096 (3,0,3,2,1,7) R0F-M0-N15-J15
Task 3544 of 4096 (3,0,3,2,1,8) R0F-M0-N15-J15
Task 3545 of 4096 (3,0,3,2,1,9) R0F-M0-N15-J15
Task 3546 of 4096 (3,0,3,2,1,10) R0F-M0-N15-J15
Task 3547 of 4096 (3,0,3,2,1,11) R0F-M0-N15-J15
Task 3548 of 4096 (3,0,3,2,1,12) R0F-M0-N15-J15
Task 3549 of 4096 (3,0,3,2,1,13) R0F-M0-N15-J15
Task 3550 of 4096 (3,0,3,2,1,14) R0F-M0-N15-J15
Task 3551 of 4096 (3,0,3,2,1,15) R0F-M0-N15-J15
Task 3552 of 4096 (3,0,3,3,0,0) R0F-M0-N15-J04
Task 3553 of 4096 (3,0,3,3,0,1) R0F-M0-N15-J04
Task 3554 of 4096 (3,0,3,3,0,2) R0F-M0-N15-J04
Task 3555 of 4096 (3,0,3,3,0,3) R0F-M0-N15-J04
Task 3556 of 4096 (3,0,3,3,0,4) R0F-M0-N15-J04
Task 3557 of 4096 (3,0,3,3,0,5) R0F-M0-N15-J04
Task 3558 of 4096 (3,0,3,3,0,6) R0F-M0-N15-J04
Task 3559 of 4096 (3,0,3,3,0,7) R0F-M0-N15-J04
Task 3560 of 4096 (3,0,3,3,0,8) R0F-M0-N15-J04
Task 3561 of 4096 (3,0,3,3,0,9) R0F-M0-N15-J04
Task 3562 of 4096 (3,0,3,3,0,10) R0F-M0-N15-J04
Task 3563 of 4096 (3,0,3,3,0,11) R0F-M0-N15-J04
Task 3564 of 4096 (3,0,3,3,0,12) R0F-M0-N15-J04
Task 3565 of 4096 (3,0,3,3,0,13) R0F-M0-N15-J04
Task 3566 of 4096 (3,0,3,3,0,14) R0F-M0-N15-J04
Task 3567 of 4096 (3,0,3,3,0,15) R0F-M0-N15-J04
Task 3568 of 4096 (3,0,3,3,1,0) R0F-M0-N15-J03
Task 3569 of 4096 (3,0,3,3,1,1) R0F-M0-N15-J03
Task 3570 of 4096 (3,0,3,3,1,2) R0F-M0-N15-J03
Task 3571 of 4096 (3,0,3,3,1,3) R0F-M0-N15-J03
Task 3572 of 4096 (3,0,3,3,1,4) R0F-M0-N15-J03
Task 3573 of 4096 (3,0,3,3,1,5) R0F-M0-N15-J03
Task 3574 of 4096 (3,0,3,3,1,6) R0F-M0-N15-J03
Task 3575 of 4096 (3,0,3,3,1,7) R0F-M0-N15-J03
Task 3576 of 4096 (3,0,3,3,1,8) R0F-M0-N15-J03
Task 3577 of 4096 (3,0,3,3,1,9) R0F-M0-N15-J03
Task 3578 of 4096 (3,0,3,3,1,10) R0F-M0-N15-J03
Task 3579 of 4096 (3,0,3,3,1,11) R0F-M0-N15-J03
Task 3580 of 4096 (3,0,3,3,1,12) R0F-M0-N15-J03
Task 3581 of 4096 (3,0,3,3,1,13) R0F-M0-N15-J03
Task 3582 of 4096 (3,0,3,3,1,14) R0F-M0-N15-J03
Task 3583 of 4096 (3,0,3,3,1,15) R0F-M0-N15-J03
Task 3584 of 4096 (3,1,0,0,0,0) R0F-M0-N12-J07
Task 3585 of 4096 (3,1,0,0,0,1) R0F-M0-N12-J07
Task 3586 of 4096 (3,1,0,0,0,2) R0F-M0-N12-J07
Task 3587 of 4096 (3,1,0,0,0,3) R0F-M0-N12-J07
Task 3588 of 4096 (3,1,0,0,0,4) R0F-M0-N12-J07
Task 3589 of 4096 (3,1,0,0,0,5) R0F-M0-N12-J07
Task 3590 of 4096 (3,1,0,0,0,6) R0F-M0-N12-J07
Task 3591 of 4096 (3,1,0,0,0,7) R0F-M0-N12-J07
Task 3592 of 4096 (3,1,0,0,0,8) R0F-M0-N12-J07
Task 3593 of 4096 (3,1,0,0,0,9) R0F-M0-N12-J07
Task 3594 of 4096 (3,1,0,0,0,10) R0F-M0-N12-J07
Task 3595 of 4096 (3,1,0,0,0,11) R0F-M0-N12-J07
Task 3596 of 4096 (3,1,0,0,0,12) R0F-M0-N12-J07
Task 3597 of 4096 (3,1,0,0,0,13) R0F-M0-N12-J07
Task 3598 of 4096 (3,1,0,0,0,14) R0F-M0-N12-J07
Task 3599 of 4096 (3,1,0,0,0,15) R0F-M0-N12-J07
Task 3600 of 4096 (3,1,0,0,1,0) R0F-M0-N12-J00
Task 3601 of 4096 (3,1,0,0,1,1) R0F-M0-N12-J00
Task 3602 of 4096 (3,1,0,0,1,2) R0F-M0-N12-J00
Task 3603 of 4096 (3,1,0,0,1,3) R0F-M0-N12-J00
Task 3604 of 4096 (3,1,0,0,1,4) R0F-M0-N12-J00
Task 3605 of 4096 (3,1,0,0,1,5) R0F-M0-N12-J00
Task 3606 of 4096 (3,1,0,0,1,6) R0F-M0-N12-J00
Task 3607 of 4096 (3,1,0,0,1,7) R0F-M0-N12-J00
Task 3608 of 4096 (3,1,0,0,1,8) R0F-M0-N12-J00
Task 3609 of 4096 (3,1,0,0,1,9) R0F-M0-N12-J00
Task 3610 of 4096 (3,1,0,0,1,10) R0F-M0-N12-J00
Task 3611 of 4096 (3,1,0,0,1,11) R0F-M0-N12-J00
Task 3612 of 4096 (3,1,0,0,1,12) R0F-M0-N12-J00
Task 3613 of 4096 (3,1,0,0,1,13) R0F-M0-N12-J00
Task 3614 of 4096 (3,1,0,0,1,14) R0F-M0-N12-J00
Task 3615 of 4096 (3,1,0,0,1,15) R0F-M0-N12-J00
Task 3616 of 4096 (3,1,0,1,0,0) R0F-M0-N12-J11
Task 3617 of 4096 (3,1,0,1,0,1) R0F-M0-N12-J11
Task 3618 of 4096 (3,1,0,1,0,2) R0F-M0-N12-J11
Task 3619 of 4096 (3,1,0,1,0,3) R0F-M0-N12-J11
Task 3620 of 4096 (3,1,0,1,0,4) R0F-M0-N12-J11
Task 3621 of 4096 (3,1,0,1,0,5) R0F-M0-N12-J11
Task 3622 of 4096 (3,1,0,1,0,6) R0F-M0-N12-J11
Task 3623 of 4096 (3,1,0,1,0,7) R0F-M0-N12-J11
Task 3624 of 4096 (3,1,0,1,0,8) R0F-M0-N12-J11
Task 3625 of 4096 (3,1,0,1,0,9) R0F-M0-N12-J11
Task 3626 of 4096 (3,1,0,1,0,10) R0F-M0-N12-J11
Task 3627 of 4096 (3,1,0,1,0,11) R0F-M0-N12-J11
Task 3628 of 4096 (3,1,0,1,0,12) R0F-M0-N12-J11
Task 3629 of 4096 (3,1,0,1,0,13) R0F-M0-N12-J11
Task 3630 of 4096 (3,1,0,1,0,14) R0F-M0-N12-J11
Task 3631 of 4096 (3,1,0,1,0,15) R0F-M0-N12-J11
Task 3632 of 4096 (3,1,0,1,1,0) R0F-M0-N12-J12
Task 3633 of 4096 (3,1,0,1,1,1) R0F-M0-N12-J12
Task 3634 of 4096 (3,1,0,1,1,2) R0F-M0-N12-J12
Task 3635 of 4096 (3,1,0,1,1,3) R0F-M0-N12-J12
Task 3636 of 4096 (3,1,0,1,1,4) R0F-M0-N12-J12
Task 3637 of 4096 (3,1,0,1,1,5) R0F-M0-N12-J12
Task 3638 of 4096 (3,1,0,1,1,6) R0F-M0-N12-J12
Task 3639 of 4096 (3,1,0,1,1,7) R0F-M0-N12-J12
Task 3640 of 4096 (3,1,0,1,1,8) R0F-M0-N12-J12
Task 3641 of 4096 (3,1,0,1,1,9) R0F-M0-N12-J12
Task 3642 of 4096 (3,1,0,1,1,10) R0F-M0-N12-J12
Task 3643 of 4096 (3,1,0,1,1,11) R0F-M0-N12-J12
Task 3644 of 4096 (3,1,0,1,1,12) R0F-M0-N12-J12
Task 3645 of 4096 (3,1,0,1,1,13) R0F-M0-N12-J12
Task 3646 of 4096 (3,1,0,1,1,14) R0F-M0-N12-J12
Task 3647 of 4096 (3,1,0,1,1,15) R0F-M0-N12-J12
Task 3648 of 4096 (3,1,0,2,0,0) R0F-M0-N14-J11
Task 3649 of 4096 (3,1,0,2,0,1) R0F-M0-N14-J11
Task 3650 of 4096 (3,1,0,2,0,2) R0F-M0-N14-J11
Task 3651 of 4096 (3,1,0,2,0,3) R0F-M0-N14-J11
Task 3652 of 4096 (3,1,0,2,0,4) R0F-M0-N14-J11
Task 3653 of 4096 (3,1,0,2,0,5) R0F-M0-N14-J11
Task 3654 of 4096 (3,1,0,2,0,6) R0F-M0-N14-J11
Task 3655 of 4096 (3,1,0,2,0,7) R0F-M0-N14-J11
Task 3656 of 4096 (3,1,0,2,0,8) R0F-M0-N14-J11
Task 3657 of 4096 (3,1,0,2,0,9) R0F-M0-N14-J11
Task 3658 of 4096 (3,1,0,2,0,10) R0F-M0-N14-J11
Task 3659 of 4096 (3,1,0,2,0,11) R0F-M0-N14-J11
Task 3660 of 4096 (3,1,0,2,0,12) R0F-M0-N14-J11
Task 3661 of 4096 (3,1,0,2,0,13) R0F-M0-N14-J11
Task 3662 of 4096 (3,1,0,2,0,14) R0F-M0-N14-J11
Task 3663 of 4096 (3,1,0,2,0,15) R0F-M0-N14-J11
Task 3664 of 4096 (3,1,0,2,1,0) R0F-M0-N14-J12
Task 3665 of 4096 (3,1,0,2,1,1) R0F-M0-N14-J12
Task 3666 of 4096 (3,1,0,2,1,2) R0F-M0-N14-J12
Task 3667 of 4096 (3,1,0,2,1,3) R0F-M0-N14-J12
Task 3668 of 4096 (3,1,0,2,1,4) R0F-M0-N14-J12
Task 3669 of 4096 (3,1,0,2,1,5) R0F-M0-N14-J12
Task 3670 of 4096 (3,1,0,2,1,6) R0F-M0-N14-J12
Task 3671 of 4096 (3,1,0,2,1,7) R0F-M0-N14-J12
Task 3672 of 4096 (3,1,0,2,1,8) R0F-M0-N14-J12
Task 3673 of 4096 (3,1,0,2,1,9) R0F-M0-N14-J12
Task 3674 of 4096 (3,1,0,2,1,10) R0F-M0-N14-J12
Task 3675 of 4096 (3,1,0,2,1,11) R0F-M0-N14-J12
Task 3676 of 4096 (3,1,0,2,1,12) R0F-M0-N14-J12
Task 3677 of 4096 (3,1,0,2,1,13) R0F-M0-N14-J12
Task 3678 of 4096 (3,1,0,2,1,14) R0F-M0-N14-J12
Task 3679 of 4096 (3,1,0,2,1,15) R0F-M0-N14-J12
Task 3680 of 4096 (3,1,0,3,0,0) R0F-M0-N14-J07
Task 3681 of 4096 (3,1,0,3,0,1) R0F-M0-N14-J07
Task 3682 of 4096 (3,1,0,3,0,2) R0F-M0-N14-J07
Task 3683 of 4096 (3,1,0,3,0,3) R0F-M0-N14-J07
Task 3684 of 4096 (3,1,0,3,0,4) R0F-M0-N14-J07
Task 3685 of 4096 (3,1,0,3,0,5) R0F-M0-N14-J07
Task 3686 of 4096 (3,1,0,3,0,6) R0F-M0-N14-J07
Task 3687 of 4096 (3,1,0,3,0,7) R0F-M0-N14-J07
Task 3688 of 4096 (3,1,0,3,0,8) R0F-M0-N14-J07
Task 3689 of 4096 (3,1,0,3,0,9) R0F-M0-N14-J07
Task 3690 of 4096 (3,1,0,3,0,10) R0F-M0-N14-J07
Task 3691 of 4096 (3,1,0,3,0,11) R0F-M0-N14-J07
Task 3692 of 4096 (3,1,0,3,0,12) R0F-M0-N14-J07
Task 3693 of 4096 (3,1,0,3,0,13) R0F-M0-N14-J07
Task 3694 of 4096 (3,1,0,3,0,14) R0F-M0-N14-J07
Task 3695 of 4096 (3,1,0,3,0,15) R0F-M0-N14-J07
Task 3696 of 4096 (3,1,0,3,1,0) R0F-M0-N14-J00
Task 3697 of 4096 (3,1,0,3,1,1) R0F-M0-N14-J00
Task 3698 of 4096 (3,1,0,3,1,2) R0F-M0-N14-J00
Task 3699 of 4096 (3,1,0,3,1,3) R0F-M0-N14-J00
Task 3700 of 4096 (3,1,0,3,1,4) R0F-M0-N14-J00
Task 3701 of 4096 (3,1,0,3,1,5) R0F-M0-N14-J00
Task 3702 of 4096 (3,1,0,3,1,6) R0F-M0-N14-J00
Task 3703 of 4096 (3,1,0,3,1,7) R0F-M0-N14-J00
Task 3704 of 4096 (3,1,0,3,1,8) R0F-M0-N14-J00
Task 3705 of 4096 (3,1,0,3,1,9) R0F-M0-N14-J00
Task 3706 of 4096 (3,1,0,3,1,10) R0F-M0-N14-J00
Task 3707 of 4096 (3,1,0,3,1,11) R0F-M0-N14-J00
Task 3708 of 4096 (3,1,0,3,1,12) R0F-M0-N14-J00
Task 3709 of 4096 (3,1,0,3,1,13) R0F-M0-N14-J00
Task 3710 of 4096 (3,1,0,3,1,14) R0F-M0-N14-J00
Task 3711 of 4096 (3,1,0,3,1,15) R0F-M0-N14-J00
Task 3712 of 4096 (3,1,1,0,0,0) R0F-M0-N12-J06
Task 3713 of 4096 (3,1,1,0,0,1) R0F-M0-N12-J06
Task 3714 of 4096 (3,1,1,0,0,2) R0F-M0-N12-J06
Task 3715 of 4096 (3,1,1,0,0,3) R0F-M0-N12-J06
Task 3716 of 4096 (3,1,1,0,0,4) R0F-M0-N12-J06
Task 3717 of 4096 (3,1,1,0,0,5) R0F-M0-N12-J06
Task 3718 of 4096 (3,1,1,0,0,6) R0F-M0-N12-J06
Task 3719 of 4096 (3,1,1,0,0,7) R0F-M0-N12-J06
Task 3720 of 4096 (3,1,1,0,0,8) R0F-M0-N12-J06
Task 3721 of 4096 (3,1,1,0,0,9) R0F-M0-N12-J06
Task 3722 of 4096 (3,1,1,0,0,10) R0F-M0-N12-J06
Task 3723 of 4096 (3,1,1,0,0,11) R0F-M0-N12-J06
Task 3724 of 4096 (3,1,1,0,0,12) R0F-M0-N12-J06
Task 3725 of 4096 (3,1,1,0,0,13) R0F-M0-N12-J06
Task 3726 of 4096 (3,1,1,0,0,14) R0F-M0-N12-J06
Task 3727 of 4096 (3,1,1,0,0,15) R0F-M0-N12-J06
Task 3728 of 4096 (3,1,1,0,1,0) R0F-M0-N12-J01
Task 3729 of 4096 (3,1,1,0,1,1) R0F-M0-N12-J01
Task 3730 of 4096 (3,1,1,0,1,2) R0F-M0-N12-J01
Task 3731 of 4096 (3,1,1,0,1,3) R0F-M0-N12-J01
Task 3732 of 4096 (3,1,1,0,1,4) R0F-M0-N12-J01
Task 3733 of 4096 (3,1,1,0,1,5) R0F-M0-N12-J01
Task 3734 of 4096 (3,1,1,0,1,6) R0F-M0-N12-J01
Task 3735 of 4096 (3,1,1,0,1,7) R0F-M0-N12-J01
Task 3736 of 4096 (3,1,1,0,1,8) R0F-M0-N12-J01
Task 3737 of 4096 (3,1,1,0,1,9) R0F-M0-N12-J01
Task 3738 of 4096 (3,1,1,0,1,10) R0F-M0-N12-J01
Task 3739 of 4096 (3,1,1,0,1,11) R0F-M0-N12-J01
Task 3740 of 4096 (3,1,1,0,1,12) R0F-M0-N12-J01
Task 3741 of 4096 (3,1,1,0,1,13) R0F-M0-N12-J01
Task 3742 of 4096 (3,1,1,0,1,14) R0F-M0-N12-J01
Task 3743 of 4096 (3,1,1,0,1,15) R0F-M0-N12-J01
Task 3744 of 4096 (3,1,1,1,0,0) R0F-M0-N12-J10
Task 3745 of 4096 (3,1,1,1,0,1) R0F-M0-N12-J10
Task 3746 of 4096 (3,1,1,1,0,2) R0F-M0-N12-J10
Task 3747 of 4096 (3,1,1,1,0,3) R0F-M0-N12-J10
Task 3748 of 4096 (3,1,1,1,0,4) R0F-M0-N12-J10
Task 3749 of 4096 (3,1,1,1,0,5) R0F-M0-N12-J10
Task 3750 of 4096 (3,1,1,1,0,6) R0F-M0-N12-J10
Task 3751 of 4096 (3,1,1,1,0,7) R0F-M0-N12-J10
Task 3752 of 4096 (3,1,1,1,0,8) R0F-M0-N12-J10
Task 3753 of 4096 (3,1,1,1,0,9) R0F-M0-N12-J10
Task 3754 of 4096 (3,1,1,1,0,10) R0F-M0-N12-J10
Task 3755 of 4096 (3,1,1,1,0,11) R0F-M0-N12-J10
Task 3756 of 4096 (3,1,1,1,0,12) R0F-M0-N12-J10
Task 3757 of 4096 (3,1,1,1,0,13) R0F-M0-N12-J10
Task 3758 of 4096 (3,1,1,1,0,14) R0F-M0-N12-J10
Task 3759 of 4096 (3,1,1,1,0,15) R0F-M0-N12-J10
Task 3760 of 4096 (3,1,1,1,1,0) R0F-M0-N12-J13
Task 3761 of 4096 (3,1,1,1,1,1) R0F-M0-N12-J13
Task 3762 of 4096 (3,1,1,1,1,2) R0F-M0-N12-J13
Task 3763 of 4096 (3,1,1,1,1,3) R0F-M0-N12-J13
Task 3764 of 4096 (3,1,1,1,1,4) R0F-M0-N12-J13
Task 3765 of 4096 (3,1,1,1,1,5) R0F-M0-N12-J13
Task 3766 of 4096 (3,1,1,1,1,6) R0F-M0-N12-J13
Task 3767 of 4096 (3,1,1,1,1,7) R0F-M0-N12-J13
Task 3768 of 4096 (3,1,1,1,1,8) R0F-M0-N12-J13
Task 3769 of 4096 (3,1,1,1,1,9) R0F-M0-N12-J13
Task 3770 of 4096 (3,1,1,1,1,10) R0F-M0-N12-J13
Task 3771 of 4096 (3,1,1,1,1,11) R0F-M0-N12-J13
Task 3772 of 4096 (3,1,1,1,1,12) R0F-M0-N12-J13
Task 3773 of 4096 (3,1,1,1,1,13) R0F-M0-N12-J13
Task 3774 of 4096 (3,1,1,1,1,14) R0F-M0-N12-J13
Task 3775 of 4096 (3,1,1,1,1,15) R0F-M0-N12-J13
Task 3776 of 4096 (3,1,1,2,0,0) R0F-M0-N14-J10
Task 3777 of 4096 (3,1,1,2,0,1) R0F-M0-N14-J10
Task 3778 of 4096 (3,1,1,2,0,2) R0F-M0-N14-J10
Task 3779 of 4096 (3,1,1,2,0,3) R0F-M0-N14-J10
Task 3780 of 4096 (3,1,1,2,0,4) R0F-M0-N14-J10
Task 3781 of 4096 (3,1,1,2,0,5) R0F-M0-N14-J10
Task 3782 of 4096 (3,1,1,2,0,6) R0F-M0-N14-J10
Task 3783 of 4096 (3,1,1,2,0,7) R0F-M0-N14-J10
Task 3784 of 4096 (3,1,1,2,0,8) R0F-M0-N14-J10
Task 3785 of 4096 (3,1,1,2,0,9) R0F-M0-N14-J10
Task 3786 of 4096 (3,1,1,2,0,10) R0F-M0-N14-J10
Task 3787 of 4096 (3,1,1,2,0,11) R0F-M0-N14-J10
Task 3788 of 4096 (3,1,1,2,0,12) R0F-M0-N14-J10
Task 3789 of 4096 (3,1,1,2,0,13) R0F-M0-N14-J10
Task 3790 of 4096 (3,1,1,2,0,14) R0F-M0-N14-J10
Task 3791 of 4096 (3,1,1,2,0,15) R0F-M0-N14-J10
Task 3792 of 4096 (3,1,1,2,1,0) R0F-M0-N14-J13
Task 3793 of 4096 (3,1,1,2,1,1) R0F-M0-N14-J13
Task 3794 of 4096 (3,1,1,2,1,2) R0F-M0-N14-J13
Task 3795 of 4096 (3,1,1,2,1,3) R0F-M0-N14-J13
Task 3796 of 4096 (3,1,1,2,1,4) R0F-M0-N14-J13
Task 3797 of 4096 (3,1,1,2,1,5) R0F-M0-N14-J13
Task 3798 of 4096 (3,1,1,2,1,6) R0F-M0-N14-J13
Task 3799 of 4096 (3,1,1,2,1,7) R0F-M0-N14-J13
Task 3800 of 4096 (3,1,1,2,1,8) R0F-M0-N14-J13
Task 3801 of 4096 (3,1,1,2,1,9) R0F-M0-N14-J13
Task 3802 of 4096 (3,1,1,2,1,10) R0F-M0-N14-J13
Task 3803 of 4096 (3,1,1,2,1,11) R0F-M0-N14-J13
Task 3804 of 4096 (3,1,1,2,1,12) R0F-M0-N14-J13
Task 3805 of 4096 (3,1,1,2,1,13) R0F-M0-N14-J13
Task 3806 of 4096 (3,1,1,2,1,14) R0F-M0-N14-J13
Task 3807 of 4096 (3,1,1,2,1,15) R0F-M0-N14-J13
Task 3808 of 4096 (3,1,1,3,0,0) R0F-M0-N14-J06
Task 3809 of 4096 (3,1,1,3,0,1) R0F-M0-N14-J06
Task 3810 of 4096 (3,1,1,3,0,2) R0F-M0-N14-J06
Task 3811 of 4096 (3,1,1,3,0,3) R0F-M0-N14-J06
Task 3812 of 4096 (3,1,1,3,0,4) R0F-M0-N14-J06
Task 3813 of 4096 (3,1,1,3,0,5) R0F-M0-N14-J06
Task 3814 of 4096 (3,1,1,3,0,6) R0F-M0-N14-J06
Task 3815 of 4096 (3,1,1,3,0,7) R0F-M0-N14-J06
Task 3816 of 4096 (3,1,1,3,0,8) R0F-M0-N14-J06
Task 3817 of 4096 (3,1,1,3,0,9) R0F-M0-N14-J06
Task 3818 of 4096 (3,1,1,3,0,10) R0F-M0-N14-J06
Task 3819 of 4096 (3,1,1,3,0,11) R0F-M0-N14-J06
Task 3820 of 4096 (3,1,1,3,0,12) R0F-M0-N14-J06
Task 3821 of 4096 (3,1,1,3,0,13) R0F-M0-N14-J06
Task 3822 of 4096 (3,1,1,3,0,14) R0F-M0-N14-J06
Task 3823 of 4096 (3,1,1,3,0,15) R0F-M0-N14-J06
Task 3824 of 4096 (3,1,1,3,1,0) R0F-M0-N14-J01
Task 3825 of 4096 (3,1,1,3,1,1) R0F-M0-N14-J01
Task 3826 of 4096 (3,1,1,3,1,2) R0F-M0-N14-J01
Task 3827 of 4096 (3,1,1,3,1,3) R0F-M0-N14-J01
Task 3828 of 4096 (3,1,1,3,1,4) R0F-M0-N14-J01
Task 3829 of 4096 (3,1,1,3,1,5) R0F-M0-N14-J01
Task 3830 of 4096 (3,1,1,3,1,6) R0F-M0-N14-J01
Task 3831 of 4096 (3,1,1,3,1,7) R0F-M0-N14-J01
Task 3832 of 4096 (3,1,1,3,1,8) R0F-M0-N14-J01
Task 3833 of 4096 (3,1,1,3,1,9) R0F-M0-N14-J01
Task 3834 of 4096 (3,1,1,3,1,10) R0F-M0-N14-J01
Task 3835 of 4096 (3,1,1,3,1,11) R0F-M0-N14-J01
Task 3836 of 4096 (3,1,1,3,1,12) R0F-M0-N14-J01
Task 3837 of 4096 (3,1,1,3,1,13) R0F-M0-N14-J01
Task 3838 of 4096 (3,1,1,3,1,14) R0F-M0-N14-J01
Task 3839 of 4096 (3,1,1,3,1,15) R0F-M0-N14-J01
Task 3840 of 4096 (3,1,2,0,0,0) R0F-M0-N13-J06
Task 3841 of 4096 (3,1,2,0,0,1) R0F-M0-N13-J06
Task 3842 of 4096 (3,1,2,0,0,2) R0F-M0-N13-J06
Task 3843 of 4096 (3,1,2,0,0,3) R0F-M0-N13-J06
Task 3844 of 4096 (3,1,2,0,0,4) R0F-M0-N13-J06
Task 3845 of 4096 (3,1,2,0,0,5) R0F-M0-N13-J06
Task 3846 of 4096 (3,1,2,0,0,6) R0F-M0-N13-J06
Task 3847 of 4096 (3,1,2,0,0,7) R0F-M0-N13-J06
Task 3848 of 4096 (3,1,2,0,0,8) R0F-M0-N13-J06
Task 3849 of 4096 (3,1,2,0,0,9) R0F-M0-N13-J06
Task 3850 of 4096 (3,1,2,0,0,10) R0F-M0-N13-J06
Task 3851 of 4096 (3,1,2,0,0,11) R0F-M0-N13-J06
Task 3852 of 4096 (3,1,2,0,0,12) R0F-M0-N13-J06
Task 3853 of 4096 (3,1,2,0,0,13) R0F-M0-N13-J06
Task 3854 of 4096 (3,1,2,0,0,14) R0F-M0-N13-J06
Task 3855 of 4096 (3,1,2,0,0,15) R0F-M0-N13-J06
Task 3856 of 4096 (3,1,2,0,1,0) R0F-M0-N13-J01
Task 3857 of 4096 (3,1,2,0,1,1) R0F-M0-N13-J01
Task 3858 of 4096 (3,1,2,0,1,2) R0F-M0-N13-J01
Task 3859 of 4096 (3,1,2,0,1,3) R0F-M0-N13-J01
Task 3860 of 4096 (3,1,2,0,1,4) R0F-M0-N13-J01
Task 3861 of 4096 (3,1,2,0,1,5) R0F-M0-N13-J01
Task 3862 of 4096 (3,1,2,0,1,6) R0F-M0-N13-J01
Task 3863 of 4096 (3,1,2,0,1,7) R0F-M0-N13-J01
Task 3864 of 4096 (3,1,2,0,1,8) R0F-M0-N13-J01
Task 3865 of 4096 (3,1,2,0,1,9) R0F-M0-N13-J01
Task 3866 of 4096 (3,1,2,0,1,10) R0F-M0-N13-J01
Task 3867 of 4096 (3,1,2,0,1,11) R0F-M0-N13-J01
Task 3868 of 4096 (3,1,2,0,1,12) R0F-M0-N13-J01
Task 3869 of 4096 (3,1,2,0,1,13) R0F-M0-N13-J01
Task 3870 of 4096 (3,1,2,0,1,14) R0F-M0-N13-J01
Task 3871 of 4096 (3,1,2,0,1,15) R0F-M0-N13-J01
Task 3872 of 4096 (3,1,2,1,0,0) R0F-M0-N13-J10
Task 3873 of 4096 (3,1,2,1,0,1) R0F-M0-N13-J10
Task 3874 of 4096 (3,1,2,1,0,2) R0F-M0-N13-J10
Task 3875 of 4096 (3,1,2,1,0,3) R0F-M0-N13-J10
Task 3876 of 4096 (3,1,2,1,0,4) R0F-M0-N13-J10
Task 3877 of 4096 (3,1,2,1,0,5) R0F-M0-N13-J10
Task 3878 of 4096 (3,1,2,1,0,6) R0F-M0-N13-J10
Task 3879 of 4096 (3,1,2,1,0,7) R0F-M0-N13-J10
Task 3880 of 4096 (3,1,2,1,0,8) R0F-M0-N13-J10
Task 3881 of 4096 (3,1,2,1,0,9) R0F-M0-N13-J10
Task 3882 of 4096 (3,1,2,1,0,10) R0F-M0-N13-J10
Task 3883 of 4096 (3,1,2,1,0,11) R0F-M0-N13-J10
Task 3884 of 4096 (3,1,2,1,0,12) R0F-M0-N13-J10
Task 3885 of 4096 (3,1,2,1,0,13) R0F-M0-N13-J10
Task 3886 of 4096 (3,1,2,1,0,14) R0F-M0-N13-J10
Task 3887 of 4096 (3,1,2,1,0,15) R0F-M0-N13-J10
Task 3888 of 4096 (3,1,2,1,1,0) R0F-M0-N13-J13
Task 3889 of 4096 (3,1,2,1,1,1) R0F-M0-N13-J13
Task 3890 of 4096 (3,1,2,1,1,2) R0F-M0-N13-J13
Task 3891 of 4096 (3,1,2,1,1,3) R0F-M0-N13-J13
Task 3892 of 4096 (3,1,2,1,1,4) R0F-M0-N13-J13
Task 3893 of 4096 (3,1,2,1,1,5) R0F-M0-N13-J13
Task 3894 of 4096 (3,1,2,1,1,6) R0F-M0-N13-J13
Task 3895 of 4096 (3,1,2,1,1,7) R0F-M0-N13-J13
Task 3896 of 4096 (3,1,2,1,1,8) R0F-M0-N13-J13
Task 3897 of 4096 (3,1,2,1,1,9) R0F-M0-N13-J13
Task 3898 of 4096 (3,1,2,1,1,10) R0F-M0-N13-J13
Task 3899 of 4096 (3,1,2,1,1,11) R0F-M0-N13-J13
Task 3900 of 4096 (3,1,2,1,1,12) R0F-M0-N13-J13
Task 3901 of 4096 (3,1,2,1,1,13) R0F-M0-N13-J13
Task 3902 of 4096 (3,1,2,1,1,14) R0F-M0-N13-J13
Task 3903 of 4096 (3,1,2,1,1,15) R0F-M0-N13-J13
Task 3904 of 4096 (3,1,2,2,0,0) R0F-M0-N15-J10
Task 3905 of 4096 (3,1,2,2,0,1) R0F-M0-N15-J10
Task 3906 of 4096 (3,1,2,2,0,2) R0F-M0-N15-J10
Task 3907 of 4096 (3,1,2,2,0,3) R0F-M0-N15-J10
Task 3908 of 4096 (3,1,2,2,0,4) R0F-M0-N15-J10
Task 3909 of 4096 (3,1,2,2,0,5) R0F-M0-N15-J10
Task 3910 of 4096 (3,1,2,2,0,6) R0F-M0-N15-J10
Task 3911 of 4096 (3,1,2,2,0,7) R0F-M0-N15-J10
Task 3912 of 4096 (3,1,2,2,0,8) R0F-M0-N15-J10
Task 3913 of 4096 (3,1,2,2,0,9) R0F-M0-N15-J10
Task 3914 of 4096 (3,1,2,2,0,10) R0F-M0-N15-J10
Task 3915 of 4096 (3,1,2,2,0,11) R0F-M0-N15-J10
Task 3916 of 4096 (3,1,2,2,0,12) R0F-M0-N15-J10
Task 3917 of 4096 (3,1,2,2,0,13) R0F-M0-N15-J10
Task 3918 of 4096 (3,1,2,2,0,14) R0F-M0-N15-J10
Task 3919 of 4096 (3,1,2,2,0,15) R0F-M0-N15-J10
Task 3920 of 4096 (3,1,2,2,1,0) R0F-M0-N15-J13
Task 3921 of 4096 (3,1,2,2,1,1) R0F-M0-N15-J13
Task 3922 of 4096 (3,1,2,2,1,2) R0F-M0-N15-J13
Task 3923 of 4096 (3,1,2,2,1,3) R0F-M0-N15-J13
Task 3924 of 4096 (3,1,2,2,1,4) R0F-M0-N15-J13
Task 3925 of 4096 (3,1,2,2,1,5) R0F-M0-N15-J13
Task 3926 of 4096 (3,1,2,2,1,6) R0F-M0-N15-J13
Task 3927 of 4096 (3,1,2,2,1,7) R0F-M0-N15-J13
Task 3928 of 4096 (3,1,2,2,1,8) R0F-M0-N15-J13
Task 3929 of 4096 (3,1,2,2,1,9) R0F-M0-N15-J13
Task 3930 of 4096 (3,1,2,2,1,10) R0F-M0-N15-J13
Task 3931 of 4096 (3,1,2,2,1,11) R0F-M0-N15-J13
Task 3932 of 4096 (3,1,2,2,1,12) R0F-M0-N15-J13
Task 3933 of 4096 (3,1,2,2,1,13) R0F-M0-N15-J13
Task 3934 of 4096 (3,1,2,2,1,14) R0F-M0-N15-J13
Task 3935 of 4096 (3,1,2,2,1,15) R0F-M0-N15-J13
Task 3936 of 4096 (3,1,2,3,0,0) R0F-M0-N15-J06
Task 3937 of 4096 (3,1,2,3,0,1) R0F-M0-N15-J06
Task 3938 of 4096 (3,1,2,3,0,2) R0F-M0-N15-J06
Task 3939 of 4096 (3,1,2,3,0,3) R0F-M0-N15-J06
Task 3940 of 4096 (3,1,2,3,0,4) R0F-M0-N15-J06
Task 3941 of 4096 (3,1,2,3,0,5) R0F-M0-N15-J06
Task 3942 of 4096 (3,1,2,3,0,6) R0F-M0-N15-J06
Task 3943 of 4096 (3,1,2,3,0,7) R0F-M0-N15-J06
Task 3944 of 4096 (3,1,2,3,0,8) R0F-M0-N15-J06
Task 3945 of 4096 (3,1,2,3,0,9) R0F-M0-N15-J06
Task 3946 of 4096 (3,1,2,3,0,10) R0F-M0-N15-J06
Task 3947 of 4096 (3,1,2,3,0,11) R0F-M0-N15-J06
Task 3948 of 4096 (3,1,2,3,0,12) R0F-M0-N15-J06
Task 3949 of 4096 (3,1,2,3,0,13) R0F-M0-N15-J06
Task 3950 of 4096 (3,1,2,3,0,14) R0F-M0-N15-J06
Task 3951 of 4096 (3,1,2,3,0,15) R0F-M0-N15-J06
Task 3952 of 4096 (3,1,2,3,1,0) R0F-M0-N15-J01
Task 3953 of 4096 (3,1,2,3,1,1) R0F-M0-N15-J01
Task 3954 of 4096 (3,1,2,3,1,2) R0F-M0-N15-J01
Task 3955 of 4096 (3,1,2,3,1,3) R0F-M0-N15-J01
Task 3956 of 4096 (3,1,2,3,1,4) R0F-M0-N15-J01
Task 3957 of 4096 (3,1,2,3,1,5) R0F-M0-N15-J01
Task 3958 of 4096 (3,1,2,3,1,6) R0F-M0-N15-J01
Task 3959 of 4096 (3,1,2,3,1,7) R0F-M0-N15-J01
Task 3960 of 4096 (3,1,2,3,1,8) R0F-M0-N15-J01
Task 3961 of 4096 (3,1,2,3,1,9) R0F-M0-N15-J01
Task 3962 of 4096 (3,1,2,3,1,10) R0F-M0-N15-J01
Task 3963 of 4096 (3,1,2,3,1,11) R0F-M0-N15-J01
Task 3964 of 4096 (3,1,2,3,1,12) R0F-M0-N15-J01
Task 3965 of 4096 (3,1,2,3,1,13) R0F-M0-N15-J01
Task 3966 of 4096 (3,1,2,3,1,14) R0F-M0-N15-J01
Task 3967 of 4096 (3,1,2,3,1,15) R0F-M0-N15-J01
Task 3968 of 4096 (3,1,3,0,0,0) R0F-M0-N13-J07
Task 3969 of 4096 (3,1,3,0,0,1) R0F-M0-N13-J07
Task 3970 of 4096 (3,1,3,0,0,2) R0F-M0-N13-J07
Task 3971 of 4096 (3,1,3,0,0,3) R0F-M0-N13-J07
Task 3972 of 4096 (3,1,3,0,0,4) R0F-M0-N13-J07
Task 3973 of 4096 (3,1,3,0,0,5) R0F-M0-N13-J07
Task 3974 of 4096 (3,1,3,0,0,6) R0F-M0-N13-J07
Task 3975 of 4096 (3,1,3,0,0,7) R0F-M0-N13-J07
Task 3976 of 4096 (3,1,3,0,0,8) R0F-M0-N13-J07
Task 3977 of 4096 (3,1,3,0,0,9) R0F-M0-N13-J07
Task 3978 of 4096 (3,1,3,0,0,10) R0F-M0-N13-J07
Task 3979 of 4096 (3,1,3,0,0,11) R0F-M0-N13-J07
Task 3980 of 4096 (3,1,3,0,0,12) R0F-M0-N13-J07
Task 3981 of 4096 (3,1,3,0,0,13) R0F-M0-N13-J07
Task 3982 of 4096 (3,1,3,0,0,14) R0F-M0-N13-J07
Task 3983 of 4096 (3,1,3,0,0,15) R0F-M0-N13-J07
Task 3984 of 4096 (3,1,3,0,1,0) R0F-M0-N13-J00
Task 3985 of 4096 (3,1,3,0,1,1) R0F-M0-N13-J00
Task 3986 of 4096 (3,1,3,0,1,2) R0F-M0-N13-J00
Task 3987 of 4096 (3,1,3,0,1,3) R0F-M0-N13-J00
Task 3988 of 4096 (3,1,3,0,1,4) R0F-M0-N13-J00
Task 3989 of 4096 (3,1,3,0,1,5) R0F-M0-N13-J00
Task 3990 of 4096 (3,1,3,0,1,6) R0F-M0-N13-J00
Task 3991 of 4096 (3,1,3,0,1,7) R0F-M0-N13-J00
Task 3992 of 4096 (3,1,3,0,1,8) R0F-M0-N13-J00
Task 3993 of 4096 (3,1,3,0,1,9) R0F-M0-N13-J00
Task 3994 of 4096 (3,1,3,0,1,10) R0F-M0-N13-J00
Task 3995 of 4096 (3,1,3,0,1,11) R0F-M0-N13-J00
Task 3996 of 4096 (3,1,3,0,1,12) R0F-M0-N13-J00
Task 3997 of 4096 (3,1,3,0,1,13) R0F-M0-N13-J00
Task 3998 of 4096 (3,1,3,0,1,14) R0F-M0-N13-J00
Task 3999 of 4096 (3,1,3,0,1,15) R0F-M0-N13-J00
Task 4000 of 4096 (3,1,3,1,0,0) R0F-M0-N13-J11
Task 4001 of 4096 (3,1,3,1,0,1) R0F-M0-N13-J11
Task 4002 of 4096 (3,1,3,1,0,2) R0F-M0-N13-J11
Task 4003 of 4096 (3,1,3,1,0,3) R0F-M0-N13-J11
Task 4004 of 4096 (3,1,3,1,0,4) R0F-M0-N13-J11
Task 4005 of 4096 (3,1,3,1,0,5) R0F-M0-N13-J11
Task 4006 of 4096 (3,1,3,1,0,6) R0F-M0-N13-J11
Task 4007 of 4096 (3,1,3,1,0,7) R0F-M0-N13-J11
Task 4008 of 4096 (3,1,3,1,0,8) R0F-M0-N13-J11
Task 4009 of 4096 (3,1,3,1,0,9) R0F-M0-N13-J11
Task 4010 of 4096 (3,1,3,1,0,10) R0F-M0-N13-J11
Task 4011 of 4096 (3,1,3,1,0,11) R0F-M0-N13-J11
Task 4012 of 4096 (3,1,3,1,0,12) R0F-M0-N13-J11
Task 4013 of 4096 (3,1,3,1,0,13) R0F-M0-N13-J11
Task 4014 of 4096 (3,1,3,1,0,14) R0F-M0-N13-J11
Task 4015 of 4096 (3,1,3,1,0,15) R0F-M0-N13-J11
Task 4016 of 4096 (3,1,3,1,1,0) R0F-M0-N13-J12
Task 4017 of 4096 (3,1,3,1,1,1) R0F-M0-N13-J12
Task 4018 of 4096 (3,1,3,1,1,2) R0F-M0-N13-J12
Task 4019 of 4096 (3,1,3,1,1,3) R0F-M0-N13-J12
Task 4020 of 4096 (3,1,3,1,1,4) R0F-M0-N13-J12
Task 4021 of 4096 (3,1,3,1,1,5) R0F-M0-N13-J12
Task 4022 of 4096 (3,1,3,1,1,6) R0F-M0-N13-J12
Task 4023 of 4096 (3,1,3,1,1,7) R0F-M0-N13-J12
Task 4024 of 4096 (3,1,3,1,1,8) R0F-M0-N13-J12
Task 4025 of 4096 (3,1,3,1,1,9) R0F-M0-N13-J12
Task 4026 of 4096 (3,1,3,1,1,10) R0F-M0-N13-J12
Task 4027 of 4096 (3,1,3,1,1,11) R0F-M0-N13-J12
Task 4028 of 4096 (3,1,3,1,1,12) R0F-M0-N13-J12
Task 4029 of 4096 (3,1,3,1,1,13) R0F-M0-N13-J12
Task 4030 of 4096 (3,1,3,1,1,14) R0F-M0-N13-J12
Task 4031 of 4096 (3,1,3,1,1,15) R0F-M0-N13-J12
Task 4032 of 4096 (3,1,3,2,0,0) R0F-M0-N15-J11
Task 4033 of 4096 (3,1,3,2,0,1) R0F-M0-N15-J11
Task 4034 of 4096 (3,1,3,2,0,2) R0F-M0-N15-J11
Task 4035 of 4096 (3,1,3,2,0,3) R0F-M0-N15-J11
Task 4036 of 4096 (3,1,3,2,0,4) R0F-M0-N15-J11
Task 4037 of 4096 (3,1,3,2,0,5) R0F-M0-N15-J11
Task 4038 of 4096 (3,1,3,2,0,6) R0F-M0-N15-J11
Task 4039 of 4096 (3,1,3,2,0,7) R0F-M0-N15-J11
Task 4040 of 4096 (3,1,3,2,0,8) R0F-M0-N15-J11
Task 4041 of 4096 (3,1,3,2,0,9) R0F-M0-N15-J11
Task 4042 of 4096 (3,1,3,2,0,10) R0F-M0-N15-J11
Task 4043 of 4096 (3,1,3,2,0,11) R0F-M0-N15-J11
Task 4044 of 4096 (3,1,3,2,0,12) R0F-M0-N15-J11
Task 4045 of 4096 (3,1,3,2,0,13) R0F-M0-N15-J11
Task 4046 of 4096 (3,1,3,2,0,14) R0F-M0-N15-J11
Task 4047 of 4096 (3,1,3,2,0,15) R0F-M0-N15-J11
Task 4048 of 4096 (3,1,3,2,1,0) R0F-M0-N15-J12
Task 4049 of 4096 (3,1,3,2,1,1) R0F-M0-N15-J12
Task 4050 of 4096 (3,1,3,2,1,2) R0F-M0-N15-J12
Task 4051 of 4096 (3,1,3,2,1,3) R0F-M0-N15-J12
Task 4052 of 4096 (3,1,3,2,1,4) R0F-M0-N15-J12
Task 4053 of 4096 (3,1,3,2,1,5) R0F-M0-N15-J12
Task 4054 of 4096 (3,1,3,2,1,6) R0F-M0-N15-J12
Task 4055 of 4096 (3,1,3,2,1,7) R0F-M0-N15-J12
Task 4056 of 4096 (3,1,3,2,1,8) R0F-M0-N15-J12
Task 4057 of 4096 (3,1,3,2,1,9) R0F-M0-N15-J12
Task 4058 of 4096 (3,1,3,2,1,10) R0F-M0-N15-J12
Task 4059 of 4096 (3,1,3,2,1,11) R0F-M0-N15-J12
Task 4060 of 4096 (3,1,3,2,1,12) R0F-M0-N15-J12
Task 4061 of 4096 (3,1,3,2,1,13) R0F-M0-N15-J12
Task 4062 of 4096 (3,1,3,2,1,14) R0F-M0-N15-J12
Task 4063 of 4096 (3,1,3,2,1,15) R0F-M0-N15-J12
Task 4064 of 4096 (3,1,3,3,0,0) R0F-M0-N15-J07
Task 4065 of 4096 (3,1,3,3,0,1) R0F-M0-N15-J07
Task 4066 of 4096 (3,1,3,3,0,2) R0F-M0-N15-J07
Task 4067 of 4096 (3,1,3,3,0,3) R0F-M0-N15-J07
Task 4068 of 4096 (3,1,3,3,0,4) R0F-M0-N15-J07
Task 4069 of 4096 (3,1,3,3,0,5) R0F-M0-N15-J07
Task 4070 of 4096 (3,1,3,3,0,6) R0F-M0-N15-J07
Task 4071 of 4096 (3,1,3,3,0,7) R0F-M0-N15-J07
Task 4072 of 4096 (3,1,3,3,0,8) R0F-M0-N15-J07
Task 4073 of 4096 (3,1,3,3,0,9) R0F-M0-N15-J07
Task 4074 of 4096 (3,1,3,3,0,10) R0F-M0-N15-J07
Task 4075 of 4096 (3,1,3,3,0,11) R0F-M0-N15-J07
Task 4076 of 4096 (3,1,3,3,0,12) R0F-M0-N15-J07
Task 4077 of 4096 (3,1,3,3,0,13) R0F-M0-N15-J07
Task 4078 of 4096 (3,1,3,3,0,14) R0F-M0-N15-J07
Task 4079 of 4096 (3,1,3,3,0,15) R0F-M0-N15-J07
Task 4080 of 4096 (3,1,3,3,1,0) R0F-M0-N15-J00
Task 4081 of 4096 (3,1,3,3,1,1) R0F-M0-N15-J00
Task 4082 of 4096 (3,1,3,3,1,2) R0F-M0-N15-J00
Task 4083 of 4096 (3,1,3,3,1,3) R0F-M0-N15-J00
Task 4084 of 4096 (3,1,3,3,1,4) R0F-M0-N15-J00
Task 4085 of 4096 (3,1,3,3,1,5) R0F-M0-N15-J00
Task 4086 of 4096 (3,1,3,3,1,6) R0F-M0-N15-J00
Task 4087 of 4096 (3,1,3,3,1,7) R0F-M0-N15-J00
Task 4088 of 4096 (3,1,3,3,1,8) R0F-M0-N15-J00
Task 4089 of 4096 (3,1,3,3,1,9) R0F-M0-N15-J00
Task 4090 of 4096 (3,1,3,3,1,10) R0F-M0-N15-J00
Task 4091 of 4096 (3,1,3,3,1,11) R0F-M0-N15-J00
Task 4092 of 4096 (3,1,3,3,1,12) R0F-M0-N15-J00
Task 4093 of 4096 (3,1,3,3,1,13) R0F-M0-N15-J00
Task 4094 of 4096 (3,1,3,3,1,14) R0F-M0-N15-J00
Task 4095 of 4096 (3,1,3,3,1,15) R0F-M0-N15-J00
[qbox] set nrowmax 256
[qbox] load md114.xml
LoadCmd: loading from md114.xml
SampleReader: reading from file md114.xml size: 1595163516
XMLGFPreprocessor: read time: 5.042
XMLGFPreprocessor: local read rate: 0.07366 MB/s aggregate read rate: 301.7 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 2.469
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004943
XMLGFPreprocessor: byte swapping time: 0.000576
XMLGFPreprocessor: data redistribution time: 0.129
XMLGFPreprocessor: XML compacting time: 0.01543
XMLGFPreprocessor: total time: 10.49
xmlcontent.size(): 73356
Starting XML parsing
SpeciesHandler: found href in species definition
name=oxygen href=/home/agaiduk/pp/O_HSCV_PBE-1.0.xml
species oxygen:
PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
psgen arguments:
-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
O
8
16
6
1
1
0
0
0.01
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=hydrogen href=/home/agaiduk/pp/D_HSCV_PBE-1.0.xml
species hydrogen:
HSCV PBE Deuterium
PSGen-1.6.0 pseudopotential: HSCV H xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:24:50Z
psgen arguments:
-element H -xc PBE -smooth_v -bound l=0:rc=0.5
D
1
2.014000
1
0
0
0
0.000000
0.010000
local potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=sodium href=/home/agaiduk/pp/Na_TM_PBE.xml
species sodium:
TM PBE
Na
11
22.990000
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=chlorine href=/home/agaiduk/pp/Cl_HSCV_PBE-1.0.xml
species chlorine:
PSGen-1.6.0 pseudopotential: HSCV Cl xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:48Z
psgen arguments:
-element Cl -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
-scat l=2:rc=1.2
Cl
17
35.452700
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
WavefunctionHandler::startElement: wavefunction nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
WavefunctionHandler::startElement: wavefunction_velocity nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
XML parsing done
wavefunction was read
wavefunction velocity was read
SampleReader::readSample: grid nx,ny,nz=70 70 70
SampleReader: read time: 12.724519 s
[qbox] reset_vcm
[qbox] set ecut 85
[qbox] set xc PBE0
[qbox] set btHF 0.02
[qbox] set blHF 2 2 2
[qbox] set wf_dyn PSDA
[qbox] set ecutprec 5
[qbox] set wf_diag MLWF
[qbox]
[qbox] set atoms_dyn MD
[qbox] set dt 15
[qbox]
[qbox] run 100 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.398 s
total exchange = -52.3845888649 (a.u.)
total exchange computation time: 2.6897518635 s
679.07076934
-1084.09791387
89.81033331
-388.92324462
-174.88825212
78.48683014
551.60419304
0.00000000
-931.41289683
3.88065360 -30.97521184 -2.25208123
0.00002667 0.00038484 -0.00016727
0.00327938 0.00095544 0.00147218
-12.02404623 -2.26059664 -9.07736414
0.00037278 0.00006469 0.00002847
-0.00630301 -0.00194072 -0.03417468
-37.36954184 2.28571560 -0.15965540
-0.00017905 0.00036600 0.00015148
0.01096486 -0.03110190 0.01079246
-11.32049221 -3.92167183 3.86242448
-0.00031533 -0.00014241 0.00000756
0.00059813 0.00613281 -0.00218315
4.81734752 -3.81528736 9.67105459
-0.00022757 -0.00005548 -0.00028137
0.00024130 0.01736840 0.00167519
-32.04310294 -1.23518973 -0.75185914
0.00043872 0.00023137 0.00015137
-0.03049803 -0.00142462 0.00366562
15.27619200 12.53503671 -14.13575905
-0.00052970 0.00004169 0.00031620
0.04984372 -0.02586967 0.01170428
-7.71747574 5.70875171 2.40208813
-0.00000819 0.00015425 -0.00014028
0.00009266 0.01369859 0.01498793
7.27343397 12.45327326 -5.51316673
0.00024386 0.00005124 0.00016036
0.01731445 0.01921242 -0.02149378
9.02363441 9.68286282 -19.15769898
-0.00001770 0.00032167 0.00014102
-0.01503966 -0.01025921 -0.00167155
23.06946212 17.59026480 -2.08096981
0.00029508 -0.00037383 -0.00013064
0.02920015 0.01387518 0.00502035
2.14773817 16.95815099 -18.97640581
0.00006860 -0.00024524 -0.00013736
-0.01235268 0.03439845 -0.00574287
14.09010927 -1.59006864 -5.30962181
-0.00012154 0.00019975 0.00001018
0.01419806 0.01406757 0.01142592
-16.13233536 -1.98410365 3.47438091
0.00005621 0.00027256 -0.00033078
-0.02031740 -0.02747272 -0.00164484
-17.10275544 -1.65258110 19.54039587
0.00002795 -0.00012705 -0.00024719
0.02977925 0.00674009 0.01957001
0.15218417 2.22807893 -5.25725371
0.00027840 -0.00004882 0.00008448
-0.00840016 -0.02100128 0.01138497
22.24976331 -7.14975109 -8.97796079
0.00014850 -0.00006819 0.00000216
-0.02133372 -0.00909914 -0.01177340
-0.43326249 -6.52247325 7.24462994
0.00002487 0.00013326 -0.00005254
-0.00729983 0.01110441 0.02025668
-1.98683095 -1.58552364 -19.23265797
0.00023375 0.00006436 -0.00012641
-0.03797689 0.00939842 -0.01078136
3.47387910 2.32929556 -9.31193438
-0.00017283 -0.00013061 0.00013331
-0.00422525 0.00467599 -0.01419118
-3.59874267 18.20967511 12.04479391
-0.00001910 -0.00031313 0.00027975
-0.00816375 -0.00278212 0.00111361
-3.53050807 4.96672830 -11.54184226
-0.00033072 0.00013780 0.00066278
0.00492924 -0.01033156 0.03894387
-8.31411545 3.40252729 -8.88665066
0.00036202 -0.00018487 -0.00023958
-0.03376934 -0.02906419 0.03496460
1.64807342 27.16261644 8.37097714
0.00039603 0.00030998 0.00012291
0.00460536 0.01687342 -0.02215550
10.20589761 -6.16239905 -2.01973146
-0.00023085 -0.00003569 -0.00014982
-0.00625099 0.00761393 0.00304133
-8.92101013 0.43009400 5.78907239
0.00034638 0.00023385 0.00004823
-0.01041357 0.00155383 0.01171954
20.58147498 10.70108190 8.75768557
-0.00014974 -0.00018987 0.00005249
-0.00828309 -0.00969506 0.01661217
-2.98237108 -2.17083352 -27.10981141
0.00029685 -0.00004450 -0.00011519
0.00274013 -0.00450494 0.02895829
-14.25634704 5.96567019 7.27749005
-0.00009014 0.00017328 0.00030974
-0.00153833 0.01993124 -0.00436079
-10.06852855 7.06496208 -2.73832069
0.00021524 0.00019970 0.00024737
0.00965414 0.01292867 -0.03002664
-1.61925813 -15.88536480 24.34610796
-0.00007441 0.00027814 -0.00046804
0.07802790 -0.00681528 -0.01309881
-2.59643866 6.49204976 -6.50311220
0.00006179 -0.00023501 0.00004759
0.02691866 -0.01068222 0.00911524
-20.66820876 31.13285192 4.67357149
0.00068221 -0.00015383 -0.00021208
-0.01115927 -0.01054356 0.00007393
7.57266499 -0.02003432 8.20665965
0.00006517 -0.00004455 -0.00003401
-0.01363569 0.02817593 -0.01442046
5.39625294 11.18360321 -13.88737489
0.00025282 0.00010290 -0.00006043
-0.01206827 0.01332983 -0.01607778
16.05638537 3.40767612 -1.92191607
-0.00041831 -0.00035533 -0.00011651
-0.00486927 -0.00202842 0.00065798
-3.96307425 13.59313281 -1.42376578
-0.00027827 0.00014347 0.00032358
-0.00090395 -0.00848979 0.00745571
4.60520363 12.87721849 3.34827638
-0.00028776 -0.00033838 -0.00001807
-0.01872561 0.01873545 -0.00619116
24.80644790 -11.86781260 -9.43284169
0.00003952 0.00000268 -0.00005018
0.00419294 0.00016513 -0.04119139
16.51022992 -3.97381551 -0.26758654
-0.00026027 -0.00008335 -0.00023682
0.03011829 -0.02352210 0.00030076
12.84917935 7.91421740 9.75987634
0.00018763 -0.00007530 0.00008219
0.00685162 0.01173942 -0.00719427
1.92567624 -13.68635755 17.73453471
-0.00021413 -0.00033212 -0.00005853
0.00124753 -0.01351165 -0.00282961
-4.40502971 -0.51114829 -14.74493109
-0.00020045 -0.00015868 0.00026544
0.00073208 -0.02983074 0.03687251
14.87231623 -8.37065380 -9.23987320
0.00019042 0.00054073 0.00038482
0.01409775 -0.01663736 -0.01591743
9.03905512 -6.33656635 8.43247500
-0.00030176 -0.00038715 0.00020411
0.03158850 -0.00353730 -0.02818825
-21.32785399 2.26238343 22.49560332
-0.00002712 0.00005052 0.00005723
-0.00134338 -0.00925896 0.00512602
25.84850103 -2.97778044 -7.51908734
0.00008973 -0.00023156 -0.00040654
-0.00421216 -0.01140010 0.00938969
9.89792406 -14.05884163 -7.57340903
-0.00021251 -0.00022166 -0.00009586
0.01191147 -0.00672715 -0.00879453
-6.00790676 -11.84196893 16.63724396
-0.00044323 -0.00044429 0.00011576
0.01389680 0.00048256 0.03114386
8.26970323 3.38427440 -29.62202082
-0.00006728 0.00019363 0.00027548
0.04749050 0.00405151 -0.00287401
11.07165750 15.74988517 15.09216874
0.00002853 -0.00008392 -0.00000646
-0.02429689 0.00565566 0.04980003
28.33394958 6.19583992 -2.99274570
0.00027043 -0.00030244 -0.00013822
0.01734957 -0.00601054 0.00787619
5.30441071 -31.55047231 -3.35866081
0.00009808 -0.00004466 -0.00008486
-0.00708930 0.00710132 0.00525456
4.42100653 -31.20372350 -0.52193507
-0.00019693 -0.00068419 0.00013675
-0.00399519 -0.00395044 0.00230984
-12.02783367 -4.09195754 -8.73534936
0.00059682 0.00062536 0.00007513
0.00210245 0.00745603 0.01134586
-12.35542761 -2.35328395 -10.90617646
-0.00051183 -0.00014182 -0.00009100
0.00286225 0.01064026 0.01662140
-38.42548713 1.99448003 1.28807363
-0.00045207 0.00032604 -0.00102290
-0.00221439 0.00199176 0.00438745
-37.82383584 3.85576448 -0.93733291
0.00022922 -0.00010978 0.00008311
-0.00708266 0.02479106 -0.00939853
-10.82839721 -5.63261487 3.42132361
-0.00070303 0.00120211 -0.00007283
0.01338671 -0.00134264 0.00108034
-9.81835278 -2.81606396 3.83313153
-0.00007571 -0.00046050 -0.00060312
-0.01228379 -0.00949017 0.00165223
5.76830187 -2.13056440 9.52025622
-0.00042357 -0.00012006 -0.00098696
-0.01907091 -0.03034885 0.00551449
4.07742307 -3.95767296 11.36539229
0.00002913 0.00110764 -0.00012380
0.01429614 0.00422888 -0.01061603
-33.56710570 -2.24217664 -0.42355038
0.00031596 -0.00006342 -0.00068211
0.01505477 0.00316936 -0.00237823
-32.69579544 0.43151227 -0.46462500
0.00024486 0.00118319 0.00035729
0.00050860 0.01156874 0.00670354
14.83886127 13.27770622 -15.75369688
0.00028836 0.00001442 -0.00162043
0.00016379 0.00052924 -0.00661739
17.11671136 11.86911468 -14.24131061
-0.00049760 0.00058010 0.00067289
-0.05026641 0.01436301 -0.00202342
-8.12389922 7.11743744 1.32254475
-0.00030299 -0.00033769 0.00019201
-0.00451310 0.00339612 0.00285002
-6.90485972 4.59005738 1.22564239
-0.00052947 0.00089726 0.00093875
0.00312792 -0.01591887 -0.00548623
6.12423055 12.69957973 -6.92846465
-0.00018996 0.00017541 -0.00037120
-0.00037457 -0.00582129 0.00343248
8.63257891 13.75440684 -5.93688181
0.00046936 0.00056696 -0.00075824
-0.00925428 -0.01698505 0.00049648
9.06310952 9.17243198 -20.93976630
-0.00067095 -0.00012718 0.00018597
0.01100569 0.00251728 0.01678697
10.71198633 10.03946525 -18.52783045
-0.00041759 -0.00042042 -0.00029159
-0.00054161 0.00624585 -0.01716103
24.50114322 16.37081170 -2.36469311
0.00047788 -0.00126636 -0.00046779
-0.02209858 0.00302407 -0.00172234
24.01432351 19.21700645 -2.12228058
0.00012788 -0.00039673 0.00003118
-0.00503826 -0.01880204 -0.00208888
2.09278727 17.62869193 -20.67877315
0.00060012 0.00006644 -0.00144654
-0.01150100 -0.00070167 -0.00604044
3.43132780 15.71545785 -19.04299733
-0.00017398 -0.00015900 -0.00078569
0.01356411 -0.03559308 0.00296519
13.42082756 -2.45497395 -6.73892125
0.00007532 0.00070029 0.00000619
-0.01699260 0.00315688 -0.01208371
12.76164271 -0.91690537 -4.22513126
0.00044896 0.00066715 0.00076550
0.00095121 -0.01440344 -0.00974856
-17.41356146 -3.39858545 3.68716713
0.00050312 -0.00024243 -0.00063976
0.00907549 0.03662642 0.00371494
-14.74228234 -2.98087198 2.83353419
-0.00053025 0.00014009 0.00009126
0.01433582 0.00980991 0.00743712
-16.59654431 -0.01167450 20.39791721
0.00041064 -0.00005712 -0.00095065
-0.00714879 -0.00548708 -0.01085514
-15.60755596 -2.61085579 20.10049679
0.00080301 -0.00076934 -0.00063076
-0.01831624 -0.00082318 -0.01137024
-0.94272635 0.75189299 -4.86762797
-0.00004595 -0.00000265 0.00036808
0.00772632 0.00345237 -0.01148613
-1.05860952 3.57069413 -5.03030335
0.00013652 -0.00093556 0.00104513
-0.00209878 0.01449513 -0.00403923
22.83520562 -8.90015699 -9.07065628
0.00057392 0.00090410 -0.00050299
0.01333052 0.01374640 0.00888895
23.29896173 -5.92371316 -8.15366439
0.00036179 -0.00052146 -0.00055543
0.01613008 -0.00370129 0.00732290
0.71617387 -5.78345357 6.05090908
-0.00007213 -0.00003927 -0.00050668
0.00366775 -0.00554275 -0.01471815
-0.24568931 -5.29842544 8.60175619
-0.00052529 0.00040132 -0.00016060
-0.00457812 -0.01030046 0.00310662
-1.14200919 -3.10793673 -18.91805512
-0.00003149 0.00094055 0.00073412
0.02400227 -0.02563652 0.00795555
-3.56283325 -2.28550508 -19.99603525
0.00033589 0.00087075 -0.00025144
0.01034265 0.01131063 -0.00269421
2.90320355 3.29757599 -10.80588885
0.00020318 -0.00071425 -0.00156548
0.00437641 -0.01068058 0.01081640
2.07445713 2.29789352 -8.11318993
-0.00061597 -0.00049698 0.00016989
-0.00250159 0.00422678 0.00424550
-2.35217564 16.83226059 12.31733689
-0.00040141 0.00020442 0.00049494
-0.00473960 0.01008597 0.00311522
-3.83847466 19.01348039 13.69145401
0.00003838 0.00019754 -0.00118778
0.00995408 -0.00333134 -0.00309528
-3.77859927 6.03392998 -12.88648660
-0.00080011 0.00052797 -0.00042464
-0.01265139 0.04648197 -0.03587773
-3.45755062 3.41521697 -12.39581041
0.00130563 -0.00026654 -0.00024816
0.00255396 -0.04079789 -0.00898072
-7.48338662 2.23336717 -7.71716174
-0.00037503 -0.00008257 0.00103720
-0.00533264 0.00678828 -0.01123557
-7.10267538 4.14203265 -9.90090161
0.00025996 -0.00063549 0.00061576
0.03503981 0.01914795 -0.02258951
1.84305625 28.32391154 6.86433529
-0.00010888 -0.00039891 -0.00035109
0.00346123 -0.01478139 0.02593052
-0.00619481 27.57720142 8.99533911
0.00092481 -0.00040032 -0.00006586
-0.00127180 -0.00152071 0.00291270
11.18112617 -6.46816884 -0.51725394
-0.00078079 -0.00034778 0.00067213
0.01338474 -0.00444325 0.00757670
9.04337607 -7.55030023 -1.95407541
-0.00037487 -0.00009545 -0.00041788
-0.00612485 -0.00420673 -0.00573657
-7.35547514 -0.15074865 6.65066182
0.00102499 0.00055094 -0.00037591
0.00416372 0.00507480 -0.00724183
-10.27687642 -0.01854765 6.94130102
-0.00015348 -0.00100373 0.00064523
-0.00037604 -0.00303053 -0.00504999
21.11995700 10.36609783 10.52363132
0.00078402 0.00014167 -0.00004948
-0.00435586 0.00960538 -0.02334937
20.54222004 12.52019809 8.48657652
-0.00053505 0.00066107 0.00039721
0.01542999 0.00621428 0.00296300
-1.71226137 -3.04468220 -25.99999374
-0.00035392 0.00078691 0.00014902
-0.02035381 0.00226087 -0.01764219
-4.60809689 -2.21723297 -26.14942348
0.00129077 -0.00023855 -0.00050725
0.02444534 -0.00166946 -0.01393217
-14.85008182 7.17811089 8.52772603
0.00100450 -0.00016733 0.00104190
-0.00139403 -0.00853819 0.00006684
-14.10778728 7.15587542 5.85909038
-0.00045547 -0.00016352 0.00030825
-0.00481166 -0.00967302 -0.00259900
-11.33309057 6.88867098 -4.10365138
0.00067728 -0.00035017 -0.00006871
0.00495370 -0.00226856 0.01659276
-8.89795833 8.13751781 -3.74550252
-0.00022344 -0.00036850 -0.00030193
-0.00468281 -0.00544980 0.01472099
-1.09254246 -17.49259392 23.56304228
-0.00076376 -0.00078265 -0.00033371
0.00984120 0.00474115 0.00047068
-3.29529780 -16.01896577 24.49069999
0.00011651 -0.00003327 -0.00019052
-0.09152029 -0.00087653 0.01148719
-3.19698169 5.74852451 -8.01647619
-0.00050180 -0.00019249 0.00057172
-0.00186696 -0.00707533 -0.01976009
-3.94063815 7.52259150 -5.93403864
0.00043052 0.00006750 -0.00057893
-0.02265875 0.02231393 0.01020035
-21.89709414 29.87005697 3.91780623
0.00066712 0.00085646 -0.00049163
0.01160780 0.01273791 -0.01200887
-21.84247116 32.06007340 5.72379054
-0.00013626 0.00111186 -0.00101781
0.00357310 0.00410439 0.01005460
6.90800556 -0.21146906 6.47571363
-0.00061006 0.00037562 -0.00070521
0.00883351 -0.01783290 -0.00059442
6.73384405 1.59027120 8.55369034
0.00051079 -0.00000148 0.00012648
0.01056584 -0.00361103 0.00921014
6.75904008 12.24154764 -13.29997319
-0.00053673 0.00029381 0.00015950
0.00476192 0.00525363 0.00140017
4.67455836 12.23184023 -15.29739428
-0.00103212 0.00057189 -0.00095084
0.01192924 -0.01869568 0.02428088
14.61810501 4.54999047 -2.24601997
0.00017060 -0.00018845 -0.00044773
0.00182449 -0.01064012 -0.00887491
15.58111571 1.70288483 -2.42764804
-0.00049252 -0.00138102 0.00065874
0.00095085 0.01247594 0.00171845
-2.38053840 13.37008886 -0.52510767
-0.00052293 0.00004965 0.00063174
-0.00224536 0.00225520 -0.00615752
-5.24724389 13.31197096 -0.11654868
0.00064164 0.00011730 0.00033900
-0.00183110 -0.00821826 0.00052591
3.54488423 11.39650599 3.57420261
0.00114009 0.00059206 0.00029715
-0.00629037 -0.01496378 -0.00165873
6.30799059 12.39194338 3.41130273
0.00022791 0.00052292 0.00050253
0.03328551 -0.01932748 0.00174593
24.71463325 -13.57968724 -8.82083875
0.00073911 0.00040443 -0.00011654
0.00145987 0.00121092 0.00346674
25.36467097 -11.97760366 -11.28248282
0.00043043 0.00076580 0.00071463
-0.00221484 0.00577029 0.03403572
14.83523340 -3.66210044 -0.79037717
-0.00049717 -0.00074405 -0.00023370
-0.01767157 0.00941903 -0.00348689
16.97712363 -5.71352606 -0.87285362
0.00029823 0.00052534 0.00048057
-0.00018341 0.02849182 0.00664023
11.77270768 7.86504689 11.25783099
-0.00076047 -0.00053175 0.00067901
0.00472836 0.01566844 -0.00145103
13.15585757 9.64323002 9.08754393
-0.00067325 -0.00012585 -0.00061024
-0.00442796 -0.01485621 0.01794010
0.40914113 -14.29938017 16.93246567
-0.00069344 0.00078956 0.00006657
-0.00794461 -0.00753580 -0.00047088
1.60558368 -11.95393565 18.03210471
-0.00064391 0.00027115 -0.00003141
0.00184773 0.02067526 0.00745490
-4.48563145 -1.80655523 -13.29922628
0.00018661 -0.00041756 -0.00052137
0.01124062 0.02452340 -0.03130859
-3.32442164 -1.19823978 -16.11187793
0.00139819 0.00025722 -0.00022149
-0.00573898 0.00599535 0.00686736
15.27827258 -8.83791745 -11.04353987
-0.00045968 0.00039563 -0.00061440
-0.01315260 0.01274370 0.01445009
16.00511495 -7.01648477 -8.79853732
-0.00124193 -0.00016693 0.00009105
0.00587723 0.00680247 -0.00721848
7.46721361 -5.58576587 8.86622449
0.00035479 -0.00035619 -0.00011191
-0.02727521 0.01312231 0.01034122
9.59765417 -5.34467678 6.92734648
-0.00113282 0.00010941 0.00049158
-0.00444627 -0.01385250 0.01998098
-20.90725988 2.15542717 20.74265640
0.00034573 0.00044445 0.00091992
0.00287506 0.01046458 -0.01778323
-22.18373829 0.66231760 22.73619967
0.00050907 -0.00077254 0.00049945
-0.00455080 0.00012453 0.01467007
26.51827117 -2.57492634 -5.84564267
-0.00038504 -0.00071529 -0.00016700
0.00010998 -0.00212349 -0.00224047
25.65319339 -1.34888393 -8.27256452
-0.00088182 -0.00015057 -0.00004616
-0.00171582 0.01290967 -0.00815084
9.15124408 -15.73501738 -7.67688963
0.00068543 0.00012257 0.00016170
-0.00482774 -0.00393284 -0.00174124
8.62379288 -13.04513230 -6.80318164
-0.00008395 0.00023309 -0.00061584
-0.00840709 0.01519717 0.00489291
-5.17240848 -10.70621973 17.88935508
-0.00064507 -0.00037554 -0.00046258
-0.01009371 -0.01207738 -0.01500311
-6.20925210 -10.86849402 15.11273415
-0.00126323 -0.00020358 0.00076916
-0.00646719 0.00908943 -0.00700456
9.92858959 2.86532919 -30.37413901
-0.00015286 -0.00080452 0.00117349
-0.02525181 0.00200620 0.01474167
7.01652169 2.33195563 -30.34465743
-0.00035138 0.00085113 -0.00110318
-0.01930268 -0.01013933 -0.01120407
12.38254032 14.80858292 14.18009500
-0.00018782 -0.00055311 0.00049409
0.01186442 -0.00255632 0.00639248
11.41337683 16.32435475 16.91645107
-0.00089305 0.00044076 0.00014210
0.00187935 -0.02167154 -0.04244121
28.50965563 5.16107499 -4.48370309
0.00106966 -0.00034977 0.00027307
-0.00098670 0.00150565 -0.00306928
26.71860382 7.01844323 -3.07899900
-0.00023754 -0.00009180 0.00034316
-0.01429530 0.00498246 -0.00847277
-9.97956453 4.89963410 6.98731940
-0.00000920 0.00012993 0.00001880
0.00384890 -0.01143103 -0.01314241
-8.62930655 13.18731758 2.53591928
-0.00007364 0.00008364 0.00009073
0.00313079 0.00052501 -0.00444311
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09349001
0.31940683
425.59358389
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3885660235 (a.u.)
total exchange computation time: 2.6878941059 s
-154.3557480446
-931.41103586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3882139639 (a.u.)
total exchange computation time: 2.6929500103 s
-154.3595172054
Anderson extrapolation: theta=1.3444789936 (1.3444789936)
-931.41122994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3876233701 (a.u.)
total exchange computation time: 2.6910569668 s
-154.3655616647
Anderson extrapolation: theta=0.0550366592 (0.0550366592)
-931.41134580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3875005027 (a.u.)
total exchange computation time: 2.6911420822 s
-154.3666927068
Anderson extrapolation: theta=1.8257103665 (1.8257103665)
-931.41135016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3872497377 (a.u.)
total exchange computation time: 2.6899440289 s
-154.3689627002
Anderson extrapolation: theta=0.2284380275 (0.2284380275)
-931.41135452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3871853155 (a.u.)
total exchange computation time: 2.6894760132 s
-154.3695135398
Anderson extrapolation: theta=1.7168445095 (1.7168445095)
-931.41135538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3870941540 (a.u.)
total exchange computation time: 2.6897530556 s
-154.3702602226
Anderson extrapolation: theta=0.3090217373 (0.3090217373)
-931.41135640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3870863582 (a.u.)
total exchange computation time: 2.6889379025 s
-154.3702923242
Anderson extrapolation: theta=1.2593067749 (1.2593067749)
-931.41135669
-27.843018 23.501449 54.813380
558.914304 1032.695669 -412.159447
531.071286 1056.197118 -357.346068
1235.024402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3870921473 (a.u.)
total exchange computation time: 2.6883881092 s
679.10653942
-1084.18105505
89.81083669
-388.86630351
-174.89428234
78.53322029
551.60419304
0.00000000
-931.41135693
3.88106623 -30.96943555 -2.25458467
0.00002869 0.00038511 -0.00016590
0.00458784 0.00007498 0.00388543
-12.01847887 -2.25963380 -9.07706898
0.00036944 0.00006453 0.00001032
-0.00668970 0.00132680 -0.03639897
-37.37218526 2.29108557 -0.15734160
-0.00017229 0.00034948 0.00015616
0.01531482 -0.03310942 0.00739982
-11.32521987 -3.92378429 3.86252952
-0.00031550 -0.00013693 0.00000697
-0.00126001 0.01516070 -0.00013925
4.81393491 -3.81605255 9.66684048
-0.00022748 -0.00004657 -0.00028063
0.00010975 0.01727892 0.00122052
-32.03663984 -1.23172469 -0.74957448
0.00042236 0.00023239 0.00015352
-0.03311066 0.00540615 0.00469776
15.26843875 12.53556234 -14.13097096
-0.00050484 0.00002970 0.00031978
0.04683873 -0.02077316 0.00221622
-7.71759818 5.71111834 2.40004181
-0.00000917 0.00016224 -0.00013026
-0.00390732 0.01738055 0.02395940
7.27715858 12.45411591 -5.51084431
0.00025246 0.00006178 0.00014806
0.01616396 0.02177859 -0.02632747
9.02331085 9.68764837 -19.15559007
-0.00002663 0.00031615 0.00013965
-0.01966017 -0.01121785 -0.00367615
23.07400094 17.58471087 -2.08291007
0.00031055 -0.00036752 -0.00012811
0.03095867 0.01066198 0.00480789
2.14871957 16.95460514 -18.97848843
0.00006213 -0.00022649 -0.00014261
-0.01283265 0.03851441 -0.01465832
14.08834089 -1.58701819 -5.30942503
-0.00011402 0.00020739 0.00001674
0.01506359 0.01565716 0.01409653
-16.13157065 -1.98012115 3.46941291
0.00004500 0.00025873 -0.00033132
-0.02324456 -0.02634289 -0.00044877
-17.10222125 -1.65446092 19.53676352
0.00004432 -0.00012446 -0.00023693
0.03384925 0.00336907 0.02033499
0.15632771 2.22726562 -5.25594256
0.00027419 -0.00006050 0.00009041
-0.00794354 -0.02440605 0.01166766
22.25190848 -7.15080903 -8.97797382
0.00013677 -0.00007220 -0.00000407
-0.02427450 -0.00648223 -0.01246443
-0.43291754 -6.52043149 7.24391998
0.00002122 0.00013909 -0.00004235
-0.00689665 0.01154161 0.01938105
-1.98347123 -1.58452194 -19.23459571
0.00021396 0.00007095 -0.00013199
-0.03897221 0.01621430 -0.01089927
3.47127038 2.32735445 -9.30998942
-0.00017562 -0.00012768 0.00012516
-0.00663203 0.00671817 -0.01749794
-3.59906059 18.20496743 12.04899451
-0.00002360 -0.00031469 0.00027838
-0.00935345 -0.00329659 -0.00644168
-3.53544983 4.96875540 -11.53175039
-0.00032851 0.00013261 0.00067917
0.00365966 -0.00985403 0.02481937
-8.30881534 3.39964210 -8.89010954
0.00034353 -0.00020096 -0.00022010
-0.03816141 -0.03351576 0.04078249
1.65403159 27.16733124 8.37273537
0.00039962 0.00031804 0.00011118
0.00938023 0.01447391 -0.02348014
10.20241081 -6.16290509 -2.02196698
-0.00023378 -0.00003213 -0.00014741
-0.00515414 0.00622781 0.00630706
-8.91585464 0.43360781 5.78984102
0.00033984 0.00023409 0.00005544
-0.01499953 -0.00062698 0.01630985
20.57919699 10.69819646 8.75853704
-0.00015391 -0.00019326 0.00006092
-0.00794134 -0.00350038 0.01617202
-2.97790773 -2.17151835 -27.11142760
0.00029904 -0.00004634 -0.00010148
0.00576951 -0.00264584 0.02436118
-14.25770512 5.96834624 7.28211932
-0.00009085 0.00018301 0.00030776
-0.00120933 0.01790687 -0.00335405
-10.06526275 7.06800750 -2.73472602
0.00021988 0.00020600 0.00023201
0.00841143 0.01155287 -0.02969721
-1.62007336 -15.88121904 24.33903686
-0.00003435 0.00027360 -0.00047528
0.07777056 -0.01082076 -0.01505028
-2.59540793 6.48848345 -6.50236322
0.00007595 -0.00024050 0.00005255
0.02814642 -0.01069375 0.01017568
-20.65801867 31.13050387 4.67039055
0.00067583 -0.00015809 -0.00021108
-0.01365748 -0.00604721 0.00380683
7.57358989 -0.02059390 8.20609381
0.00005779 -0.00003045 -0.00004276
-0.01503657 0.02665158 -0.01957813
5.39999873 11.18519810 -13.88834336
0.00024515 0.00011021 -0.00007030
-0.01776268 0.01508595 -0.02229011
16.05009193 3.40233828 -1.92366123
-0.00042057 -0.00035796 -0.00011641
-0.00391467 -0.00817502 -0.00025707
-3.96725186 13.59525211 -1.41888325
-0.00027797 0.00013921 0.00032690
0.00208347 -0.00808550 0.00543523
4.60081497 12.87221502 3.34798143
-0.00029487 -0.00032671 -0.00002161
-0.00890024 0.02664277 -0.00758873
24.80705681 -11.86777176 -9.43375325
0.00004152 0.00000376 -0.00007071
0.00361491 0.00403758 -0.03863413
16.50644207 -3.97515642 -0.27113769
-0.00024528 -0.00009434 -0.00023638
0.02816417 -0.01925099 0.00142678
12.85202030 7.91313314 9.76108143
0.00019009 -0.00006941 0.00007989
0.00268422 0.01118646 -0.00176460
1.92246912 -13.69139147 17.73364587
-0.00021390 -0.00033731 -0.00005972
-0.00037380 -0.00665616 -0.00178947
-4.40803359 -0.51364355 -14.74080721
-0.00019876 -0.00017429 0.00028256
0.00581953 -0.03087605 0.02967687
14.87522688 -8.36260704 -9.23416235
0.00019582 0.00052958 0.00037490
0.00691969 -0.02673122 -0.02263420
9.03465064 -6.34238721 8.43542786
-0.00028477 -0.00038939 0.00018949
0.03445927 -0.00520167 -0.02866649
-21.32826591 2.26310557 22.49648150
-0.00002865 0.00004499 0.00006164
-0.00460823 -0.01226237 0.01201673
25.84983073 -2.98129780 -7.52514921
0.00008747 -0.00023745 -0.00040188
-0.00456266 -0.01149374 0.00872190
9.89478239 -14.06219241 -7.57488078
-0.00020564 -0.00022391 -0.00010039
0.01479250 -0.00204507 -0.00884159
-6.01450156 -11.84863144 16.63910045
-0.00043632 -0.00044458 0.00013169
0.01296459 -0.00162000 0.03081181
8.26887723 3.38719455 -29.61789968
-0.00004379 0.00019504 0.00027379
0.04383106 0.00140512 -0.00369514
11.07199178 15.74864823 15.09226395
0.00001554 -0.00008079 0.00001931
-0.02623520 0.00651574 0.05039025
28.33807290 6.19128016 -2.99478865
0.00027843 -0.00030465 -0.00013364
0.01377788 -0.00260618 0.00994377
5.30566473 -31.55092466 -3.35977275
0.00006850 -0.00001505 -0.00006346
-0.00739178 0.00739637 0.00522051
4.41793019 -31.21410744 -0.51981301
-0.00021510 -0.00069926 0.00014098
-0.00490109 -0.00342570 -0.00023850
-12.01881692 -4.08234862 -8.73387478
0.00060526 0.00064863 0.00012242
0.00202619 0.00393366 0.01180493
-12.36301740 -2.35508514 -10.90703210
-0.00049927 -0.00009805 -0.00001978
0.00328877 0.01078419 0.01824016
-38.43233606 1.99943165 1.27286463
-0.00046837 0.00033197 -0.00099489
-0.00576220 0.00091350 0.00931960
-37.82061455 3.85487745 -0.93637423
0.00019882 -0.00000270 0.00004158
-0.00779785 0.02762768 -0.01093381
-10.83853238 -5.61462434 3.42026428
-0.00064402 0.00117751 -0.00007274
0.01549602 -0.01070086 -0.00103538
-9.81986491 -2.82326226 3.82413530
-0.00012644 -0.00049814 -0.00059582
-0.01254614 -0.00893537 0.00192551
5.76136396 -2.13329531 9.50562086
-0.00050037 -0.00024264 -0.00096431
-0.01852445 -0.02965542 0.00556922
4.07829815 -3.94092879 11.36321005
0.00008686 0.00112365 -0.00016627
0.01396185 0.00361047 -0.01017381
-33.56190492 -2.24303086 -0.43385492
0.00037773 -0.00004852 -0.00069170
0.01517868 0.00412427 -0.00231512
-32.69210693 0.44961456 -0.45906016
0.00025148 0.00121471 0.00038256
0.00273278 0.00386365 0.00566229
14.84319173 13.27793880 -15.77820617
0.00029218 0.00000850 -0.00162870
0.00170299 -0.00343150 0.00257058
17.10770707 11.87825625 -14.23127928
-0.00070021 0.00063661 0.00066517
-0.04891567 0.01329863 -0.00175724
-8.12858234 7.11247618 1.32551223
-0.00032327 -0.00031737 0.00019891
-0.00541659 0.00654742 0.00052841
-6.91270597 4.60302852 1.23955559
-0.00050693 0.00081843 0.00090242
0.00790879 -0.02267213 -0.01230171
6.12136974 12.70203254 -6.93392749
-0.00018565 0.00015003 -0.00034930
0.00248415 -0.00660462 0.00729020
8.63933576 13.76239084 -5.94824014
0.00042825 0.00049388 -0.00075422
-0.01086989 -0.01878826 0.00146803
9.05338247 9.17060141 -20.93646230
-0.00062573 -0.00011661 0.00025505
0.01113264 0.00265632 0.01702724
10.70570595 10.03335031 -18.53273018
-0.00041067 -0.00039305 -0.00035821
0.00392606 0.00715224 -0.01544929
24.50763426 16.35190895 -2.37176270
0.00038281 -0.00124823 -0.00047326
-0.02444044 0.00584967 -0.00095711
24.01608734 19.21047932 -2.12187686
0.00010883 -0.00047271 0.00002195
-0.00428865 -0.01839039 -0.00243062
2.10143660 17.62966700 -20.70065633
0.00055219 0.00005709 -0.00145399
-0.01195968 -0.00387427 0.00239437
3.42913377 15.71198211 -19.05469176
-0.00011745 -0.00030579 -0.00077267
0.01410687 -0.03626204 0.00340560
13.42143661 -2.44437293 -6.73919873
0.00000326 0.00071141 -0.00004632
-0.01827866 0.00228818 -0.01362012
12.76840625 -0.90733944 -4.21394755
0.00045386 0.00060659 0.00072328
0.00144782 -0.01524105 -0.01091762
-17.40573659 -3.40109956 3.67768451
0.00053790 -0.00009219 -0.00062354
0.00795254 0.03691733 0.00422882
-14.74979675 -2.97847009 2.83513102
-0.00046399 0.00017717 0.00011829
0.01809906 0.00834510 0.00579277
-16.59060375 -0.01269937 20.38332477
0.00038194 -0.00007932 -0.00099375
-0.00690194 -0.00538219 -0.01024217
-15.59607214 -2.62242104 20.09068699
0.00071950 -0.00076618 -0.00067971
-0.02256206 0.00237015 -0.01259228
-0.94317881 0.75195910 -4.86245874
-0.00001182 0.00001188 0.00032023
0.00897769 0.00365626 -0.01193757
-1.05662606 3.55710487 -5.01475022
0.00012477 -0.00086991 0.00102876
-0.00365297 0.01763991 -0.00397369
22.84422291 -8.88617428 -9.07792868
0.00063072 0.00094955 -0.00046759
0.01447112 0.00850297 0.00843627
23.30488287 -5.93164847 -8.16177142
0.00043103 -0.00053134 -0.00052304
0.01776339 -0.00113613 0.00853385
0.71520430 -5.78421243 6.04285793
-0.00005875 -0.00006266 -0.00056395
0.00288368 -0.00590785 -0.01331776
-0.25370897 -5.29272122 8.59944232
-0.00054318 0.00035909 -0.00014892
-0.00418013 -0.01037374 0.00261373
-1.14174607 -3.09461401 -18.90679952
0.00007173 0.00082456 0.00076836
0.02652476 -0.03114407 0.00880267
-3.55747791 -2.27209723 -19.99988938
0.00037531 0.00091390 -0.00026354
0.00895151 0.00981367 -0.00323035
2.90638533 3.28653502 -10.82903959
0.00022276 -0.00076298 -0.00151033
0.00521071 -0.01317589 0.01617725
2.06514091 2.29056842 -8.11051148
-0.00062281 -0.00047813 0.00018276
-0.00084769 0.00499869 0.00205394
-2.35834200 16.83563594 12.32485638
-0.00041616 0.00024034 0.00050864
-0.00248000 0.00749866 0.00359334
-3.83759388 19.01634139 13.67354243
0.00007675 0.00019038 -0.00118667
0.00882538 -0.00017512 0.00363896
-3.79098866 6.04327390 -12.89395565
-0.00084815 0.00070108 -0.00055067
-0.01086187 0.03825476 -0.02581443
-3.43788793 3.40996867 -12.39980800
0.00131532 -0.00041764 -0.00027664
0.00218976 -0.03316662 -0.00496039
-7.48917544 2.23233667 -7.70194802
-0.00039842 -0.00005122 0.00098704
-0.00611923 0.00855487 -0.01331619
-7.09770223 4.13308703 -9.89235739
0.00041366 -0.00055189 0.00051592
0.04019873 0.02177561 -0.02628354
1.84152907 28.31747492 6.85986353
-0.00009423 -0.00045753 -0.00024621
0.00371189 -0.01391377 0.02540924
0.00763837 27.57115007 8.99444045
0.00090892 -0.00040341 -0.00004995
-0.00650547 0.00000485 0.00487663
11.16982452 -6.47352166 -0.50693982
-0.00072945 -0.00036465 0.00069709
0.01174399 -0.00381790 0.00464403
9.03756533 -7.55186091 -1.96051935
-0.00039869 -0.00011095 -0.00044195
-0.00553617 -0.00337876 -0.00604553
-7.33997272 -0.14232900 6.64480126
0.00103867 0.00057183 -0.00040574
0.00253325 0.00515086 -0.00736149
-10.27919007 -0.03369642 6.95082470
-0.00014272 -0.00101183 0.00061533
0.00564042 -0.00093535 -0.00958583
21.13158380 10.36851719 10.52217360
0.00076561 0.00018011 -0.00014522
-0.00465604 0.00921077 -0.02351638
20.53466718 12.53030463 8.49262540
-0.00047182 0.00067459 0.00041017
0.01551832 0.00040005 0.00338105
-1.71819383 -3.03280928 -25.99829910
-0.00043033 0.00079195 0.00008050
-0.01704883 0.00020490 -0.01589616
-4.58798622 -2.22086240 -26.15745908
0.00137728 -0.00024482 -0.00055787
0.01789983 -0.00140081 -0.01084684
-14.83505704 7.17533937 8.54335665
0.00099838 -0.00020089 0.00104174
-0.00160110 -0.00789012 -0.00014906
-14.11476673 7.15312616 5.86363452
-0.00047540 -0.00020020 0.00029626
-0.00494419 -0.00828232 -0.00327298
-11.32277951 6.88334888 -4.10417365
0.00069543 -0.00035984 -0.00000066
0.00392840 -0.00246384 0.01672128
-8.90145343 8.13182327 -3.74958037
-0.00023837 -0.00038740 -0.00024286
-0.00262574 -0.00380047 0.01419345
-1.10369729 -17.50418832 23.55805100
-0.00072417 -0.00075540 -0.00032846
0.00953585 0.00859654 0.00210212
-3.29635461 -16.01949164 24.48819413
-0.00025600 -0.00003595 -0.00014289
-0.09082407 -0.00043540 0.01182831
-3.20456593 5.74542029 -8.00850591
-0.00050974 -0.00022375 0.00048717
-0.00202037 -0.00822493 -0.02162918
-3.93487476 7.52428780 -5.94241008
0.00033539 0.00016128 -0.00053513
-0.02390565 0.02359147 0.01124112
-21.88673169 29.88329415 3.91006377
0.00071183 0.00090411 -0.00054207
0.01027924 0.01058880 -0.01268026
-21.84440560 32.07687708 5.70883146
-0.00011461 0.00112251 -0.00098219
0.00702799 0.00111023 0.00738369
6.89912536 -0.20638127 6.46511730
-0.00056995 0.00030374 -0.00069794
0.01080018 -0.01734871 0.00415204
6.74182965 1.59013830 8.55586974
0.00055302 -0.00001431 0.00016454
0.01010856 -0.00266882 0.00942333
6.75113509 12.24611583 -13.29753778
-0.00051296 0.00031945 0.00016619
0.00687272 0.00729655 0.00187644
4.65944215 12.23984570 -15.31091280
-0.00097592 0.00048794 -0.00083938
0.01557985 -0.02239646 0.03027944
14.62071998 4.54683773 -2.25300792
0.00017461 -0.00023057 -0.00048431
0.00013422 -0.00997899 -0.00903211
15.57375700 1.68255183 -2.41771431
-0.00048659 -0.00131910 0.00066813
0.00195586 0.01783669 0.00287711
-2.38845112 13.37090267 -0.51582029
-0.00053009 0.00005890 0.00060573
-0.00125876 0.00227475 -0.00657282
-5.23767539 13.31347865 -0.11144751
0.00062669 0.00008281 0.00034586
-0.00548590 -0.00866553 0.00283140
3.56179279 11.40492829 3.57860906
0.00110159 0.00051244 0.00029246
-0.01255247 -0.02401103 -0.00063572
6.31242927 12.39919488 3.41889424
0.00035748 0.00044597 0.00050960
0.03014018 -0.01834019 0.00171186
24.72576456 -13.57358363 -8.82248055
0.00074470 0.00040273 -0.00010033
0.00127890 -0.00204433 0.00446552
25.37105950 -11.96593983 -11.27072040
0.00042303 0.00078765 0.00084621
-0.00140348 0.00492678 0.03037203
14.82723434 -3.67297253 -0.79398947
-0.00056611 -0.00070648 -0.00024733
-0.01607352 0.00897248 -0.00318454
16.98159142 -5.70477289 -0.86544159
0.00029854 0.00063396 0.00050470
0.00033638 0.02467940 0.00517288
11.76144560 7.85755077 11.26797166
-0.00073257 -0.00046655 0.00066131
0.00892651 0.01624570 -0.00721171
13.14562309 9.64088701 9.07894008
-0.00069134 -0.00018638 -0.00053588
-0.00442376 -0.01477079 0.01845709
0.39849609 -14.28776776 16.93344975
-0.00072575 0.00075619 0.00006385
-0.00787240 -0.00879911 -0.00086009
1.59598169 -11.94923492 18.03186196
-0.00063260 0.00034401 -0.00000235
0.00368812 0.01499077 0.00677037
-4.48248791 -1.81206717 -13.30800616
0.00023139 -0.00032009 -0.00064467
0.01068096 0.02318891 -0.02904770
-3.30362469 -1.19419772 -16.11498990
0.00136564 0.00028686 -0.00018421
-0.01019267 0.00851059 0.01138311
15.27097430 -8.83159254 -11.05231307
-0.00051435 0.00044984 -0.00054742
-0.01360766 0.01379225 0.01833565
15.98666605 -7.01878021 -8.79739282
-0.00120272 -0.00012146 0.00006709
0.01331764 0.01545281 -0.00451012
7.47169964 -5.59070667 8.86486269
0.00023447 -0.00029977 -0.00006562
-0.03162105 0.01449598 0.01231699
9.58052559 -5.34346004 6.93533251
-0.00114767 0.00005321 0.00057010
-0.00282191 -0.01366211 0.01845444
-20.90198589 2.16241455 20.75591028
0.00036011 0.00048567 0.00083550
0.00416697 0.00971510 -0.02354086
-22.17624168 0.65073332 22.74414091
0.00049445 -0.00076466 0.00055720
-0.00260728 0.00373414 0.01360114
26.51249889 -2.58572083 -5.84821634
-0.00038416 -0.00072282 -0.00017599
0.00032095 -0.00155987 -0.00215962
25.63991351 -1.35074683 -8.27350666
-0.00088828 -0.00009831 -0.00007810
-0.00144561 0.01266838 -0.00748285
9.16137762 -15.73329937 -7.67451748
0.00066078 0.00009785 0.00015440
-0.00723841 -0.00816520 -0.00183115
8.62227604 -13.04117026 -6.81226924
-0.00011876 0.00029439 -0.00059562
-0.00863124 0.01480892 0.00500405
-5.18239390 -10.71222289 17.88195667
-0.00068381 -0.00042211 -0.00051911
-0.00886705 -0.01072032 -0.01266901
-6.22839879 -10.87126919 15.12405684
-0.00129015 -0.00016456 0.00073583
-0.00670589 0.01000968 -0.00931031
9.92552285 2.85332290 -30.35608499
-0.00025359 -0.00079602 0.00123211
-0.02405310 0.00215240 0.01395662
7.01065950 2.34441191 -30.36154843
-0.00042599 0.00081432 -0.00114550
-0.01721847 -0.00788131 -0.00951263
12.38008660 14.80020795 14.18770222
-0.00013717 -0.00056420 0.00051953
0.01293092 -0.00287311 0.00606339
11.40003868 16.33030202 16.91728201
-0.00088372 0.00035128 -0.00003138
0.00268945 -0.02212635 -0.04247672
28.52567035 5.15587451 -4.47970112
0.00106434 -0.00034506 0.00025706
-0.00161961 0.00080300 -0.00476861
26.71460267 7.01721884 -3.07411116
-0.00028784 -0.00007663 0.00030717
-0.01032562 0.00244552 -0.00914753
-9.97969218 4.90155240 6.98756608
-0.00000782 0.00012579 0.00001411
0.00387813 -0.01170291 -0.01307030
-8.63040577 13.18857316 2.53727244
-0.00007290 0.00008377 0.00008972
0.00326817 0.00055138 -0.00418996
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09351084
0.31784610
423.51398978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3911863381 (a.u.)
total exchange computation time: 2.6909029484 s
-154.3628296275
-931.40858281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3908168464 (a.u.)
total exchange computation time: 2.6885671616 s
-154.3667788541
Anderson extrapolation: theta=1.3412523508 (1.3412523508)
-931.40877742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3902099624 (a.u.)
total exchange computation time: 2.6886448860 s
-154.3730045166
Anderson extrapolation: theta=0.0521797516 (0.0521797516)
-931.40889270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3900914369 (a.u.)
total exchange computation time: 2.6904661655 s
-154.3740957921
Anderson extrapolation: theta=1.8413761381 (1.8413761381)
-931.40889678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3898464978 (a.u.)
total exchange computation time: 2.6926929951 s
-154.3763074374
Anderson extrapolation: theta=0.2223520068 (0.2223520068)
-931.40890075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3897838269 (a.u.)
total exchange computation time: 2.6892230511 s
-154.3768374631
Anderson extrapolation: theta=1.7904163220 (1.7904163220)
-931.40890148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3896902952 (a.u.)
total exchange computation time: 2.6921179295 s
-154.3775924683
Anderson extrapolation: theta=0.2997459356 (0.2997459356)
-931.40890234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3896819991 (a.u.)
total exchange computation time: 2.6889519691 s
-154.3776240309
Anderson extrapolation: theta=1.2720508848 (1.2720508848)
-931.40890258
-27.864527 23.526626 54.759255
558.908397 1032.696841 -412.194257
531.043870 1056.223467 -357.435002
1235.060883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3896867596 (a.u.)
total exchange computation time: 2.6898751259 s
679.14570035
-1084.27060705
89.81091544
-388.80460766
-174.90061708
78.58300220
551.60419304
0.00000000
-931.40890276
3.88151425 -30.96365868 -2.25705813
0.00003133 0.00038492 -0.00016326
0.00570356 -0.00078173 0.00635535
-12.01296312 -2.25866073 -9.07705462
0.00036591 0.00006610 -0.00000881
-0.00701198 0.00477986 -0.03797252
-37.37471053 2.29620012 -0.15497071
-0.00016337 0.00033219 0.00015903
0.01936303 -0.03413429 0.00376522
-11.32995726 -3.92577979 3.86263349
-0.00031671 -0.00012683 0.00000745
-0.00345603 0.02412947 0.00201882
4.81052315 -3.81668443 9.66263578
-0.00022750 -0.00003785 -0.00028017
-0.00020279 0.01663726 0.00055434
-32.03043219 -1.22821795 -0.74725357
0.00040480 0.00023691 0.00015617
-0.03515618 0.01215583 0.00561836
15.26104685 12.53592771 -14.12616577
-0.00048170 0.00002032 0.00031866
0.04314602 -0.01570175 -0.00657285
-7.71775076 5.71361906 2.39818033
-0.00001218 0.00017213 -0.00011567
-0.00780494 0.02104679 0.03278627
7.28100790 12.45512657 -5.50872500
0.00026045 0.00007352 0.00013339
0.01487666 0.02390517 -0.03072008
9.02283561 9.69234737 -19.15350952
-0.00003793 0.00031019 0.00013735
-0.02429736 -0.01195026 -0.00527226
23.07877859 17.57923920 -2.08481324
0.00032673 -0.00036288 -0.00012567
0.03194959 0.00737185 0.00468100
2.14960196 16.95135642 -18.98068413
0.00005565 -0.00020594 -0.00015223
-0.01235531 0.04139002 -0.02276557
14.08668872 -1.58384694 -5.30911949
-0.00010607 0.00021573 0.00002449
0.01584462 0.01677189 0.01603118
-16.13098527 -1.97634187 3.46444144
0.00003245 0.00024563 -0.00033126
-0.02555527 -0.02459067 0.00067658
-17.10142593 -1.65631475 19.53328805
0.00006256 -0.00012354 -0.00022639
0.03709128 0.00018930 0.02064323
0.16040997 2.22626402 -5.25454139
0.00027021 -0.00007374 0.00009647
-0.00754641 -0.02710162 0.01190830
22.25386637 -7.15191698 -8.97808300
0.00012360 -0.00007470 -0.00001056
-0.02695312 -0.00325619 -0.01276662
-0.43262580 -6.51830069 7.24335954
0.00001781 0.00014511 -0.00003269
-0.00637852 0.01189559 0.01816679
-1.98041216 -1.58339515 -19.23661753
0.00019396 0.00008072 -0.00013751
-0.03878970 0.02176312 -0.01059110
3.46861050 2.32546517 -9.30817946
-0.00017960 -0.00012381 0.00011546
-0.00883423 0.00832849 -0.02024232
-3.59945068 18.20023431 12.05314542
-0.00002875 -0.00031654 0.00027307
-0.01068037 -0.00389810 -0.01421350
-3.54036336 4.97070649 -11.52146706
-0.00032694 0.00012764 0.00068802
0.00244752 -0.00947697 0.00957316
-8.30380963 3.39649835 -8.89325380
0.00032314 -0.00021897 -0.00019810
-0.04111087 -0.03650391 0.04478661
1.66006213 27.17215769 8.37431246
0.00040563 0.00032479 0.00009892
0.01397803 0.01178622 -0.02418264
10.19888425 -6.16336308 -2.02415385
-0.00023615 -0.00002933 -0.00014327
-0.00408002 0.00466703 0.00981485
-8.91081486 0.43711677 5.79073547
0.00033109 0.00023325 0.00006488
-0.01903744 -0.00266770 0.02042152
20.57685774 10.69528401 8.75951328
-0.00015795 -0.00019349 0.00006901
-0.00776501 0.00261624 0.01527491
-2.97339987 -2.17222360 -27.11285585
0.00030289 -0.00004714 -0.00009038
0.00918817 -0.00047662 0.01878924
-14.25907252 5.97116043 7.28672272
-0.00009138 0.00019166 0.00030631
-0.00087363 0.01572362 -0.00228013
-10.06193206 7.07114206 -2.73136046
0.00022389 0.00021154 0.00021697
0.00719024 0.01001068 -0.02877458
-1.62028862 -15.87715676 24.33184965
0.00000425 0.00026701 -0.00048335
0.07233826 -0.01482027 -0.01633730
-2.59416007 6.48483465 -6.50153573
0.00009043 -0.00024590 0.00005799
0.02813139 -0.01029231 0.01100196
-20.64793395 31.12810917 4.66723897
0.00066826 -0.00015996 -0.00020817
-0.01577906 -0.00121241 0.00753288
7.57439879 -0.02094788 8.20537693
0.00004977 -0.00001719 -0.00005404
-0.01614627 0.02493678 -0.02430604
5.40360749 11.18690937 -13.88948380
0.00023476 0.00011827 -0.00008305
-0.02264790 0.01628510 -0.02731154
16.04376829 3.39693737 -1.92540837
-0.00042229 -0.00036361 -0.00011670
-0.00278464 -0.01378809 -0.00085619
-3.97141339 13.59730904 -1.41395879
-0.00027619 0.00013516 0.00032916
0.00485441 -0.00765239 0.00334483
4.59635765 12.86741709 3.34762793
-0.00029662 -0.00031104 -0.00002589
0.00207798 0.03429951 -0.00902345
24.80769362 -11.86769978 -9.43496285
0.00004315 0.00000681 -0.00008968
0.00271922 0.00780034 -0.03515536
16.50287149 -3.97664585 -0.27467784
-0.00023155 -0.00010292 -0.00023535
0.02521211 -0.01409286 0.00255453
12.85488196 7.91213519 9.76227290
0.00019046 -0.00006388 0.00008029
-0.00123809 0.01028987 0.00335301
1.91925911 -13.69647674 17.73274322
-0.00021459 -0.00033893 -0.00006039
-0.00230649 0.00034601 -0.00083526
-4.41099258 -0.51637700 -14.73645438
-0.00019453 -0.00019017 0.00029593
0.01064565 -0.03089106 0.02233998
14.87819091 -8.35476651 -9.22862612
0.00019748 0.00051323 0.00036171
-0.00047740 -0.03682793 -0.02866380
9.03051200 -6.34824820 8.43815957
-0.00026666 -0.00039244 0.00017486
0.03595970 -0.00665754 -0.02821238
-21.32871339 2.26373312 22.49745239
-0.00003180 0.00003794 0.00006944
-0.00764794 -0.01513499 0.01832183
25.85112523 -2.98490382 -7.53114379
0.00008501 -0.00024324 -0.00039765
-0.00501228 -0.01103730 0.00773946
9.89175483 -14.06555896 -7.57642074
-0.00019744 -0.00022368 -0.00010489
0.01711126 0.00293294 -0.00865708
-6.02099634 -11.85530644 16.64119465
-0.00042999 -0.00044599 0.00014721
0.01165671 -0.00383070 0.02954992
8.26838938 3.39012554 -29.61380704
-0.00002253 0.00019503 0.00027164
0.03885471 -0.00144339 -0.00468295
11.07212367 15.74746156 15.09274791
0.00000161 -0.00007734 0.00004509
-0.02792443 0.00687928 0.04986635
28.34230251 6.18670030 -2.99675488
0.00028454 -0.00030511 -0.00012802
0.00996924 0.00083151 0.01189795
5.30646574 -31.55092372 -3.36056475
0.00003797 0.00001563 -0.00004238
-0.00755227 0.00762168 0.00509953
4.41455349 -31.22470133 -0.51770558
-0.00023691 -0.00071208 0.00013491
-0.00577267 -0.00285120 -0.00273390
-12.00967600 -4.07249863 -8.73167672
0.00061338 0.00065727 0.00017153
0.00194830 0.00029770 0.01223162
-12.37040564 -2.35622541 -10.90676988
-0.00048514 -0.00005383 0.00005682
0.00362582 0.01086043 0.01925757
-38.43953814 2.00443925 1.25822680
-0.00049912 0.00033350 -0.00094714
-0.00928972 -0.00016630 0.01405644
-37.81787116 3.85568362 -0.93608563
0.00016607 0.00011407 -0.00000534
-0.00823435 0.02953057 -0.01203419
-10.84771786 -5.59728962 3.41914150
-0.00057639 0.00111425 -0.00008151
0.01760920 -0.02026495 -0.00326005
-9.82214594 -2.83100818 3.81525707
-0.00017756 -0.00053295 -0.00058741
-0.01247973 -0.00810637 0.00218742
5.75329075 -2.13784369 9.49132682
-0.00057423 -0.00036113 -0.00094164
-0.01763225 -0.02834331 0.00552948
4.08002889 -3.92396335 11.36040429
0.00014288 0.00113704 -0.00020624
0.01346032 0.00294319 -0.00939299
-33.55577389 -2.24363232 -0.44430134
0.00043916 -0.00003022 -0.00070086
0.01489240 0.00483739 -0.00216750
-32.68825093 0.46795364 -0.45314831
0.00026686 0.00121540 0.00040363
0.00479278 -0.00352716 0.00465282
14.84762657 13.27796107 -15.80255792
0.00030150 -0.00001275 -0.00160080
0.00286113 -0.00696977 0.01108614
17.09570492 11.88821284 -14.22135565
-0.00089518 0.00068813 0.00065842
-0.04651904 0.01192477 -0.00154254
-8.13359743 7.10791620 1.32851208
-0.00034719 -0.00028445 0.00019637
-0.00629268 0.00956782 -0.00176990
-6.92006753 4.61461017 1.25271486
-0.00046506 0.00071229 0.00083844
0.01258469 -0.02928439 -0.01901470
6.11866117 12.70408058 -6.93894354
-0.00017019 0.00012160 -0.00031233
0.00508069 -0.00731367 0.01080378
8.64542643 13.76922337 -5.95950849
0.00038128 0.00041420 -0.00074640
-0.01212047 -0.02021636 0.00236292
9.04433770 9.16893363 -20.93211476
-0.00058016 -0.00010575 0.00032413
0.01117303 0.00266116 0.01678702
10.69966619 10.02767370 -18.53857673
-0.00038536 -0.00036200 -0.00041764
0.00846344 0.00804808 -0.01364035
24.51262745 16.33336470 -2.37889095
0.00027922 -0.00121933 -0.00047573
-0.02626466 0.00830079 -0.00025142
24.01758833 19.20282511 -2.12162210
0.00009332 -0.00054598 0.00001131
-0.00330206 -0.01747713 -0.00277763
2.10935296 17.63040463 -20.72239278
0.00050236 0.00003537 -0.00142853
-0.01243067 -0.00675972 0.01006605
3.42780429 15.70628400 -19.06617747
-0.00006066 -0.00045333 -0.00075784
0.01369142 -0.03595560 0.00385384
13.42092544 -2.43363168 -6.74031093
-0.00007342 0.00071965 -0.00010409
-0.01925827 0.00174556 -0.01465744
12.77525851 -0.89870757 -4.20343295
0.00046032 0.00054298 0.00067678
0.00171373 -0.01589920 -0.01184261
-17.39742434 -3.40135115 3.66846105
0.00056724 0.00005791 -0.00060519
0.00640807 0.03655674 0.00475106
-14.75620194 -2.97555676 2.83708287
-0.00038272 0.00020827 0.00013876
0.02168267 0.00687886 0.00423003
-16.58508619 -0.01405410 20.36810462
0.00035445 -0.00010066 -0.00103408
-0.00655518 -0.00506630 -0.00949647
-15.58597107 -2.63384104 20.08010546
0.00062011 -0.00075080 -0.00073298
-0.02608935 0.00515658 -0.01348506
-0.94308106 0.75224929 -4.85802112
0.00002696 0.00002677 0.00027072
0.01000908 0.00363177 -0.01229790
-1.05486648 3.54459668 -4.99944062
0.00010726 -0.00079231 0.00101262
-0.00491710 0.02034759 -0.00392630
22.85412708 -8.87167045 -9.08468404
0.00069231 0.00097292 -0.00043429
0.01568165 0.00293480 0.00786543
23.31189266 -5.93965340 -8.16935545
0.00050624 -0.00053128 -0.00048622
0.01905210 0.00116489 0.00948569
0.71441147 -5.78533336 6.03399058
-0.00004893 -0.00008768 -0.00061504
0.00192324 -0.00633839 -0.01169220
-0.26198481 -5.28765277 8.59728863
-0.00055934 0.00031689 -0.00013902
-0.00372946 -0.01028235 0.00223197
-1.13985735 -3.08319998 -18.89500444
0.00018342 0.00068910 0.00080550
0.02814948 -0.03516449 0.00937985
-3.55157396 -2.25808794 -20.00394148
0.00040848 0.00095057 -0.00027807
0.00728559 0.00813402 -0.00388062
2.90988646 3.27468654 -10.85119888
0.00024526 -0.00082094 -0.00143447
0.00580290 -0.01519439 0.02095973
2.05577274 2.28354966 -8.10770716
-0.00062284 -0.00045619 0.00018677
0.00083417 0.00573989 -0.00008848
-2.36466035 16.83947085 12.33259609
-0.00042128 0.00026526 0.00052436
-0.00002923 0.00469927 0.00409965
-3.83617222 19.01919166 13.65585387
0.00011035 0.00019673 -0.00115756
0.00762247 0.00328720 0.01061111
-3.80404373 6.05496230 -12.90300677
-0.00088836 0.00083914 -0.00063406
-0.00882424 0.02932769 -0.01500372
-3.41809104 3.40268771 -12.40410959
0.00132288 -0.00053588 -0.00028798
0.00151225 -0.02470961 -0.00059264
-7.49533928 2.23183047 -7.68755040
-0.00042447 -0.00001340 0.00092905
-0.00663361 0.00995768 -0.01507300
-7.09026546 4.12547595 -9.88542399
0.00058495 -0.00045973 0.00040404
0.04364835 0.02333881 -0.02848455
1.84022937 28.31018558 6.85694901
-0.00007847 -0.00051187 -0.00014461
0.00400008 -0.01268297 0.02432455
0.02107286 27.56509901 8.99384066
0.00087189 -0.00040044 -0.00002611
-0.01161968 0.00145014 0.00679331
11.15924261 -6.47910846 -0.49634109
-0.00068516 -0.00037892 0.00070954
0.00993589 -0.00316540 0.00145009
9.03141530 -7.55362867 -1.96733380
-0.00041978 -0.00012274 -0.00046715
-0.00478766 -0.00239172 -0.00629354
-7.32431505 -0.13359368 6.63848955
0.00104561 0.00059295 -0.00043594
0.00086479 0.00518434 -0.00742238
-10.28115804 -0.04890252 6.95976090
-0.00010847 -0.00101150 0.00056782
0.01112656 0.00109414 -0.01367021
21.14292524 10.37150103 10.51927466
0.00074636 0.00021664 -0.00024043
-0.00476648 0.00867213 -0.02309035
20.52806538 12.54043568 8.49888150
-0.00040833 0.00066477 0.00042459
0.01556013 -0.00520364 0.00367774
-1.72517114 -3.02092381 -25.99757868
-0.00049216 0.00078804 0.00002007
-0.01321711 -0.00211838 -0.01368505
-4.56677854 -2.22457767 -26.16615944
0.00143510 -0.00025005 -0.00059484
0.01040496 -0.00115644 -0.00725364
-14.82013039 7.17208430 8.55897814
0.00099140 -0.00023165 0.00104072
-0.00181548 -0.00717068 -0.00035034
-14.12204918 7.14986931 5.86797807
-0.00049587 -0.00023096 0.00028137
-0.00507548 -0.00677425 -0.00401493
-11.31222770 6.87787578 -4.10367113
0.00070886 -0.00037038 0.00006729
0.00264684 -0.00269458 0.01653758
-8.90510945 8.12589582 -3.75278836
-0.00024447 -0.00039914 -0.00018648
-0.00036201 -0.00194446 0.01340566
-1.11426771 -17.51525588 23.55318856
-0.00068582 -0.00071305 -0.00031688
0.00924123 0.01213442 0.00356304
-3.30297768 -16.02004419 24.48641318
-0.00061528 -0.00003614 -0.00009491
-0.08504959 0.00034100 0.01166129
-3.21227399 5.74181199 -8.00186119
-0.00051783 -0.00025891 0.00039652
-0.00193670 -0.00898438 -0.02274452
-3.93057645 7.52742993 -5.95009260
0.00023722 0.00025870 -0.00048809
-0.02415036 0.02409662 0.01178398
-21.87573926 29.89718027 3.90154419
0.00075067 0.00094265 -0.00059543
0.00873407 0.00827505 -0.01344057
-21.84590932 32.09374881 5.69432490
-0.00007893 0.00112084 -0.00095720
0.01043381 -0.00193106 0.00484779
6.89090706 -0.20235671 6.45477542
-0.00052216 0.00023395 -0.00067201
0.01259324 -0.01681825 0.00854060
6.75043476 1.58984184 8.55862667
0.00059315 -0.00002297 0.00020334
0.00953238 -0.00156723 0.00956529
6.74365130 12.25113119 -13.29498737
-0.00048111 0.00035302 0.00017465
0.00871646 0.00913555 0.00226511
4.64528077 12.24647857 -15.32257561
-0.00090591 0.00039051 -0.00070567
0.01869251 -0.02530052 0.03517241
14.62334317 4.54307341 -2.26054942
0.00017156 -0.00026970 -0.00052156
-0.00162478 -0.00917405 -0.00920097
15.56651815 1.66331197 -2.40760426
-0.00047684 -0.00123660 0.00068173
0.00281697 0.02254625 0.00378231
-2.39644098 13.37185589 -0.50693574
-0.00053295 0.00006818 0.00057822
-0.00014143 0.00226810 -0.00689594
-5.22844310 13.31445526 -0.10617281
0.00059700 0.00004658 0.00036208
-0.00904782 -0.00906929 0.00510667
3.57793205 11.41187905 3.58297655
0.00103766 0.00039577 0.00029222
-0.01874424 -0.03309680 0.00051568
6.31871513 12.40532238 3.42659066
0.00047163 0.00037368 0.00051633
0.02573640 -0.01704352 0.00158433
24.73697425 -13.56760531 -8.82384867
0.00074964 0.00038804 -0.00008015
0.00114003 -0.00514677 0.00541479
25.37736201 -11.95397405 -11.25709660
0.00041948 0.00080599 0.00096113
-0.00033874 0.00405051 0.02588472
14.81825019 -3.68329474 -0.79779694
-0.00062697 -0.00067099 -0.00025928
-0.01371780 0.00839709 -0.00266960
16.98607982 -5.69450721 -0.85771253
0.00030137 0.00072548 0.00052241
0.00105118 0.02012174 0.00349293
11.75073058 7.85105030 11.27767036
-0.00068830 -0.00039918 0.00062131
0.01274605 0.01673598 -0.01236973
13.13511750 9.63763876 9.07146740
-0.00070919 -0.00024567 -0.00045993
-0.00431744 -0.01425451 0.01872177
0.38736858 -14.27669461 16.93438111
-0.00075719 0.00071803 0.00005988
-0.00751923 -0.00987817 -0.00108064
1.58660573 -11.94361546 18.03203415
-0.00061371 0.00039303 0.00002378
0.00555879 0.00900693 0.00602384
-4.47868978 -1.81615794 -13.31856626
0.00027373 -0.00022942 -0.00075731
0.01004401 0.02119728 -0.02609164
-3.28345240 -1.18963409 -16.11740424
0.00131558 0.00032609 -0.00012966
-0.01431248 0.01069248 0.01532069
15.26284205 -8.82442236 -11.05996256
-0.00057045 0.00050786 -0.00046597
-0.01385349 0.01461090 0.02153635
15.96903333 -7.02012861 -8.79652472
-0.00113310 -0.00004018 0.00005429
0.02076373 0.02433429 -0.00175511
7.47424774 -5.59475907 8.86425575
0.00009878 -0.00023884 -0.00001194
-0.03479839 0.01533302 0.01396215
9.56322406 -5.34308060 6.94444954
-0.00115555 -0.00000146 0.00064128
-0.00103541 -0.01309956 0.01638639
-20.89645653 2.16999732 20.76772144
0.00037945 0.00052378 0.00072898
0.00529958 0.00894028 -0.02860442
-22.16890486 0.63937789 22.75291571
0.00048760 -0.00074222 0.00061039
-0.00074473 0.00724908 0.01243286
26.50674628 -2.59661092 -5.85092237
-0.00038240 -0.00072799 -0.00018451
0.00054103 -0.00097224 -0.00200894
25.62654504 -1.35183334 -8.27490739
-0.00089347 -0.00004817 -0.00010677
-0.00109813 0.01187601 -0.00655332
9.17106754 -15.73208178 -7.67225756
0.00062648 0.00005615 0.00014683
-0.00955237 -0.01224976 -0.00187614
8.62023022 -13.03630063 -6.82105017
-0.00015353 0.00035326 -0.00057549
-0.00838929 0.01400844 0.00484630
-5.19292274 -10.71888305 17.87378183
-0.00071689 -0.00046230 -0.00056518
-0.00732609 -0.00895200 -0.00988306
-6.24795646 -10.87343090 15.13480894
-0.00131795 -0.00012245 0.00069408
-0.00690317 0.01060352 -0.01112375
9.92098198 2.84144851 -30.33717562
-0.00034810 -0.00078745 0.00128698
-0.02221005 0.00204489 0.01289972
7.00374205 2.35638517 -30.37902242
-0.00049078 0.00078768 -0.00117999
-0.01449589 -0.00515718 -0.00736869
12.37842537 14.79165691 14.19568104
-0.00008282 -0.00057618 0.00054390
0.01367372 -0.00298935 0.00586567
11.38686535 16.33489325 16.91550971
-0.00087083 0.00026066 -0.00020313
0.00361630 -0.02223443 -0.04159425
28.54158581 5.15072323 -4.47599141
0.00105652 -0.00034312 0.00023434
-0.00220762 0.00014637 -0.00634880
26.70996870 7.01614432 -3.06978394
-0.00032153 -0.00007195 0.00026846
-0.00616630 -0.00015636 -0.00980038
-9.97979900 4.90340787 6.98774259
-0.00000642 0.00012155 0.00000944
0.00389774 -0.01197726 -0.01299241
-8.63149361 13.18983066 2.53861102
-0.00007213 0.00008390 0.00008879
0.00340019 0.00058259 -0.00389982
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09352474
0.31537802
420.22540332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3938492779 (a.u.)
total exchange computation time: 2.6886489391 s
-154.3688243226
-931.40551872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3934378794 (a.u.)
total exchange computation time: 2.6885299683 s
-154.3731114493
Anderson extrapolation: theta=1.3399556456 (1.3399556456)
-931.40571956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3927762508 (a.u.)
total exchange computation time: 2.6900761127 s
-154.3797410834
Anderson extrapolation: theta=0.0517341926 (0.0517341926)
-931.40583849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3926558662 (a.u.)
total exchange computation time: 2.6891980171 s
-154.3808194473
Anderson extrapolation: theta=1.8412969926 (1.8412969926)
-931.40584268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3924077463 (a.u.)
total exchange computation time: 2.6902921200 s
-154.3829969409
Anderson extrapolation: theta=0.2224760754 (0.2224760754)
-931.40584669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3923444631 (a.u.)
total exchange computation time: 2.6898138523 s
-154.3835141158
Anderson extrapolation: theta=1.8010481899 (1.8010481899)
-931.40584742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3922493998 (a.u.)
total exchange computation time: 2.6900100708 s
-154.3842506584
Anderson extrapolation: theta=0.2989490397 (0.2989490397)
-931.40584825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3922410127 (a.u.)
total exchange computation time: 2.6888501644 s
-154.3842753592
Anderson extrapolation: theta=1.2642768651 (1.2642768651)
-931.40584846
-27.892929 23.550177 54.705092
558.901184 1032.698009 -412.228458
531.008256 1056.248186 -357.523366
1235.092286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3922460393 (a.u.)
total exchange computation time: 2.6842989922 s
679.18612161
-1084.36156131
89.81048832
-388.74171936
-174.90693182
78.63336770
551.60419304
0.00000000
-931.40584861
3.88200628 -30.95788784 -2.25948257
0.00003450 0.00038430 -0.00015937
0.00662032 -0.00164531 0.00877622
-12.00750147 -2.25765078 -9.07733321
0.00036225 0.00006946 -0.00002857
-0.00723506 0.00828114 -0.03888508
-37.37708642 2.30105133 -0.15257078
-0.00015249 0.00031463 0.00016000
0.02293683 -0.03415343 0.00002278
-11.33472130 -3.92758914 3.86275303
-0.00031911 -0.00011225 0.00000904
-0.00587161 0.03256516 0.00415918
4.80710982 -3.81718796 9.65843535
-0.00022774 -0.00002961 -0.00028011
-0.00070109 0.01539594 -0.00031413
-32.02449575 -1.22461743 -0.74488932
0.00038636 0.00024481 0.00015926
-0.03655098 0.01858605 0.00637622
15.25398781 12.53617194 -14.12141129
-0.00046064 0.00001352 0.00031324
0.03873928 -0.01075666 -0.01449429
-7.71796356 5.71628214 2.39657178
-0.00001710 0.00018382 -0.00009670
-0.01134069 0.02440913 0.04097475
7.28497198 12.45632166 -5.50684268
0.00026776 0.00008624 0.00011659
0.01354687 0.02555848 -0.03461316
9.02217293 9.69695418 -19.15146964
-0.00005157 0.00030391 0.00013434
-0.02874983 -0.01249390 -0.00640373
23.08380273 17.57382439 -2.08668030
0.00034322 -0.00035996 -0.00012329
0.03219804 0.00400329 0.00460636
2.15038904 16.94842700 -18.98305546
0.00004966 -0.00018425 -0.00016580
-0.01094110 0.04294599 -0.02997473
14.08515878 -1.58054631 -5.30869028
-0.00009774 0.00022450 0.00003301
0.01654171 0.01733405 0.01711087
-16.13059703 -1.97275231 3.45947520
0.00001891 0.00023356 -0.00033066
-0.02712187 -0.02232913 0.00165236
-17.10034446 -1.65816712 19.52997183
0.00008225 -0.00012421 -0.00021581
0.03948901 -0.00279425 0.02047976
0.16443401 2.22505334 -5.25304835
0.00026640 -0.00008817 0.00010265
-0.00727097 -0.02901314 0.01210204
22.25561633 -7.15305005 -8.97829068
0.00010915 -0.00007542 -0.00001710
-0.02922829 0.00045783 -0.01267420
-0.43238326 -6.51607812 7.24293925
0.00001469 0.00015128 -0.00002374
-0.00575874 0.01210722 0.01662867
-1.97765235 -1.58210046 -19.23872105
0.00017440 0.00009292 -0.00014275
-0.03727832 0.02571196 -0.00979137
3.46588247 2.32364014 -9.30652566
-0.00018464 -0.00011923 0.00010448
-0.01075845 0.00947405 -0.02243717
-3.59992316 18.19547112 12.05718668
-0.00003462 -0.00031871 0.00026377
-0.01213209 -0.00454263 -0.02194946
-3.54525800 4.97258446 -11.51110986
-0.00032595 0.00012281 0.00068897
0.00140382 -0.00930522 -0.00588138
-8.29912108 3.39307299 -8.89605255
0.00030169 -0.00023810 -0.00017457
-0.04230272 -0.03787528 0.04669973
1.66620050 27.17707508 8.37570299
0.00041390 0.00033010 0.00008648
0.01818631 0.00884779 -0.02419133
10.19532622 -6.16378507 -2.02626500
-0.00023799 -0.00002737 -0.00013730
-0.00306246 0.00295226 0.01340483
-8.90592195 0.44060516 5.79178747
0.00032043 0.00023139 0.00007629
-0.02243180 -0.00454240 0.02394487
20.57445858 10.69239174 8.76060736
-0.00016193 -0.00019064 0.00007652
-0.00773317 0.00845814 0.01393474
-2.96882112 -2.17293252 -27.11413915
0.00030858 -0.00004676 -0.00008239
0.01293987 0.00195338 0.01229351
-14.26044667 5.97409593 7.29130852
-0.00009174 0.00019914 0.00030541
-0.00051269 0.01338950 -0.00119119
-10.05854590 7.07435384 -2.72821689
0.00022730 0.00021626 0.00020255
0.00603591 0.00830860 -0.02731590
-1.61994581 -15.87320881 24.32453640
0.00003892 0.00025838 -0.00049190
0.06248280 -0.01873638 -0.01690470
-2.59269518 6.48110644 -6.50062337
0.00010456 -0.00025099 0.00006379
0.02684125 -0.00949415 0.01152110
-20.63797095 31.12570511 4.66414551
0.00065970 -0.00015931 -0.00020338
-0.01750357 0.00374481 0.01108893
7.57508312 -0.02110947 8.20447254
0.00004127 -0.00000485 -0.00006763
-0.01693493 0.02304376 -0.02852694
5.40704153 11.18874628 -13.89083493
0.00022209 0.00012684 -0.00009809
-0.02661865 0.01702347 -0.03117913
16.03742316 3.39143008 -1.92716211
-0.00042339 -0.00037198 -0.00011722
-0.00149591 -0.01876084 -0.00116547
-3.97553748 13.59930693 -1.40900853
-0.00027305 0.00013133 0.00033034
0.00732713 -0.00724452 0.00126731
4.59191636 12.86288378 3.34720483
-0.00029260 -0.00029161 -0.00003089
0.01355247 0.04127622 -0.01042560
24.80835140 -11.86756761 -9.43644367
0.00004424 0.00001171 -0.00010663
0.00150201 0.01128279 -0.03074935
16.49949542 -3.97824400 -0.27819828
-0.00021957 -0.00010864 -0.00023375
0.02140464 -0.00815383 0.00367773
12.85773407 7.91121661 9.76349025
0.00018890 -0.00005891 0.00008322
-0.00480874 0.00904485 0.00803312
1.91603131 -13.70155935 17.73183412
-0.00021634 -0.00033699 -0.00006062
-0.00448336 0.00718830 -0.00003935
-4.41386944 -0.51934877 -14.73192920
-0.00018790 -0.00020580 0.00030551
0.01514627 -0.02986532 0.01489216
14.88115126 -8.34721009 -9.22331102
0.00019539 0.00049181 0.00034563
-0.00765353 -0.04646292 -0.03385378
9.02665078 -6.35416055 8.44067363
-0.00024818 -0.00039618 0.00016071
0.03592215 -0.00786286 -0.02681167
-21.32921987 2.26424390 22.49856462
-0.00003641 0.00002947 0.00008024
-0.01029246 -0.01780666 0.02368884
25.85238107 -2.98859500 -7.53707867
0.00008230 -0.00024868 -0.00039400
-0.00553736 -0.01010314 0.00646071
9.88885929 -14.06890289 -7.57802749
-0.00018819 -0.00022088 -0.00010925
0.01882734 0.00798189 -0.00829268
-6.02740119 -11.86201100 16.64351682
-0.00042442 -0.00044855 0.00016183
0.01000172 -0.00612383 0.02731254
8.26820128 3.39304539 -29.60975053
-0.00000411 0.00019354 0.00026894
0.03277845 -0.00434224 -0.00580168
11.07204013 15.74632797 15.09361658
-0.00001311 -0.00007385 0.00007030
-0.02930869 0.00668663 0.04818370
28.34660903 6.18212685 -2.99862933
0.00028867 -0.00030383 -0.00012145
0.00611418 0.00414883 0.01365523
5.30680390 -31.55045567 -3.36104422
0.00000706 0.00004709 -0.00002195
-0.00757827 0.00777434 0.00490121
4.41082300 -31.23546995 -0.51576569
-0.00026214 -0.00072249 0.00011892
-0.00658130 -0.00224276 -0.00509504
-12.00041567 -4.06263038 -8.72872903
0.00062118 0.00065106 0.00022228
0.00187101 -0.00334174 0.01261183
-12.37757167 -2.35670009 -10.90532743
-0.00046985 -0.00000945 0.00013631
0.00385955 0.01086319 0.01965395
-38.44730955 2.00943666 1.24445043
-0.00054389 0.00033072 -0.00088089
-0.01262756 -0.00119607 0.01837396
-37.81563242 3.85829961 -0.93653457
0.00013214 0.00023649 -0.00005574
-0.00837338 0.03039153 -0.01263342
-10.85582414 -5.58119686 3.41781893
-0.00050034 0.00101240 -0.00009936
0.01961741 -0.02959054 -0.00547771
-9.82519181 -2.83925091 3.80651290
-0.00022772 -0.00056383 -0.00057798
-0.01207216 -0.00700896 0.00242876
5.74413693 -2.14412912 9.47737166
-0.00064373 -0.00047297 -0.00091936
-0.01638872 -0.02640218 0.00537670
4.08258457 -3.90681753 11.35702288
0.00019654 0.00114762 -0.00024237
0.01280389 0.00223688 -0.00829289
-33.54873016 -2.24393732 -0.45488060
0.00049860 -0.00000951 -0.00070926
0.01420362 0.00529995 -0.00194559
-32.68410120 0.48607655 -0.44695130
0.00029016 0.00118697 0.00042071
0.00661396 -0.01038831 0.00370806
14.85223675 13.27755620 -15.82623024
0.00031477 -0.00004746 -0.00153987
0.00363629 -0.01002037 0.01873896
17.08085180 11.89890026 -14.21152655
-0.00107812 0.00073341 0.00065247
-0.04303255 0.01023718 -0.00137413
-8.13899817 7.10394258 1.33140347
-0.00037455 -0.00023972 0.00018466
-0.00709928 0.01232965 -0.00396378
-6.92665782 4.62439709 1.26470879
-0.00040490 0.00058022 0.00074804
0.01686695 -0.03536486 -0.02523512
6.11626398 12.70568039 -6.94329747
-0.00014479 0.00009045 -0.00026188
0.00735241 -0.00793412 0.01389382
8.65077429 13.77481692 -5.97063204
0.00032992 0.00032943 -0.00073508
-0.01302201 -0.02128083 0.00317872
9.03597768 9.16742894 -20.92673840
-0.00053461 -0.00009516 0.00039123
0.01112223 0.00252426 0.01605844
10.69414512 10.02249033 -18.54525925
-0.00034173 -0.00032737 -0.00046963
0.01289556 0.00890151 -0.01181036
24.51601097 16.31532918 -2.38603461
0.00016923 -0.00118117 -0.00047545
-0.02757711 0.01037674 0.00038834
24.01888695 19.19409979 -2.12153757
0.00008231 -0.00061454 -0.00000074
-0.00208594 -0.01608091 -0.00312272
2.11650749 17.63072799 -20.74351231
0.00045063 0.00000256 -0.00137356
-0.01289427 -0.00929908 0.01684351
3.42731390 15.69838231 -19.07742700
-0.00000748 -0.00059764 -0.00074111
0.01234081 -0.03468861 0.00433406
13.41923399 -2.42278345 -6.74232143
-0.00015341 0.00072641 -0.00016493
-0.01989923 0.00156362 -0.01512219
12.78221581 -0.89105010 -4.19364413
0.00046736 0.00047707 0.00062705
0.00173463 -0.01636174 -0.01250001
-17.38871937 -3.39936232 3.65952877
0.00058945 0.00020519 -0.00058471
0.00446167 0.03554021 0.00527333
-14.76127827 -2.97222186 2.83929397
-0.00028744 0.00023356 0.00015315
0.02495751 0.00550071 0.00281012
-16.57997037 -0.01571931 20.35230247
0.00032858 -0.00012028 -0.00107109
-0.00610890 -0.00453663 -0.00862371
-15.57746891 -2.64494501 20.06869749
0.00050785 -0.00072493 -0.00078923
-0.02886171 0.00750725 -0.01404941
-0.94236988 0.75276206 -4.85433719
0.00006948 0.00004107 0.00021994
0.01080277 0.00337227 -0.01255859
-1.05340825 3.53333553 -4.98437165
0.00008536 -0.00070474 0.00099658
-0.00580247 0.02252105 -0.00392713
22.86499231 -8.85698676 -9.09095737
0.00075891 0.00097323 -0.00040353
0.01691767 -0.00278202 0.00718938
23.32007008 -5.94758695 -8.17635814
0.00058585 -0.00052253 -0.00044615
0.01991823 0.00311782 0.01013130
0.71373650 -5.78684274 6.02440666
-0.00004330 -0.00011453 -0.00065913
0.00083118 -0.00680702 -0.00988667
-0.27048922 -5.28321448 8.59527173
-0.00057356 0.00027541 -0.00013044
-0.00323196 -0.01002352 0.00196745
-1.13624346 -3.07394106 -18.88263451
0.00029958 0.00054083 0.00084422
0.02870996 -0.03741552 0.00957598
-3.54522350 -2.24358015 -20.00823141
0.00043435 0.00098004 -0.00029546
0.00537827 0.00629351 -0.00463208
2.91374323 3.26190686 -10.87207364
0.00026969 -0.00088616 -0.00134036
0.00615552 -0.01673292 0.02510584
2.04645569 2.27688268 -8.10490825
-0.00061605 -0.00043130 0.00018224
0.00249086 0.00644660 -0.00213245
-2.37098049 16.84359376 12.34058705
-0.00041610 0.00027843 0.00054219
0.00256748 0.00174651 0.00462857
-3.83428341 19.02224339 13.63881562
0.00013900 0.00021760 -0.00110002
0.00640067 0.00692516 0.01755562
-3.81763960 6.06844809 -12.91297742
-0.00092000 0.00094048 -0.00067317
-0.00666143 0.02027747 -0.00413939
-3.39820146 3.39389239 -12.40844750
0.00132708 -0.00061889 -0.00028125
0.00054164 -0.01592474 0.00388751
-7.50190967 2.23193453 -7.67407654
-0.00045205 0.00002933 0.00086465
-0.00686279 0.01096354 -0.01645288
-7.08015365 4.11929522 -9.88023629
0.00076620 -0.00036368 0.00028661
0.04507481 0.02367778 -0.02899443
1.83917482 28.30211894 6.85552524
-0.00006149 -0.00056045 -0.00004861
0.00431370 -0.01110142 0.02266859
0.03379522 27.55913683 8.99365721
0.00081471 -0.00039184 0.00000528
-0.01637112 0.00276087 0.00856980
11.14926963 -6.48488926 -0.48565349
-0.00064843 -0.00039051 0.00070867
0.00804363 -0.00250571 -0.00187796
9.02497185 -7.55554300 -1.97453396
-0.00043755 -0.00013024 -0.00049324
-0.00391007 -0.00128058 -0.00647801
-7.30860438 -0.12454062 6.63172294
0.00104571 0.00061410 -0.00046627
-0.00081791 0.00516962 -0.00742253
-10.28244410 -0.06404156 6.96785930
-0.00005309 -0.00100314 0.00050472
0.01598053 0.00300206 -0.01721977
21.15397457 10.37501636 10.51496059
0.00072706 0.00025069 -0.00033273
-0.00467917 0.00799817 -0.02209122
20.52241720 12.55024783 8.50536299
-0.00034479 0.00063282 0.00043994
0.01554248 -0.01043898 0.00383829
-1.73295848 -3.00916817 -25.99769697
-0.00053732 0.00077413 -0.00003041
-0.00889350 -0.00468747 -0.01102601
-4.54493317 -2.22836382 -26.17530435
0.00146059 -0.00025434 -0.00061622
0.00207187 -0.00094368 -0.00321166
-14.80531500 7.16838976 8.57457815
0.00098354 -0.00025936 0.00103889
-0.00203185 -0.00639270 -0.00054431
-14.12964269 7.14619729 5.87207556
-0.00051687 -0.00025539 0.00026337
-0.00520683 -0.00518209 -0.00479637
-11.30151367 6.87223754 -4.10215509
0.00071658 -0.00038193 0.00013385
0.00113139 -0.00296003 0.01604567
-8.90878766 8.11984920 -3.75517477
-0.00024099 -0.00040294 -0.00013381
0.00206605 0.00008125 0.01237680
-1.12427176 -17.52557976 23.54854448
-0.00064860 -0.00065703 -0.00029974
0.00897498 0.01528908 0.00483022
-3.31481311 -16.02057585 24.48534691
-0.00094199 -0.00003254 -0.00004862
-0.07487415 0.00141966 0.01099787
-3.22010075 5.73765307 -7.99661040
-0.00052502 -0.00029630 0.00030296
-0.00158477 -0.00931820 -0.02305198
-3.92775823 7.53204884 -5.95705292
0.00014013 0.00035651 -0.00043986
-0.02337284 0.02378314 0.01182638
-21.86421155 29.91157354 3.89220089
0.00078277 0.00097144 -0.00065209
0.00697772 0.00581790 -0.01429322
-21.84677358 32.11050218 5.68011545
-0.00002971 0.00110685 -0.00094213
0.01365877 -0.00491738 0.00253022
6.88346055 -0.19936289 6.44495697
-0.00046748 0.00016641 -0.00062907
0.01417313 -0.01624263 0.01247908
6.75962407 1.58944934 8.56196981
0.00063072 -0.00002686 0.00024255
0.00885798 -0.00034016 0.00963259
6.73670172 12.25670644 -13.29229814
-0.00044246 0.00039352 0.00018444
0.01020575 0.01068866 0.00252266
4.63226498 12.25156087 -15.33208283
-0.00082428 0.00028273 -0.00055413
0.02126516 -0.02745732 0.03900722
14.62586678 4.53874686 -2.26865480
0.00016129 -0.00030531 -0.00055951
-0.00340311 -0.00826105 -0.00937625
15.55945195 1.64545388 -2.39726240
-0.00046390 -0.00113639 0.00069850
0.00351472 0.02650711 0.00442812
-2.40443952 13.37294811 -0.49847381
-0.00053101 0.00007739 0.00054957
0.00108837 0.00223750 -0.00712776
-5.21976531 13.31487605 -0.10058515
0.00055317 0.00000882 0.00038732
-0.01240784 -0.00941411 0.00724992
3.59292256 11.41680143 3.58737564
0.00094932 0.00024296 0.00029677
-0.02449797 -0.04170686 0.00171306
6.32657828 12.41040535 3.43438417
0.00056584 0.00030712 0.00052235
0.02037730 -0.01554054 0.00136033
24.74825381 -13.56194241 -8.82488495
0.00075411 0.00036125 -0.00005628
0.00104579 -0.00796866 0.00626894
25.38364376 -11.94176004 -11.24188642
0.00042082 0.00082073 0.00105606
0.00099922 0.00316122 0.02058206
14.80842533 -3.69310232 -0.80176802
-0.00067691 -0.00063806 -0.00026879
-0.01073055 0.00772167 -0.00198106
16.99063264 -5.68300834 -0.84976940
0.00030755 0.00079695 0.00053285
0.00197100 0.01486324 0.00162136
11.74079673 7.84557550 11.28661096
-0.00062933 -0.00033001 0.00056163
0.01611770 0.01712106 -0.01684244
13.12434731 9.63351690 9.06514210
-0.00072643 -0.00030200 -0.00038342
-0.00411924 -0.01332153 0.01873116
0.37578025 -14.26622686 16.93524625
-0.00078660 0.00067584 0.00005537
-0.00687431 -0.01077342 -0.00113064
1.57757045 -11.93744400 18.03257551
-0.00058723 0.00041755 0.00004683
0.00740021 0.00299640 0.00525535
-4.47427610 -1.81894962 -13.33072542
0.00031334 -0.00014828 -0.00085645
0.00934516 0.01852133 -0.02244001
-3.26415727 -1.18441515 -16.11887964
0.00124951 0.00037351 -0.00006029
-0.01803023 0.01251984 0.01863717
15.25386078 -8.81635673 -11.06629216
-0.00062715 0.00056876 -0.00037283
-0.01389979 0.01519958 0.02405698
15.95267314 -7.01998565 -8.79576419
-0.00103387 0.00007685 0.00005249
0.02780685 0.03295481 0.00087298
7.47466317 -5.59787177 8.86450449
-0.00004709 -0.00017578 0.00004766
-0.03660597 0.01553542 0.01521387
9.54585908 -5.34350398 6.95457083
-0.00115586 -0.00005307 0.00070294
0.00088501 -0.01216330 0.01379902
-20.89060237 2.17812802 20.77777954
0.00040292 0.00055871 0.00060379
0.00619018 0.00815604 -0.03267265
-22.16161368 0.62846673 22.76245247
0.00048808 -0.00070587 0.00065864
0.00097927 0.01054656 0.01118804
26.50102683 -2.60756059 -5.85375152
-0.00037973 -0.00073073 -0.00019228
0.00076702 -0.00036911 -0.00179529
25.61310926 -1.35219201 -8.27670975
-0.00089708 -0.00000231 -0.00013118
-0.00066696 0.01057413 -0.00539374
9.18017204 -15.73161493 -7.67011262
0.00058308 -0.00000156 0.00013917
-0.01169173 -0.01600114 -0.00187128
8.61767026 -13.03057248 -6.82953408
-0.00018640 0.00040804 -0.00055652
-0.00770429 0.01280689 0.00444172
-5.20390058 -10.72609185 17.86500129
-0.00074307 -0.00049447 -0.00059903
-0.00549149 -0.00679406 -0.00668693
-6.26793720 -10.87494276 15.14487930
-0.00134642 -0.00007868 0.00064607
-0.00703224 0.01082185 -0.01237619
9.91507995 2.82969946 -30.31747568
-0.00043381 -0.00077986 0.00133702
-0.01974656 0.00166995 0.01159581
6.99593620 2.36804237 -30.39694801
-0.00054348 0.00077278 -0.00120496
-0.01130408 -0.00213515 -0.00485855
12.37760214 14.78292265 14.20401934
-0.00002613 -0.00058818 0.00056775
0.01407339 -0.00288422 0.00580605
11.37391365 16.33812181 16.91118825
-0.00085396 0.00017033 -0.00036936
0.00464197 -0.02198110 -0.03977861
28.55736597 5.14558093 -4.47267079
0.00104638 -0.00034369 0.00020554
-0.00275413 -0.00042465 -0.00774970
26.70495683 7.01506022 -3.06605735
-0.00033818 -0.00007785 0.00022714
-0.00198715 -0.00273013 -0.01042796
-9.97988490 4.90519904 6.98784934
-0.00000503 0.00011722 0.00000481
0.00390263 -0.01224712 -0.01290861
-8.63256962 13.19109019 2.53993602
-0.00007132 0.00008404 0.00008792
0.00353212 0.00060470 -0.00359185
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09353308
0.31231553
416.14477941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3963933966 (a.u.)
total exchange computation time: 2.6517369747 s
-154.3734270726
-931.40231291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3959294278 (a.u.)
total exchange computation time: 2.6505210400 s
-154.3781395655
Anderson extrapolation: theta=1.3402300881 (1.3402300881)
-931.40252251
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3951966599 (a.u.)
total exchange computation time: 2.6525700092 s
-154.3853039589
Anderson extrapolation: theta=0.0521540081 (0.0521540081)
-931.40264695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3950714166 (a.u.)
total exchange computation time: 2.6515479088 s
-154.3863906548
Anderson extrapolation: theta=1.8739409709 (1.8739409709)
-931.40265145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3948095542 (a.u.)
total exchange computation time: 2.6490139961 s
-154.3886116889
Anderson extrapolation: theta=0.2302574535 (0.2302574535)
-931.40265584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3947408623 (a.u.)
total exchange computation time: 2.6501190662 s
-154.3891495062
Anderson extrapolation: theta=1.8243011033 (1.8243011033)
-931.40265664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3946350780 (a.u.)
total exchange computation time: 2.6516280174 s
-154.3899281202
Anderson extrapolation: theta=0.3022817894 (0.3022817894)
-931.40265751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3946238845 (a.u.)
total exchange computation time: 2.6511662006 s
-154.3899609325
Anderson extrapolation: theta=1.2607068026 (1.2607068026)
-931.40265770
-27.926645 23.570563 54.653007
558.893284 1032.698625 -412.261460
530.966639 1056.269189 -357.608453
1235.116989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3946260537 (a.u.)
total exchange computation time: 2.6709649563 s
679.22445347
-1084.44728976
89.80970901
-388.68217520
-174.91272926
78.68088198
551.60419304
0.00000000
-931.40265779
3.88254938 -30.95212970 -2.26183929
0.00003809 0.00038324 -0.00015427
0.00731773 -0.00249317 0.01107980
-12.00209563 -2.25657694 -9.07791179
0.00035850 0.00007460 -0.00004863
-0.00735307 0.01172176 -0.03910355
-37.37928535 2.30563905 -0.15017066
-0.00013995 0.00029732 0.00015907
0.02584292 -0.03317041 -0.00362631
-11.33953065 -3.92914726 3.86290466
-0.00032278 -0.00009360 0.00001169
-0.00838579 0.03995918 0.00615686
4.80369108 -3.81757272 9.65423251
-0.00022828 -0.00002217 -0.00028053
-0.00141659 0.01354991 -0.00133381
-32.01884129 -1.22087353 -0.74247588
0.00036738 0.00025591 0.00016269
-0.03727345 0.02455347 0.00696899
15.24722763 12.53633319 -14.11676863
-0.00044206 0.00000922 0.00030400
0.03353300 -0.00594968 -0.02144449
-7.71826384 5.71913354 2.39527934
-0.00002368 0.00019708 -0.00007381
-0.01425254 0.02717455 0.04803636
7.28904057 12.45771392 -5.50522739
0.00027438 0.00009970 0.00009793
0.01222965 0.02675719 -0.03794100
9.02128846 9.70146461 -19.14947917
-0.00006741 0.00029740 0.00013090
-0.03282328 -0.01283016 -0.00698719
23.08907526 17.56844047 -2.08851182
0.00035966 -0.00035877 -0.00012092
0.03171795 0.00059580 0.00458490
2.15109172 16.94582891 -18.98565804
0.00004461 -0.00016209 -0.00018282
-0.00870583 0.04324165 -0.03622934
14.08375646 -1.57711195 -5.30812907
-0.00008908 0.00023341 0.00004186
0.01713649 0.01733030 0.01728468
-16.13041804 -1.96933501 3.45452170
0.00000477 0.00022277 -0.00032961
-0.02783923 -0.01963701 0.00243271
-17.09895835 -1.66004105 19.52681361
0.00010296 -0.00012635 -0.00020544
0.04102262 -0.00554514 0.01987477
0.16840195 2.22361883 -5.25146195
0.00026268 -0.00010336 0.00010892
-0.00719598 -0.03005516 0.01227531
22.25714081 -7.15417959 -8.97859613
0.00009366 -0.00007414 -0.00002349
-0.03098307 0.00451764 -0.01216389
-0.43218515 -6.51376215 7.24264725
0.00001190 0.00015753 -0.00001566
-0.00508368 0.01216168 0.01482149
-1.97518012 -1.58060741 -19.24090012
0.00015597 0.00010671 -0.00014744
-0.03440042 0.02790155 -0.00842620
3.46307143 2.32188820 -9.30504495
-0.00019058 -0.00011418 0.00009252
-0.01237006 0.01018536 -0.02407985
-3.60048923 18.19067289 12.06105860
-0.00004127 -0.00032120 0.00025059
-0.01371599 -0.00512450 -0.02931164
-3.55014182 4.97439064 -11.50079804
-0.00032544 0.00011801 0.00068211
0.00057361 -0.00935306 -0.02076777
-8.29475888 3.38935543 -8.89849102
0.00028011 -0.00025750 -0.00015062
-0.04161350 -0.03755583 0.04645152
1.67247917 27.18206072 8.37690689
0.00042417 0.00033385 0.00007424
0.02176151 0.00573756 -0.02340378
10.19174456 -6.16418428 -2.02827273
-0.00023933 -0.00002632 -0.00012949
-0.00215165 0.00115506 0.01696312
-8.90120210 0.44405851 5.79302420
0.00030819 0.00022863 0.00008935
-0.02514910 -0.00619011 0.02684144
20.57199977 10.68956473 8.76180894
-0.00016594 -0.00018489 0.00008324
-0.00785421 0.01390764 0.01220063
-2.96414255 -2.17362637 -27.11532760
0.00031625 -0.00004507 -0.00007794
0.01689544 0.00462322 0.00502349
-14.26182477 5.97713472 7.29588514
-0.00009191 0.00020540 0.00030508
-0.00013535 0.01095135 -0.00011129
-10.05511318 7.07762971 -2.72528405
0.00023013 0.00022006 0.00018900
0.00496823 0.00650244 -0.02535849
-1.61912096 -15.86940541 24.31709274
0.00006766 0.00024779 -0.00050058
0.04928493 -0.02243921 -0.01684770
-2.59102321 6.47730499 -6.49962212
0.00011771 -0.00025557 0.00006976
0.02430614 -0.00830992 0.01170535
-20.62814299 31.12332994 4.66113759
0.00065037 -0.00015610 -0.00019682
-0.01875374 0.00871343 0.01442330
7.57563681 -0.02109329 8.20334807
0.00003244 0.00000649 -0.00008324
-0.01740974 0.02102790 -0.03216301
5.41027021 11.19071452 -13.89242661
0.00020763 0.00013570 -0.00011483
-0.02962170 0.01743806 -0.03390242
16.03106649 3.38577807 -1.92892485
-0.00042380 -0.00038271 -0.00011782
-0.00009485 -0.02296934 -0.00117743
-3.97960504 13.60124894 -1.40404849
-0.00026875 0.00012770 0.00033050
0.00940044 -0.00687232 -0.00067500
4.58757962 12.85866889 3.34670129
-0.00028274 -0.00026888 -0.00003657
0.02477824 0.04710633 -0.01167054
24.80902077 -11.86734840 -9.43816171
0.00004461 0.00001831 -0.00012107
-0.00005629 0.01435773 -0.02540571
16.49628447 -3.97990505 -0.28169035
-0.00020972 -0.00011113 -0.00023156
0.01689666 -0.00153856 0.00482078
12.86054908 7.91036782 9.76476956
0.00018562 -0.00005466 0.00008843
-0.00797843 0.00749676 0.01223753
1.91276893 -13.70658649 17.73092472
-0.00021925 -0.00033163 -0.00006048
-0.00685375 0.01364711 0.00057851
-4.41662946 -0.52255094 -14.72728913
-0.00017905 -0.00022062 0.00031123
0.01925692 -0.02777465 0.00737525
14.88405256 -8.34001211 -9.21825709
0.00018979 0.00046571 0.00032715
-0.01413548 -0.05503756 -0.03800873
9.02306668 -6.36013356 8.44298085
-0.00023013 -0.00040045 0.00014752
0.03426685 -0.00876096 -0.02447171
-21.32980575 2.26461731 22.49985961
-0.00004225 0.00001971 0.00009349
-0.01242508 -0.02017150 0.02783449
25.85359418 -2.99236412 -7.54296370
0.00007929 -0.00025352 -0.00039106
-0.00614171 -0.00874451 0.00494780
9.88610899 -14.07218524 -7.57969821
-0.00017824 -0.00021551 -0.00011338
0.01990111 0.01288845 -0.00777847
-6.03372888 -11.86876280 16.64604969
-0.00041978 -0.00045229 0.00017506
0.00802052 -0.00842084 0.02412779
8.26826606 3.39593174 -29.60573878
0.00001096 0.00019060 0.00026566
0.02581961 -0.00710259 -0.00697069
11.07173048 15.74524595 15.09485696
-0.00002845 -0.00007061 0.00009435
-0.03037369 0.00592675 0.04532809
28.35096272 6.17758540 -3.00039843
0.00029085 -0.00030090 -0.00011404
0.00235662 0.00723879 0.01516499
5.30667762 -31.54951116 -3.36122331
-0.00002370 0.00007901 -0.00000247
-0.00747804 0.00785342 0.00463621
4.40668917 -31.24637603 -0.51413806
-0.00029051 -0.00073038 0.00009370
-0.00730383 -0.00161745 -0.00725021
-11.99104067 -4.05296694 -8.72500840
0.00062867 0.00063022 0.00027445
0.00179473 -0.00685886 0.01292847
-12.38450115 -2.35650900 -10.90268046
-0.00045384 0.00003478 0.00021615
0.00397711 0.01078946 0.01942440
-38.45585485 2.01436077 1.23180014
-0.00060154 0.00032394 -0.00079832
-0.01559248 -0.00212015 0.02204640
-37.81390685 3.86277817 -0.93775776
0.00009825 0.00036020 -0.00010748
-0.00821604 0.03016890 -0.01269691
-10.86272814 -5.56691759 3.41616064
-0.00041657 0.00087401 -0.00012596
0.02138783 -0.03815037 -0.00754256
-9.82897754 -2.84792319 3.79791758
-0.00027551 -0.00058970 -0.00056762
-0.01132015 -0.00565448 0.00264175
5.73397871 -2.15203264 9.46374602
-0.00070743 -0.00057557 -0.00089797
-0.01479070 -0.02382405 0.00509379
4.08592495 -3.88953463 11.35313322
0.00024723 0.00115526 -0.00027341
0.01200972 0.00150296 -0.00690118
-33.54081595 -2.24391750 -0.46557909
0.00055444 0.00001258 -0.00071662
0.01312963 0.00551210 -0.00166006
-32.67954613 0.50356280 -0.44052703
0.00032031 0.00113191 0.00043411
0.00814517 -0.01656374 0.00285390
14.85706978 13.27653721 -15.84875412
0.00033048 -0.00009360 -0.00144963
0.00405280 -0.01256213 0.02543684
17.06336138 11.91021507 -14.20178167
-0.00124449 0.00077113 0.00064712
-0.03840722 0.00822972 -0.00124493
-8.14483400 7.10072461 1.33405194
-0.00040497 -0.00018449 0.00016437
-0.00779243 0.01470705 -0.00597020
-6.93221439 4.63201663 1.27515616
-0.00032868 0.00042527 0.00063410
0.02044277 -0.04048284 -0.03054217
6.11431739 12.70679395 -6.94679989
-0.00011087 0.00005697 -0.00019978
0.00925313 -0.00845475 0.01650406
8.65532408 13.77910625 -5.98156077
0.00027555 0.00024102 -0.00072059
-0.01359375 -0.02199621 0.00391352
9.02829930 9.16607896 -20.92037789
-0.00048947 -0.00008542 0.00045437
0.01097723 0.00224244 0.01484714
10.68941437 10.01785250 -18.55266558
-0.00028060 -0.00028941 -0.00051427
0.01702705 0.00968241 -0.01004012
24.51770439 16.29792961 -2.39315446
0.00005489 -0.00113529 -0.00047270
-0.02839496 0.01208385 0.00095725
24.02005773 19.18438894 -2.12164442
0.00007672 -0.00067646 -0.00001419
-0.00065350 -0.01423102 -0.00345857
2.12287179 17.63048144 -20.76359957
0.00039705 -0.00003985 -0.00129284
-0.01333268 -0.01146237 0.02267035
3.42757984 15.68835470 -19.08841091
0.00003846 -0.00073498 -0.00072233
0.01014680 -0.03253888 0.00486341
13.41632300 -2.41183939 -6.74525872
-0.00023530 0.00073319 -0.00022640
-0.02018418 0.00175639 -0.01497202
12.78927941 -0.88439538 -4.18462139
0.00047398 0.00040970 0.00057522
0.00150452 -0.01661798 -0.01287233
-17.37974095 -3.39519537 3.65091968
0.00060292 0.00034699 -0.00056211
0.00213359 0.03387097 0.00578967
-14.76482506 -2.96854983 2.84167728
-0.00017968 0.00025359 0.00016214
0.02779262 0.00430197 0.00159343
-16.57522894 -0.01766257 20.33597180
0.00030472 -0.00013730 -0.00110430
-0.00556669 -0.00379599 -0.00763275
-15.57073558 -2.65558889 20.05642848
0.00038584 -0.00069038 -0.00084713
-0.03086466 0.00940662 -0.01429381
-0.94099665 0.75348150 -4.85142293
0.00011472 0.00005384 0.00016831
0.01134488 0.00287930 -0.01271306
-1.05230563 3.52345460 -4.96954336
0.00006076 -0.00060951 0.00098038
-0.00624167 0.02409144 -0.00400029
22.87689437 -8.84247358 -9.09679009
0.00083048 0.00095033 -0.00037571
0.01811633 -0.00842897 0.00643049
23.32946821 -5.95532941 -8.18273992
0.00066801 -0.00050664 -0.00040413
0.02029757 0.00465993 0.01043883
0.71311247 -5.78876930 6.01421682
-0.00004231 -0.00014332 -0.00069556
-0.00034556 -0.00728292 -0.00795002
-0.27919170 -5.27939050 8.59337541
-0.00058567 0.00023532 -0.00012270
-0.00269523 -0.00959839 0.00182362
-1.13087004 -3.06697518 -18.86967770
0.00041566 0.00038727 0.00088279
0.02811404 -0.03775341 0.00930275
-3.53854344 -2.22868665 -20.01280522
0.00045203 0.00100173 -0.00031609
0.00327360 0.00432204 -0.00546642
2.91797724 3.24810168 -10.89140975
0.00029509 -0.00095672 -0.00123068
0.00627757 -0.01780490 0.02858421
2.03729130 2.27061079 -8.10224004
-0.00060264 -0.00040359 0.00016964
0.00407109 0.00711367 -0.00403254
-2.37714329 16.84782371 12.34886168
-0.00040013 0.00027938 0.00056221
0.00524867 -0.00128260 0.00517320
-3.83200233 19.02571954 13.62285329
0.00016274 0.00025333 -0.00101481
0.00522374 0.01056691 0.02415415
-3.83164373 6.08317661 -12.92320175
-0.00094277 0.00100551 -0.00066889
-0.00448230 0.01155832 0.00623037
-3.37827869 3.38412111 -12.41254717
0.00132680 -0.00066621 -0.00025641
-0.00067925 -0.00724034 0.00827273
-7.50890066 2.23271051 -7.66161102
-0.00047997 0.00007534 0.00079546
-0.00680543 0.01155594 -0.01741634
-7.06727937 4.11456561 -9.87682556
0.00094887 -0.00026884 0.00017065
0.04434295 0.02274639 -0.02777208
1.83838465 28.29337194 6.85549075
-0.00004319 -0.00060189 0.00003947
0.00464337 -0.00918324 0.02044739
0.04551426 27.55334385 8.99399896
0.00073937 -0.00037826 0.00004344
-0.02051212 0.00388791 0.01011222
11.13978962 -6.49082362 -0.47508098
-0.00061945 -0.00039942 0.00069418
0.00614311 -0.00185670 -0.00521749
9.01828877 -7.55753581 -1.98213113
-0.00045154 -0.00013302 -0.00051995
-0.00293879 -0.00008332 -0.00659696
-7.29294383 -0.11517075 6.62450144
0.00103895 0.00063508 -0.00049647
-0.00249223 0.00510378 -0.00735966
-10.28275078 -0.07899662 6.97490237
0.00002070 -0.00098731 0.00042830
0.02014227 0.00474467 -0.02018582
21.16473713 10.37902187 10.50929264
0.00070854 0.00028174 -0.00041984
-0.00438989 0.00720039 -0.02054579
20.51772156 12.55942021 8.51207971
-0.00028147 0.00058047 0.00045566
0.01545469 -0.01518335 0.00385680
-1.74129087 -2.99769980 -25.99849099
-0.00056395 0.00074931 -0.00006919
-0.00414217 -0.00746551 -0.00795795
-4.52296083 -2.23220781 -26.18464609
0.00145071 -0.00025783 -0.00062038
-0.00690857 -0.00076710 0.00117573
-14.79062414 7.16430344 8.59014481
0.00097480 -0.00028380 0.00103627
-0.00224597 -0.00556835 -0.00073723
-14.13755531 7.14220768 5.87587909
-0.00053842 -0.00027321 0.00024216
-0.00534000 -0.00354185 -0.00558333
-11.29073030 6.86641790 -4.09965567
0.00071769 -0.00039463 0.00019780
-0.00058859 -0.00325637 0.01525999
-8.91233924 8.11380756 -3.75680265
-0.00022736 -0.00039821 -0.00008577
0.00460662 0.00223276 0.01113760
-1.13372577 -17.53496663 23.54419642
-0.00061240 -0.00058905 -0.00027786
0.00874670 0.01798714 0.00587932
-3.33123730 -16.02102050 24.48495466
-0.00122043 -0.00002406 -0.00000592
-0.06142635 0.00273337 0.00990298
-3.22802462 5.73292308 -7.99277238
-0.00053020 -0.00033416 0.00020982
-0.00095064 -0.00921464 -0.02254186
-3.92637244 7.53812534 -5.96328845
0.00004821 0.00045140 -0.00039241
-0.02162422 0.02266230 0.01140290
-21.85225621 29.92632337 3.88198161
0.00080739 0.00099003 -0.00071237
0.00507357 0.00328437 -0.01521511
-21.84680076 32.12695419 5.66606106
0.00003211 0.00108095 -0.00093594
0.01660662 -0.00775833 0.00049881
6.87688266 -0.19736451 6.43590332
-0.00040684 0.00010131 -0.00057109
0.01551114 -0.01562096 0.01590484
6.76935626 1.58903598 8.56590330
0.00066538 -0.00002557 0.00028189
0.00810958 0.00097303 0.00962253
6.73037760 12.26293676 -13.28945431
-0.00039859 0.00043964 0.00019492
0.01126880 0.01188583 0.00261160
4.62055245 12.25496042 -15.33919945
-0.00073322 0.00016756 -0.00038896
0.02330561 -0.02892036 0.04184272
14.62818183 4.53391401 -2.27733482
0.00014382 -0.00033706 -0.00059818
-0.00514715 -0.00727709 -0.00954914
15.55260115 1.62922032 -2.38664916
-0.00044847 -0.00102166 0.00071739
0.00403962 0.02965327 0.00481952
-2.41237135 13.37417746 -0.49044872
-0.00052387 0.00008642 0.00052015
0.00240594 0.00218615 -0.00727242
-5.21184796 13.31471989 -0.09455316
0.00049625 -0.00003019 0.00042083
-0.01545591 -0.00968297 0.00915415
3.60641167 11.41916776 3.59187973
0.00083919 0.00005715 0.00030609
-0.02941241 -0.04924555 0.00284855
6.33569027 12.41453589 3.44226106
0.00063688 0.00024692 0.00052726
0.01439902 -0.01392682 0.00104485
24.75959746 -13.55676788 -8.82553702
0.00075828 0.00032375 -0.00002920
0.00099512 -0.01038681 0.00698396
25.38998676 -11.92935229 -11.22541484
0.00042823 0.00083185 0.00112774
0.00262347 0.00228199 0.01450436
14.79794284 -3.70243667 -0.80586051
-0.00071368 -0.00060804 -0.00027521
-0.00726800 0.00697766 -0.00116522
16.99530626 -5.67059856 -0.84172690
0.00031790 0.00084568 0.00053533
0.00309424 0.00898722 -0.00040921
11.73185066 7.84114999 11.29451936
-0.00055760 -0.00025951 0.00048518
0.01899630 0.01738847 -0.02058294
13.11332467 9.62857862 9.05996477
-0.00074269 -0.00035371 -0.00030738
-0.00384026 -0.01198997 0.01848910
0.36377062 -14.25641936 16.93604209
-0.00081279 0.00063035 0.00005099
-0.00594799 -0.01149378 -0.00101356
1.56898870 -11.93108891 18.03343896
-0.00055341 0.00041795 0.00006676
0.00915746 -0.00280170 0.00450316
-4.46928968 -1.82060619 -13.34425984
0.00035000 -0.00007950 -0.00093928
0.00860193 0.01514628 -0.01810395
-3.24596715 -1.17842891 -16.11921284
0.00116915 0.00042766 0.00002135
-0.02130345 0.01399058 0.02132219
15.24402765 -8.80735958 -11.07114740
-0.00068366 0.00063161 -0.00027074
-0.01376161 0.01556470 0.02591583
15.93801713 -7.01782301 -8.79495016
-0.00090765 0.00022738 0.00006076
0.03398212 0.04072807 0.00317627
7.47283517 -5.60003236 8.86568563
-0.00019733 -0.00011329 0.00011150
-0.03693757 0.01505115 0.01603460
9.52854833 -5.34467281 6.96553781
-0.00114812 -0.00010011 0.00075306
0.00290483 -0.01086109 0.01073223
-20.88436884 2.18675856 20.78583525
0.00042937 0.00059044 0.00046456
0.00675747 0.00737699 -0.03548118
-22.15426249 0.61820193 22.77267491
0.00049523 -0.00065669 0.00070170
0.00251900 0.01352535 0.00989139
26.49535439 -2.61853288 -5.85669070
-0.00037613 -0.00073099 -0.00019907
0.00099384 0.00024281 -0.00152793
25.59963261 -1.35190264 -8.27884267
-0.00089876 0.00003734 -0.00015046
-0.00015339 0.00883621 -0.00404759
9.18856000 -15.73212872 -7.66808237
0.00053145 -0.00007353 0.00013165
-0.01358159 -0.01922857 -0.00181241
8.61463813 -13.02405944 -6.83774578
-0.00021567 0.00045716 -0.00053963
-0.00662328 0.01123849 0.00382698
-5.21521496 -10.73371703 17.85581094
-0.00076123 -0.00051710 -0.00061911
-0.00339740 -0.00428599 -0.00314120
-6.28834891 -10.87579140 15.15419118
-0.00137522 -0.00003485 0.00059418
-0.00706776 0.01063497 -0.01302722
9.90796772 2.81805274 -30.29706508
-0.00050827 -0.00077436 0.00138129
-0.01670469 0.00102079 0.01007741
6.98743757 2.37956872 -30.41517136
-0.00058255 0.00077050 -0.00121915
-0.00782140 0.00101719 -0.00208432
12.37764143 14.77401164 14.21271348
0.00003147 -0.00059927 0.00059163
0.01412417 -0.00254634 0.00588239
11.36124645 16.34000324 16.90442892
-0.00083273 0.00008181 -0.00052622
0.00574980 -0.02135052 -0.03700561
28.57297735 5.14041261 -4.46982511
0.00103409 -0.00034634 0.00017150
-0.00326582 -0.00087186 -0.00891484
26.69982316 7.01380880 -3.06296985
-0.00033804 -0.00009404 0.00018332
0.00205985 -0.00519294 -0.01102190
-9.97994985 4.90692446 6.98788679
-0.00000363 0.00011279 0.00000020
0.00389314 -0.01251124 -0.01282380
-8.63363333 13.19235183 2.54124851
-0.00007049 0.00008418 0.00008712
0.00365785 0.00062168 -0.00327487
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09358658
0.30907120
411.82188320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3984716000 (a.u.)
total exchange computation time: 2.6736690998 s
-154.3766011565
-931.39934002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3979639367 (a.u.)
total exchange computation time: 2.6750771999 s
-154.3816941333
Anderson extrapolation: theta=1.3381394335 (1.3381394335)
-931.39955911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3971812381 (a.u.)
total exchange computation time: 2.6713109016 s
-154.3892761635
Anderson extrapolation: theta=0.0514537916 (0.0514537916)
-931.39968892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3970603971 (a.u.)
total exchange computation time: 2.6707251072 s
-154.3903165153
Anderson extrapolation: theta=1.8582218163 (1.8582218163)
-931.39969354
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3968124414 (a.u.)
total exchange computation time: 2.6728599072 s
-154.3924059233
Anderson extrapolation: theta=0.2270283130 (0.2270283130)
-931.39969800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3967505943 (a.u.)
total exchange computation time: 2.6704769135 s
-154.3928877083
Anderson extrapolation: theta=1.8219281186 (1.8219281186)
-931.39969879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3966588325 (a.u.)
total exchange computation time: 2.6716740131 s
-154.3935574161
Anderson extrapolation: theta=0.2986635019 (0.2986635019)
-931.39969968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3966532426 (a.u.)
total exchange computation time: 2.6757671833 s
-154.3935512065
Anderson extrapolation: theta=1.2563630559 (1.2563630559)
-931.39969989
-27.963925 23.587019 54.604338
558.885349 1032.698173 -412.292682
530.921424 1056.285192 -357.688344
1235.134372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3966631324 (a.u.)
total exchange computation time: 2.6701920033 s
679.25886941
-1084.52215137
89.80831677
-388.63028451
-174.91778717
78.72186665
551.60419304
0.00000000
-931.39970000
3.88314893 -30.94639079 -2.26411054
0.00004197 0.00038174 -0.00014802
0.00778563 -0.00330860 0.01319979
-11.99674652 -2.25541268 -9.07879204
0.00035472 0.00008147 -0.00006861
-0.00734774 0.01496395 -0.03859847
-37.38128492 2.30997088 -0.14779853
-0.00012613 0.00028075 0.00015635
0.02790779 -0.03125806 -0.00697647
-11.34440468 -3.93039711 3.86310378
-0.00032772 -0.00007156 0.00001530
-0.01084107 0.04575225 0.00785574
4.80026142 -3.81785295 9.65001937
-0.00022926 -0.00001583 -0.00028151
-0.00237655 0.01108016 -0.00245386
-32.01347438 -1.21694020 -0.74000867
0.00034820 0.00026992 0.00016638
-0.03731226 0.02994458 0.00738944
15.24072614 12.53644855 -14.11229141
-0.00042638 0.00000736 0.00029144
0.02742442 -0.00127563 -0.02740166
-7.71867408 5.72219457 2.39435749
-0.00003153 0.00021153 -0.00004770
-0.01627164 0.02903095 0.05348353
7.29320351 12.45931260 -5.50390481
0.00028035 0.00011365 0.00007772
0.01096588 0.02750015 -0.04065260
9.02015076 9.70587606 -19.14754260
-0.00008518 0.00029077 0.00012731
-0.03629643 -0.01294331 -0.00696004
23.09459249 17.56306115 -2.09030797
0.00037567 -0.00035935 -0.00011856
0.03052986 -0.00281500 0.00460530
2.15172723 16.94356440 -18.98854011
0.00004088 -0.00014007 -0.00020282
-0.00579766 0.04237754 -0.04152206
14.08248634 -1.57354389 -5.30743451
-0.00008014 0.00024218 0.00005055
0.01761766 0.01675936 0.01652809
-16.13045381 -1.96606920 3.44958697
-0.00000948 0.00021345 -0.00032822
-0.02759445 -0.01659679 0.00296725
-17.09725575 -1.66195775 19.52380872
0.00012423 -0.00012985 -0.00019548
0.04168330 -0.00803961 0.01884998
0.17231439 2.22195246 -5.24978085
0.00025893 -0.00011885 0.00011527
-0.00737302 -0.03017769 0.01242284
22.25842625 -7.15527428 -8.97899542
0.00007745 -0.00007074 -0.00002951
-0.03208100 0.00870849 -0.01124645
-0.43202626 -6.51135235 7.24246959
0.00000946 0.00016375 -0.00000856
-0.00438781 0.01203083 0.01278917
-1.97297329 -1.57889911 -19.24314419
0.00013936 0.00012117 -0.00015127
-0.03020100 0.02830745 -0.00647115
3.46016497 2.32021484 -9.30375002
-0.00019727 -0.00010886 0.00007985
-0.01363505 0.01048176 -0.02518645
-3.60116112 18.18583512 12.06470440
-0.00004876 -0.00032394 0.00023381
-0.01541384 -0.00552776 -0.03593083
-3.55502121 4.97612467 -11.49064644
-0.00032530 0.00011313 0.00066789
-0.00001755 -0.00960032 -0.03453245
-8.29071771 3.38534813 -8.90057113
0.00025936 -0.00027631 -0.00012733
-0.03909101 -0.03561265 0.04412649
1.67892573 27.18709063 8.37793023
0.00043606 0.00033597 0.00006263
0.02447345 0.00251239 -0.02174094
10.18814630 -6.16457458 -2.03014960
-0.00024024 -0.00002619 -0.00011989
-0.00137212 -0.00066926 0.02036531
-8.89667626 0.44746410 5.79446800
0.00029473 0.00022509 0.00010373
-0.02717328 -0.00757536 0.02907861
20.56948036 10.68684501 8.76310464
-0.00017005 -0.00017646 0.00008898
-0.00812025 0.01886157 0.01010151
-2.95933363 -2.17428456 -27.11647731
0.00032596 -0.00004196 -0.00007737
0.02086763 0.00747628 -0.00280293
-14.26320391 5.98025800 7.30046090
-0.00009188 0.00021039 0.00030529
0.00025612 0.00844175 0.00093306
-10.05164212 7.08095576 -2.72254684
0.00023244 0.00022293 0.00017658
0.00401514 0.00463554 -0.02296007
-1.61791590 -15.86577512 24.30951911
0.00008909 0.00023538 -0.00050909
0.03404476 -0.02580766 -0.01627103
-2.58916374 6.47343943 -6.49853057
0.00012927 -0.00025945 0.00007573
0.02063379 -0.00678792 0.01151945
-20.61845971 31.12102200 4.65824095
0.00064053 -0.00015038 -0.00018862
-0.01953159 0.01353074 0.01745446
7.57605618 -0.02091489 8.20197547
0.00002344 0.00001676 -0.00010055
-0.01757895 0.01892655 -0.03515886
5.41327037 11.19281729 -13.89427983
0.00019188 0.00014472 -0.00013268
-0.03161221 0.01762101 -0.03549694
16.02470910 3.37994885 -1.93069667
-0.00042347 -0.00039539 -0.00011836
0.00136824 -0.02634060 -0.00092700
-3.98360007 13.60313792 -1.39909365
-0.00026351 0.00012425 0.00032971
0.01098768 -0.00655382 -0.00236727
4.58343404 12.85481742 3.34610771
-0.00026736 -0.00024359 -0.00004282
0.03502672 0.05124335 -0.01262933
24.80968970 -11.86701843 -9.44007575
0.00004409 0.00002634 -0.00013253
-0.00194987 0.01689283 -0.01916555
16.49320388 -3.98157798 -0.28514522
-0.00020232 -0.00011009 -0.00022879
0.01187308 0.00559311 0.00598823
12.86330254 7.90957686 9.76614329
0.00018081 -0.00005127 0.00009568
-0.01070950 0.00567516 0.01593242
1.90945366 -13.71150836 17.73001979
-0.00022342 -0.00032310 -0.00006007
-0.00935722 0.01953923 0.00100512
-4.41924091 -0.52596738 -14.72259217
-0.00016820 -0.00023410 0.00031308
0.02293013 -0.02462999 -0.00018667
14.88684481 -8.33323874 -9.21349638
0.00018115 0.00043564 0.00030685
-0.01943376 -0.06191616 -0.04093749
9.01974695 -6.36617416 8.44509928
-0.00021334 -0.00040511 0.00013576
0.03103079 -0.00933016 -0.02125296
-21.33048748 2.26483510 22.50136933
-0.00004903 0.00000882 0.00010850
-0.01394336 -0.02214680 0.03054518
25.85475992 -2.99620070 -7.54881056
0.00007596 -0.00025758 -0.00038895
-0.00680836 -0.00704528 0.00326041
9.88351222 -14.07536816 -7.58142894
-0.00016789 -0.00020772 -0.00011722
0.02032018 0.01741505 -0.00715955
-6.03999470 -11.87557957 16.64876870
-0.00041624 -0.00045718 0.00018643
0.00575380 -0.01061773 0.02005635
8.26853002 3.39876330 -29.60178081
0.00002228 0.00018631 0.00026178
0.01820699 -0.00957371 -0.00812289
11.07118651 15.74420966 15.09644704
-0.00004426 -0.00006791 0.00011662
-0.03110739 0.00458128 0.04126513
28.35533460 6.17309980 -3.00205054
0.00029115 -0.00029647 -0.00010593
-0.00117971 0.00999974 0.01636361
5.30609303 -31.54808535 -3.36111827
-0.00005380 0.00011111 0.00001581
-0.00725685 0.00785774 0.00431160
4.40210771 -31.25738123 -0.51295476
-0.00032161 -0.00073570 0.00006022
-0.00791902 -0.00099062 -0.00913826
-11.98155568 -4.04372386 -8.72049545
0.00063584 0.00059554 0.00032774
0.00171864 -0.01011807 0.01315828
-12.39118690 -2.35565667 -10.89884305
-0.00043761 0.00007855 0.00029376
0.00396686 0.01063568 0.01856789
-38.46535576 2.01915494 1.22050098
-0.00067016 0.00031372 -0.00070249
-0.01799705 -0.00288532 0.02486103
-37.81268481 3.86910567 -0.93975910
0.00006558 0.00048083 -0.00015839
-0.00777774 0.02888043 -0.01222269
-10.86832137 -5.55497641 3.41404011
-0.00032636 0.00070338 -0.00016035
0.02277138 -0.04537590 -0.00929016
-9.83345703 -2.85694201 3.78948417
-0.00031953 -0.00060955 -0.00055647
-0.01022693 -0.00406094 0.00281865
5.72291403 -2.16139625 9.45043256
-0.00076387 -0.00066632 -0.00087804
-0.01283462 -0.02060056 0.00466259
4.09000136 -3.87215961 11.34882062
0.00029443 0.00115987 -0.00029824
0.01109699 0.00075164 -0.00525427
-33.53209707 -2.24355986 -0.47637933
0.00060515 0.00003504 -0.00072272
0.01169562 0.00547952 -0.00132235
-32.67449187 0.52003392 -0.43392786
0.00035606 0.00105324 0.00044425
0.00935584 -0.02194826 0.00210734
14.86215120 13.27474834 -15.86971907
0.00034724 -0.00014909 -0.00133401
0.00415076 -0.01460407 0.03115912
17.04351712 11.92203425 -14.19211309
-0.00138952 0.00079998 0.00064223
-0.03258645 0.00589157 -0.00114560
-8.15114739 7.09840797 1.33633451
-0.00043791 -0.00012057 0.00013643
-0.00832838 0.01657959 -0.00770558
-6.93651811 4.63715513 1.28373172
-0.00023991 0.00025224 0.00050117
0.02300777 -0.04421470 -0.03452630
6.11293788 12.70738936 -6.94929085
-0.00007001 0.00002158 -0.00012808
0.01074992 -0.00886813 0.01859385
8.65904076 13.78204752 -5.99224966
0.00021948 0.00015038 -0.00070327
-0.01385093 -0.02237385 0.00456405
9.02129368 9.16486641 -20.91310745
-0.00044511 -0.00007713 0.00051160
0.01073736 0.00181526 0.01316814
10.68572715 10.01380807 -18.56068723
-0.00020362 -0.00024846 -0.00055196
0.02065300 0.01036014 -0.00840959
24.51765760 16.28127061 -2.40021566
-0.00006182 -0.00108317 -0.00046778
-0.02873469 0.01342860 0.00145025
24.02118846 19.17380592 -2.12196324
0.00007738 -0.00072998 -0.00002897
0.00097774 -0.01196702 -0.00377794
2.12841897 17.62953240 -20.78229744
0.00034177 -0.00009032 -0.00119027
-0.01372768 -0.01323989 0.02753840
3.42846764 15.67633289 -19.09909676
0.00007400 -0.00086198 -0.00070126
0.00725364 -0.02963030 0.00544988
13.41217500 -2.40078769 -6.74911358
-0.00031761 0.00074151 -0.00028599
-0.02010824 0.00231608 -0.01419667
12.79643522 -0.87875912 -4.17638755
0.00047915 0.00034172 0.00052247
0.00102389 -0.01666041 -0.01294711
-17.37063178 -3.38895259 3.64266541
0.00060614 0.00048064 -0.00053743
-0.00055679 0.03155130 0.00629449
-14.76666855 -2.96461416 2.84415825
-0.00006149 0.00026926 0.00016669
0.03006087 0.00336769 0.00063342
-16.57082867 -0.01983846 20.31917336
0.00028328 -0.00015089 -0.00113325
-0.00493210 -0.00285517 -0.00653500
-15.56589382 -2.66565627 20.04328345
0.00025723 -0.00064901 -0.00090540
-0.03208764 0.01084083 -0.01422843
-0.93892814 0.75437740 -4.84928780
0.00016165 0.00006413 0.00011628
0.01162435 0.00215374 -0.01275744
-1.05158553 3.51505015 -4.95496023
0.00003537 -0.00050921 0.00096367
-0.00618739 0.02500529 -0.00417737
22.88990670 -8.82847697 -9.10222870
0.00090670 0.00090500 -0.00035110
0.01919560 -0.01375684 0.00561543
23.34011030 -5.96278629 -8.18848194
0.00075062 -0.00048538 -0.00036158
0.02014309 0.00574913 0.01038947
0.71246727 -5.79114220 6.00353976
-0.00004620 -0.00017400 -0.00072392
-0.00156025 -0.00773630 -0.00593084
-0.28805937 -5.27615477 8.59159086
-0.00059552 0.00019730 -0.00011530
-0.00212672 -0.00901234 0.00179849
-1.12377363 -3.06232308 -18.85615075
0.00052693 0.00023622 0.00091917
0.02635359 -0.03618586 0.00850554
-3.53166274 -2.21352827 -20.01771405
0.00046081 0.00101517 -0.00034025
0.00102729 0.00225510 -0.00635963
2.92259598 3.23320531 -10.90899405
0.00032054 -0.00103074 -0.00110820
0.00617982 -0.01842938 0.03137184
2.02837641 2.26477487 -8.09981896
-0.00058303 -0.00037326 0.00014965
0.00553166 0.00773588 -0.00575518
-2.38298441 16.85197505 12.35745335
-0.00037319 0.00026798 0.00058447
0.00793786 -0.00429513 0.00572074
-3.82940111 19.02984329 13.60837127
0.00018191 0.00030352 -0.00090408
0.00416070 0.01400253 0.03004880
-3.84592257 6.09861349 -12.93304424
-0.00095676 0.00103624 -0.00062405
-0.00237051 0.00348355 0.01572189
-3.35839756 3.37390609 -12.41613982
0.00132113 -0.00067893 -0.00021419
-0.00209445 0.00101177 0.01239670
-7.51630872 2.23419471 -7.65021287
-0.00050708 0.00012290 0.00072324
-0.00646670 0.01172698 -0.01793316
-7.05168749 4.11123004 -9.87511686
0.00112425 -0.00018026 0.00006297
0.04150758 0.02061175 -0.02493487
1.83787904 28.28406214 6.85670939
-0.00002354 -0.00063484 0.00011733
0.00497513 -0.00694503 0.01766587
0.05597618 27.54778915 8.99496046
0.00064884 -0.00036053 0.00008723
-0.02380150 0.00479000 0.01132446
11.13068610 -6.49687177 -0.46482823
-0.00059812 -0.00040573 0.00066624
0.00429919 -0.00123423 -0.00845918
9.01142558 -7.55953373 -1.99013260
-0.00046145 -0.00013082 -0.00054702
-0.00190967 0.00116036 -0.00665047
-7.27743603 -0.10548807 6.61682889
0.00102541 0.00065569 -0.00052628
-0.00413570 0.00498317 -0.00723187
-10.28182302 -0.09366089 6.98070833
0.00011002 -0.00096478 0.00034101
0.02357908 0.00628629 -0.02254214
21.17523065 10.38346866 10.50236552
0.00069161 0.00030930 -0.00049957
-0.00389586 0.00628983 -0.01848694
20.51397308 12.56766205 8.51903280
-0.00021867 0.00050993 0.00047116
0.01528756 -0.01934796 0.00373238
-1.74987712 -2.98668896 -25.99977273
-0.00057049 0.00071281 -0.00009473
0.00094071 -0.01039816 -0.00454541
-4.50141190 -2.23609880 -26.19391578
0.00140339 -0.00026068 -0.00060622
-0.01625400 -0.00062842 0.00575428
-14.77607092 7.15987586 8.60566629
0.00096520 -0.00030480 0.00103285
-0.00245380 -0.00471105 -0.00093696
-14.14579520 7.13800100 5.87934045
-0.00056051 -0.00028431 0.00021781
-0.00547604 -0.00189320 -0.00633692
-11.27998301 6.86039868 -4.09622103
0.00071143 -0.00040859 0.00025799
-0.00247745 -0.00357823 0.01420019
-8.91560851 8.10790275 -3.75774794
-0.00020325 -0.00038455 -0.00004315
0.00719624 0.00445686 0.00972686
-1.14264374 -17.54325114 23.54020868
-0.00057705 -0.00051093 -0.00025212
0.00855706 0.02025031 0.00672102
-3.35142607 -16.02129763 24.48516932
-0.00143983 -0.00000994 0.00003166
-0.04597076 0.00417947 0.00849297
-3.23600676 5.72762836 -7.99031586
-0.00053222 -0.00037072 0.00012036
-0.00003640 -0.00868477 -0.02125078
-3.92631192 7.54559072 -5.96882514
-0.00003481 0.00054017 -0.00034753
-0.01901358 0.02079233 0.01056565
-21.83998992 29.94127449 3.87082986
0.00082400 0.00099822 -0.00077652
0.00305908 0.00072181 -0.01619019
-21.84581018 32.14293073 5.65203724
0.00010526 0.00104389 -0.00093739
0.01920131 -0.01038501 -0.00120792
6.87125539 -0.19632348 6.42782441
-0.00034127 0.00003886 -0.00050024
0.01658633 -0.01495139 0.01877474
6.77958545 1.58868226 8.57042652
0.00069689 -0.00001883 0.00032102
0.00731289 0.00232650 0.00953016
6.72474411 12.26989551 -13.28645042
-0.00035136 0.00048980 0.00020537
0.01185081 0.01266823 0.00249940
4.61026823 12.25658755 -15.34375169
-0.00063492 0.00004774 -0.00021416
0.02481749 -0.02973259 0.04372294
14.63018144 4.52863518 -2.28660007
0.00011941 -0.00036474 -0.00063752
-0.00680138 -0.00627311 -0.00970785
15.54599792 1.61480409 -2.37574056
-0.00043127 -0.00089583 0.00073739
0.00437803 0.03194135 0.00496702
-2.42015573 13.37554079 -0.48286932
-0.00051123 0.00009522 0.00049031
0.00378121 0.00211996 -0.00733447
-5.20487784 13.31397029 -0.08796015
0.00042773 -0.00007011 0.00046142
-0.01808426 -0.00985730 0.01071132
3.61809821 11.41851601 3.59655838
0.00071149 -0.00015601 0.00031968
-0.03309902 -0.05509890 0.00380237
6.34568473 12.41781292 3.45020198
0.00068290 0.00019338 0.00053072
0.00812667 -0.01228267 0.00064870
24.77100210 -13.55222992 -8.82576107
0.00076232 0.00027742 0.00000042
0.00098424 -0.01229095 0.00751861
25.39649053 -11.91680468 -11.20805435
0.00044285 0.00083944 0.00117315
0.00453571 0.00143569 0.00772756
14.78701492 -3.71134338 -0.81002441
-0.00073567 -0.00058113 -0.00027815
-0.00349815 0.00619463 -0.00027110
17.00016951 -5.65763799 -0.83370949
0.00033322 0.00086939 0.00052928
0.00440507 0.00262121 -0.00255269
11.72406881 7.83779015 11.30116630
-0.00047516 -0.00018818 0.00039497
0.02135739 0.01752723 -0.02357305
13.10206667 9.62290551 9.05592056
-0.00075767 -0.00039921 -0.00023284
-0.00349120 -0.01028237 0.01799979
0.35139645 -14.24731628 16.93677582
-0.00083465 0.00058226 0.00004739
-0.00475103 -0.01204747 -0.00074739
1.56096818 -11.92490552 18.03457838
-0.00051266 0.00039547 0.00008370
0.01079022 -0.00820128 0.00378919
-4.46377608 -1.82133451 -13.35890378
0.00038358 -0.00002593 -0.00100305
0.00783340 0.01107245 -0.01311204
-3.22908263 -1.17158525 -16.11823928
0.00107639 0.00048712 0.00011267
-0.02410360 0.01511162 0.02338188
15.23335111 -8.79740853 -11.07441436
-0.00073925 0.00069550 -0.00016237
-0.01345298 0.01571360 0.02713111
15.92544376 -7.01316431 -8.79394147
-0.00075893 0.00040663 0.00007736
0.03881350 0.04701940 0.00494846
7.46874340 -5.60127053 8.86784948
-0.00034589 -0.00005420 0.00017778
-0.03578363 0.01387589 0.01641001
9.51141562 -5.34650727 6.97716253
-0.00113200 -0.00014112 0.00078977
0.00498503 -0.00921231 0.00724056
-20.87772117 2.19584122 20.79171646
0.00045735 0.00061900 0.00031685
0.00693640 0.00660110 -0.03682445
-22.14675692 0.60876605 22.78350355
0.00050821 -0.00059617 0.00073942
0.00383847 0.01609929 0.00856995
26.48974285 -2.62949030 -5.85972351
-0.00037162 -0.00072875 -0.00020468
0.00121691 0.00085432 -0.00122039
25.58614656 -1.35107172 -8.28122366
-0.00089818 0.00006918 -0.00016397
0.00043698 0.00674759 -0.00256409
9.19611559 -15.73382097 -7.66616319
0.00047275 -0.00015725 0.00012447
-0.01515083 -0.02174857 -0.00169880
8.61120008 -13.01685764 -6.84572293
-0.00023984 0.00049922 -0.00052559
-0.00520921 0.00935197 0.00304566
-5.22673756 -10.74160488 17.84642807
-0.00077041 -0.00052889 -0.00062415
-0.00109526 -0.00148561 0.00067097
-6.30919379 -10.87598825 15.16270466
-0.00140393 0.00000737 0.00054087
-0.00698745 0.01003231 -0.01306775
9.89983173 2.80646859 -30.27603687
-0.00056924 -0.00077208 0.00141900
-0.01314007 0.00009666 0.00838074
6.97845959 2.39115740 -30.43352245
-0.00060714 0.00078105 -0.00122168
-0.00421542 0.00414616 0.00084626
12.37854632 14.76494457 14.22176812
0.00008859 -0.00060851 0.00061607
0.01383287 -0.00197599 0.00608169
11.34893162 16.34057617 16.89540166
-0.00080684 -0.00000332 -0.00066972
0.00692612 -0.02032360 -0.03323659
28.58838857 5.13519085 -4.46752580
0.00101975 -0.00035049 0.00013327
-0.00374986 -0.00116190 -0.00979651
26.69481574 7.01223912 -3.06055783
-0.00032187 -0.00011992 0.00013715
0.00585372 -0.00747547 -0.01157621
-9.97999389 4.90858270 6.98785539
-0.00000224 0.00010826 -0.00000437
0.00387126 -0.01276824 -0.01274343
-8.63468430 13.19361563 2.54254960
-0.00006963 0.00008433 0.00008640
0.00377757 0.00062596 -0.00296158
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09359288
0.30610713
407.87239901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4008719687 (a.u.)
total exchange computation time: 2.6860880852 s
-154.3773694776
-931.39778321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4002799678 (a.u.)
total exchange computation time: 2.6884460449 s
-154.3830111830
Anderson extrapolation: theta=1.3594167789 (1.3594167789)
-931.39801913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3993578581 (a.u.)
total exchange computation time: 2.6875159740 s
-154.3914439070
Anderson extrapolation: theta=0.0594120114 (0.0594120114)
-931.39816345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3992137341 (a.u.)
total exchange computation time: 2.6861438751 s
-154.3925792786
Anderson extrapolation: theta=2.0433815137 (2.0000000000)
-931.39816995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3989051980 (a.u.)
total exchange computation time: 2.6876630783 s
-154.3949411848
Anderson extrapolation: theta=0.2681908310 (0.2681908310)
-931.39817743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3988235696 (a.u.)
total exchange computation time: 2.6856789589 s
-154.3955032291
Anderson extrapolation: theta=1.6251710834 (1.6251710834)
-931.39817906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3987187869 (a.u.)
total exchange computation time: 2.6912648678 s
-154.3961489463
Anderson extrapolation: theta=0.3261804704 (0.3261804704)
-931.39818079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3987124899 (a.u.)
total exchange computation time: 2.6875219345 s
-154.3961063762
Anderson extrapolation: theta=1.1714468826 (1.1714468826)
-931.39818124
-28.003942 23.598922 54.560215
558.878039 1032.696178 -412.321576
530.874097 1056.295100 -357.761361
1235.143650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3987257636 (a.u.)
total exchange computation time: 2.6868920326 s
679.28452174
-1084.57758245
89.80654753
-388.59163108
-174.92131152
78.75286738
551.60419304
0.00000000
-931.39818153
3.88380855 -30.94067740 -2.26627996
0.00004604 0.00037984 -0.00014075
0.00802416 -0.00408410 0.01508588
-11.99145410 -2.25413297 -9.07997006
0.00035098 0.00008991 -0.00008814
-0.00720530 0.01787951 -0.03736878
-37.38306919 2.31406156 -0.14548021
-0.00011149 0.00026537 0.00015203
0.02899967 -0.02856222 -0.00982079
-11.34936236 -3.93129399 3.86336351
-0.00033388 -0.00004708 0.00001966
-0.01308359 0.04944829 0.00910458
4.79681342 -3.81804769 9.64578731
-0.00023079 -0.00001093 -0.00028307
-0.00360297 0.00798364 -0.00361272
-32.00839533 -1.21277586 -0.73748446
0.00032917 0.00028654 0.00017025
-0.03670101 0.03469032 0.00764088
15.23443623 12.53655406 -14.10802558
-0.00041410 0.00000788 0.00027605
0.02034152 0.00328093 -0.03240834
-7.71920985 5.72547958 2.39384824
-0.00004014 0.00022665 -0.00001931
-0.01721050 0.02974327 0.05694008
7.29745105 12.46112344 -5.50289584
0.00028569 0.00012787 0.00005627
0.00979755 0.02780719 -0.04273592
9.01873304 9.71018765 -19.14565973
-0.00010454 0.00028414 0.00012391
-0.03898030 -0.01282222 -0.00627737
23.10034524 17.55766011 -2.09206859
0.00039089 -0.00036166 -0.00011617
0.02868978 -0.00617640 0.00467184
2.15231801 16.94162683 -18.99174252
0.00003879 -0.00011875 -0.00022521
-0.00231062 0.04051961 -0.04557284
14.08135214 -1.56984654 -5.30661244
-0.00007099 0.00025052 0.00005863
0.01799550 0.01565478 0.01486987
-16.13070247 -1.96293143 3.44467513
-0.00002334 0.00020576 -0.00032663
-0.02631667 -0.01329986 0.00321185
-17.09523159 -1.66393648 19.52094925
0.00014561 -0.00013455 -0.00018615
0.04148789 -0.01024187 0.01744145
0.17616994 2.22005328 -5.24800392
0.00025502 -0.00013417 0.00012169
-0.00783592 -0.02937394 0.01255059
22.25946421 -7.15630178 -8.97948148
0.00006086 -0.00006521 -0.00003497
-0.03241713 0.01278474 -0.00996100
-0.43190123 -6.50884974 7.24239059
0.00000726 0.00016983 -0.00000250
-0.00418837 0.01160820 0.01075168
-1.97099944 -1.57697243 -19.24543818
0.00012520 0.00013541 -0.00015395
-0.02485072 0.02707868 -0.00396610
3.45715332 2.31862234 -9.30264939
-0.00020451 -0.00010349 0.00006675
-0.01453436 0.01039346 -0.02577539
-3.60195192 18.18095471 12.06807299
-0.00005715 -0.00032681 0.00021392
-0.01720813 -0.00563544 -0.04144138
-3.55990073 4.97778464 -11.48076125
-0.00032540 0.00010809 0.00064698
-0.00037510 -0.01000489 -0.04681107
-8.28697812 3.38106610 -8.90231083
0.00024031 -0.00029376 -0.00010570
-0.03498201 -0.03224102 0.03998523
1.68556109 27.19213991 8.37878586
0.00044908 0.00033642 0.00005212
0.02614048 -0.00076715 -0.01914893
10.18453745 -6.16497004 -2.03186935
-0.00024078 -0.00002700 -0.00010860
-0.00074168 -0.00246243 0.02352196
-8.89236006 0.45081124 5.79613614
0.00028041 0.00022091 0.00011909
-0.02851829 -0.00866973 0.03066006
20.56689831 10.68427080 8.76447827
-0.00017433 -0.00016563 0.00009355
-0.00853284 0.02326505 0.00768975
-2.95436373 -2.17488506 -27.11764863
0.00033766 -0.00003735 -0.00008089
0.02462473 0.01043904 -0.01088005
-14.26458108 5.98344640 7.30504385
-0.00009164 0.00021408 0.00030602
0.00065617 0.00591729 0.00192326
-10.04814009 7.08431756 -2.71998676
0.00023429 0.00022483 0.00016547
0.00321334 0.00276692 -0.02021346
-1.61644819 -15.86234393 24.30181995
0.00010248 0.00022136 -0.00051718
0.01800938 -0.02872480 -0.01518501
-2.58714508 6.46952151 -6.49735016
0.00013870 -0.00026248 0.00008152
0.01601370 -0.00500054 0.01098247
-20.60892711 31.11881844 4.65547896
0.00063041 -0.00014225 -0.00017896
-0.01983705 0.01809293 0.02012802
7.57633994 -0.02059047 8.20033164
0.00001443 0.00002595 -0.00011923
-0.01746526 0.01680358 -0.03748809
5.41602665 11.19505600 -13.89640689
0.00017538 0.00015379 -0.00015106
-0.03257473 0.01764970 -0.03598310
16.01836226 3.37391642 -1.93247564
-0.00042239 -0.00040957 -0.00011871
0.00283657 -0.02879550 -0.00043789
-3.98751034 13.60497635 -1.39415708
-0.00025759 0.00012093 0.00032815
0.01202462 -0.00632584 -0.00370137
4.57955868 12.85136127 3.34541671
-0.00024712 -0.00021672 -0.00004946
0.04368391 0.05323849 -0.01321181
24.81034359 -11.86655814 -9.44213765
0.00004252 0.00003552 -0.00014058
-0.00415737 0.01879175 -0.01214263
16.49021489 -3.98320775 -0.28855390
-0.00019758 -0.00010530 -0.00022540
0.00655183 0.01303052 0.00716570
12.86597338 7.90882968 9.76763993
0.00017472 -0.00004888 0.00010469
-0.01297907 0.00362212 0.01911289
1.90606621 -13.71627948 17.72912261
-0.00022890 -0.00031171 -0.00005950
-0.01192387 0.02474065 0.00122294
-4.42167546 -0.52957384 -14.71789665
-0.00015558 -0.00024570 0.00031105
0.02613742 -0.02049688 -0.00773288
14.88948714 -8.32694302 -9.20905150
0.00017021 0.00040260 0.00028540
-0.02312080 -0.06653216 -0.04248222
9.01666660 -6.37228673 8.44705374
-0.00019857 -0.00040997 0.00012586
0.02638267 -0.00957882 -0.01726428
-21.33127679 2.26488204 22.50311470
-0.00005642 -0.00000295 0.00012450
-0.01477999 -0.02365578 0.03166354
25.85587313 -3.00009163 -7.55463227
0.00007228 -0.00026071 -0.00038774
-0.00752577 -0.00510073 0.00146393
9.88107221 -14.07841672 -7.58321491
-0.00015750 -0.00019775 -0.00012073
0.02010574 0.02134579 -0.00648505
-6.04621613 -11.88247825 16.65164244
-0.00041393 -0.00046316 0.00019550
0.00324693 -0.01261453 0.01524884
8.26893445 3.40152101 -29.59788550
0.00002958 0.00018086 0.00025732
0.01018473 -0.01162921 -0.00919699
11.07040255 15.74320872 15.09835546
-0.00006037 -0.00006605 0.00013649
-0.03152799 0.00265178 0.03600055
28.35969737 6.16869135 -3.00357640
0.00028972 -0.00029072 -0.00009730
-0.00439826 0.01234575 0.01721613
5.30506371 -31.54617796 -3.36074898
-0.00008276 0.00014307 0.00003266
-0.00692119 0.00778735 0.00393486
4.39704093 -31.26844715 -0.51233152
-0.00035497 -0.00073851 0.00001967
-0.00841274 -0.00038207 -0.01071116
-11.97196537 -4.03510087 -8.71517607
0.00064270 0.00054834 0.00038175
0.00163999 -0.01298416 0.01327616
-12.39762953 -2.35415252 -10.89386768
-0.00042171 0.00012152 0.00036663
0.00381939 0.01040023 0.01710149
-38.47595964 2.02377228 1.21072546
-0.00074712 0.00030078 -0.00059726
-0.01967591 -0.00344599 0.02665003
-37.81193945 3.87720315 -0.94250952
0.00003520 0.00059421 -0.00020634
-0.00709442 0.02661852 -0.01124728
-10.87251902 -5.54581615 3.41135021
-0.00023158 0.00050702 -0.00020090
0.02362764 -0.05074250 -0.01055975
-9.83856330 -2.86620971 3.78122350
-0.00035842 -0.00062246 -0.00054468
-0.00880993 -0.00225621 0.00295338
5.71106276 -2.17202239 9.43740485
-0.00081159 -0.00074262 -0.00086020
-0.01052920 -0.01674539 0.00406911
4.09475786 -3.85473853 11.34418600
0.00033772 0.00116139 -0.00031592
0.01009447 -0.00000711 -0.00340179
-33.52266142 -2.24286641 -0.48726060
0.00064935 0.00005688 -0.00072735
0.00993829 0.00521527 -0.00094525
-32.66886423 0.53515992 -0.42719955
0.00039608 0.00095430 0.00045158
0.01023265 -0.02648080 0.00148111
14.86748700 13.27206444 -15.88877440
0.00036385 -0.00021198 -0.00119694
0.00397853 -0.01617814 0.03593937
17.02167577 11.93421451 -14.18251471
-0.00150828 0.00081859 0.00063772
-0.02554513 0.00321964 -0.00106545
-8.15797121 7.09710743 1.33814484
-0.00047263 -0.00005024 0.00010209
-0.00866863 0.01785033 -0.00910164
-6.93941177 4.63958389 1.29019129
-0.00014322 0.00006750 0.00035531
0.02432462 -0.04621736 -0.03687321
6.11221720 12.70744126 -6.95064226
-0.00002389 -0.00001528 -0.00004895
0.01182305 -0.00917177 0.02013958
8.66190857 13.78361758 -6.00265883
0.00016298 0.00005885 -0.00068347
-0.01380991 -0.02242952 0.00512512
9.01494610 9.16376511 -20.90502999
-0.00040192 -0.00007087 0.00056108
0.01040455 0.00124677 0.01105413
10.68330566 10.01039857 -18.56922427
-0.00011327 -0.00020501 -0.00058342
0.02357696 0.01091077 -0.00699148
24.51584977 16.26543460 -2.40718797
-0.00017898 -0.00102629 -0.00046102
-0.02861753 0.01441464 0.00186166
24.02237911 19.16248949 -2.12251359
0.00008507 -0.00077352 -0.00004502
0.00278510 -0.00934350 -0.00407600
2.13312484 17.62777195 -20.79930760
0.00028488 -0.00014732 -0.00106984
-0.01412139 -0.01466274 0.03141251
3.42979998 15.66249516 -19.10944860
0.00009665 -0.00097588 -0.00067751
0.00383247 -0.02612398 0.00617345
13.40679464 -2.38959405 -6.75383850
-0.00039890 0.00075280 -0.00034120
-0.01968458 0.00320978 -0.01282832
12.80365378 -0.87414391 -4.16894718
0.00048186 0.00027399 0.00047004
0.00030365 -0.01649197 -0.01272194
-17.36155673 -3.38077615 3.63479690
0.00059769 0.00060353 -0.00051067
-0.00358110 0.02860401 0.00680095
-14.76666971 -2.96047209 2.84667804
0.00006460 0.00028179 0.00016793
0.03165830 0.00276622 -0.00002781
-16.56673067 -0.02218934 20.30197440
0.00026459 -0.00016026 -0.00115752
-0.00421347 -0.00173238 -0.00534728
-15.56301859 -2.67505926 20.02926642
0.00012521 -0.00060275 -0.00096281
-0.03253655 0.01180438 -0.01387168
-0.93614721 0.75540529 -4.84793453
0.00020917 0.00007099 0.00006429
0.01163708 0.00120828 -0.01269104
-1.05124464 3.50817817 -4.94063312
0.00001122 -0.00040654 0.00094600
-0.00563008 0.02525487 -0.00447350
22.90409546 -8.81532346 -9.10732317
0.00098690 0.00083910 -0.00032987
0.02005914 -0.01850325 0.00477719
23.35198689 -5.96989082 -8.19358723
0.00083148 -0.00046061 -0.00031995
0.01943499 0.00637527 0.00998524
0.71172644 -5.79398923 5.99249922
-0.00005349 -0.00020608 -0.00074647
-0.00200548 -0.00796703 -0.00510983
-0.29705737 -5.27347136 8.58991652
-0.00060296 0.00016196 -0.00010774
-0.00151205 -0.00828667 0.00190211
-1.11506210 -3.05988866 -18.84210254
0.00062881 0.00009509 0.00095125
0.02351497 -0.03289803 0.00719779
-3.52471909 -2.19823168 -20.02301263
0.00046027 0.00102005 -0.00036811
-0.00129040 0.00013360 -0.00728121
2.92759346 3.21717947 -10.92465568
0.00034517 -0.00110646 -0.00097575
0.00587740 -0.01863550 0.03346412
2.01980053 2.25941305 -8.09775060
-0.00055776 -0.00034048 0.00012303
0.00683697 0.00830925 -0.00727306
-2.38833905 16.85586316 12.36639563
-0.00033543 0.00024453 0.00060894
0.01054510 -0.00718551 0.00625862
-3.82654489 19.03482520 13.59573083
0.00019711 0.00036686 -0.00077143
0.00327829 0.01700372 0.03488553
-3.86034668 6.11426387 -12.94192320
-0.00096240 0.00103568 -0.00054269
-0.00038733 -0.00375628 0.02410457
-3.33864478 3.36375308 -12.41897274
0.00130941 -0.00065931 -0.00015590
-0.00364071 0.00859263 0.01613671
-7.52411311 2.23639761 -7.63991379
-0.00053227 0.00017032 0.00064985
-0.00586076 0.01148434 -0.01799109
-7.03355176 4.10915768 -9.87493634
0.00128428 -0.00010249 -0.00003036
0.03682553 0.01745727 -0.02075393
1.83767835 28.27432670 6.85901072
-0.00000256 -0.00065804 0.00018275
0.00529804 -0.00441308 0.01435453
0.06497941 27.54252800 8.99661599
0.00054701 -0.00033963 0.00013515
-0.02604334 0.00544081 0.01212833
11.12184605 -6.50299557 -0.45509391
-0.00058409 -0.00040959 0.00062545
0.00256700 -0.00065371 -0.01150624
9.00444536 -7.56146054 -1.99854165
-0.00046711 -0.00012353 -0.00057417
-0.00086047 0.00240836 -0.00664044
-7.26218168 -0.09550000 6.60871312
0.00100526 0.00067569 -0.00055543
-0.00572737 0.00480743 -0.00703904
-10.27945018 -0.10793990 6.98513276
0.00021189 -0.00093641 0.00024535
0.02628454 0.00759860 -0.02428455
21.18548540 10.38830094 10.49430540
0.00067711 0.00033294 -0.00056995
-0.00320007 0.00528106 -0.01596232
20.51116151 12.57471814 8.52621464
-0.00015670 0.00042366 0.00048588
0.01504391 -0.02288081 0.00347174
-1.75840571 -2.97631539 -26.00133304
-0.00055587 0.00066418 -0.00010584
0.00621719 -0.01341011 -0.00088920
-4.48085910 -2.24002831 -26.20283280
0.00131792 -0.00026304 -0.00057340
-0.02558267 -0.00052501 0.01031320
-14.76166809 7.15515956 8.62113034
0.00095477 -0.00032225 0.00102859
-0.00265255 -0.00383281 -0.00115086
-14.15437069 7.13367829 5.88241344
-0.00058317 -0.00028875 0.00019053
-0.00561615 -0.00027668 -0.00701596
-11.26938755 6.85416016 -4.09191611
0.00069719 -0.00042390 0.00031334
-0.00449081 -0.00391730 0.01289787
-8.91843674 8.10227109 -3.75809712
-0.00016860 -0.00036177 -0.00000654
0.00976558 0.00669422 0.00819478
-1.15103727 -17.55029459 23.53663286
-0.00054239 -0.00042455 -0.00022336
0.00840689 0.02203469 0.00735762
-3.37443222 -16.02131862 24.48590448
-0.00159461 0.00001014 0.00006308
-0.02979336 0.00564768 0.00688580
-3.24399114 5.72180138 -7.98916172
-0.00052997 -0.00040433 0.00003760
0.00113667 -0.00776622 -0.01925981
-3.92741666 7.55433039 -5.97371429
-0.00010573 0.00061999 -0.00030675
-0.01570548 0.01828220 0.00939684
-21.82753616 29.95626984 3.85868587
0.00083232 0.00099603 -0.00084471
0.00101170 -0.00178992 -0.01718466
-21.84364282 32.15827080 5.63793939
0.00018818 0.00099666 -0.00094510
0.02138860 -0.01273180 -0.00256725
6.86664463 -0.19619876 6.42089613
-0.00027186 -0.00002076 -0.00041885
0.01738693 -0.01423440 0.02106783
6.79026282 1.58847112 8.57553380
0.00072509 -0.00000658 0.00035959
0.00649554 0.00367119 0.00935039
6.71983690 12.27763065 -13.28329335
-0.00030278 0.00054224 0.00021490
0.01192737 0.01300139 0.00216626
4.60150499 12.25639248 -15.34562432
-0.00053151 -0.00007414 -0.00003355
0.02579840 -0.02992405 0.04468701
14.63176421 4.52297189 -2.29646028
0.00008854 -0.00038836 -0.00067745
-0.00831186 -0.00529073 -0.00983975
15.53966300 1.60234542 -2.36452754
-0.00041308 -0.00076246 0.00075752
0.00452836 0.03334619 0.00488674
-2.42770837 13.37703405 -0.47573943
-0.00049293 0.00010372 0.00046037
0.00517987 0.00204158 -0.00732348
-5.19901603 13.31261658 -0.08071069
0.00034952 -0.00011052 0.00050746
-0.02020188 -0.00992286 0.01182697
3.62775624 11.41448747 3.60147007
0.00057183 -0.00038856 0.00033656
-0.03526269 -0.05873611 0.00446177
6.35617723 12.42033719 3.45818266
0.00070330 0.00014649 0.00053243
0.00186033 -0.01066726 0.00018958
24.78246705 -13.54844523 -8.82552434
0.00076639 0.00022454 0.00003180
0.00100578 -0.01359684 0.00783952
25.40327228 -11.90416908 -11.19022027
0.00046584 0.00084369 0.00118973
0.00671996 0.00064616 0.00038727
14.77587261 -3.71987045 -0.81420492
-0.00074199 -0.00055744 -0.00027737
0.00040517 0.00539958 0.00065099
17.00530273 -5.64451678 -0.82584852
0.00035420 0.00086647 0.00051437
0.00586684 -0.00405057 -0.00474787
11.71759587 7.83550449 11.30636854
-0.00038414 -0.00011656 0.00029407
0.02319589 0.01753182 -0.02581814
13.09059471 9.61660224 9.05297948
-0.00077110 -0.00043704 -0.00016078
-0.00308311 -0.00823389 0.01727562
0.33873112 -14.23895155 16.93746374
-0.00085115 0.00053221 0.00004514
-0.00332528 -0.01245423 -0.00035384
1.55360894 -11.91922475 18.03595003
-0.00046557 0.00035205 0.00009785
0.01226180 -0.01305549 0.00313684
-4.45778240 -1.82138424 -13.37435131
0.00041400 0.00000963 -0.00104522
0.00706096 0.00633667 -0.00752895
-3.21367533 -1.16381546 -16.11583273
0.00097319 0.00055047 0.00021118
-0.02641678 0.01590000 0.02483981
15.22185010 -8.78649445 -11.07601855
-0.00079328 0.00075959 -0.00005030
-0.01299434 0.01565714 0.02772691
15.91524911 -7.00562397 -8.79262950
-0.00059404 0.00060740 0.00009975
0.04190259 0.05125650 0.00601400
7.46245859 -5.60165829 8.87101903
-0.00048692 -0.00000121 0.00024472
-0.03325596 0.01206379 0.01635673
9.49458841 -5.34890631 6.98923100
-0.00110735 -0.00017476 0.00081152
0.00707973 -0.00725638 0.00340667
-20.87064839 2.20532843 20.79534084
0.00048517 0.00064438 0.00016684
0.00668465 0.00582386 -0.03660697
-22.13901610 0.60031683 22.79485741
0.00052609 -0.00052608 0.00077173
0.00491482 0.01821034 0.00724720
26.48420590 -2.64039535 -5.86283112
-0.00036621 -0.00072402 -0.00020899
0.00143083 0.00145835 -0.00088869
25.57268729 -1.34982728 -8.28376178
-0.00089505 0.00009197 -0.00017125
0.00109245 0.00440909 -0.00099780
9.20274264 -15.73684610 -7.66434812
0.00040841 -0.00024950 0.00011787
-0.01634616 -0.02340953 -0.00153331
8.60744278 -13.00908270 -6.85351343
-0.00025772 0.00053307 -0.00051498
-0.00354019 0.00721313 0.00214884
-5.23832729 -10.74958378 17.83708632
-0.00076989 -0.00052882 -0.00061330
0.00134865 0.00152235 0.00464130
-6.33046689 -10.87557027 15.17041728
-0.00143204 0.00004631 0.00048859
-0.00677323 0.00902808 -0.01252426
9.89089043 2.79489036 -30.25449503
-0.00061476 -0.00077411 0.00144951
-0.00914020 -0.00109049 0.00655331
6.96922327 2.40300019 -30.45182168
-0.00061706 0.00080407 -0.00121213
-0.00063954 0.00712103 0.00382639
12.38029899 14.75575639 14.23119549
0.00014385 -0.00061496 0.00064153
0.01321968 -0.00118364 0.00638347
11.33704127 16.33990355 16.88433745
-0.00077603 -0.00008343 -0.00079572
0.00815749 -0.01888858 -0.02844486
28.60356998 5.12989788 -4.46582687
0.00100349 -0.00035546 0.00009210
-0.00421406 -0.00127059 -0.01035968
26.69016708 7.01021130 -3.05885528
-0.00029092 -0.00015465 0.00008882
0.00929548 -0.00952458 -0.01208158
-9.98001715 4.91017239 6.98775557
-0.00000086 0.00010365 -0.00000892
0.00383564 -0.01301503 -0.01267036
-8.63572212 13.19488161 2.54384038
-0.00006874 0.00008447 0.00008574
0.00388704 0.00061812 -0.00267106
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09430991
0.30387162
404.89369619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4015266717 (a.u.)
total exchange computation time: 2.7053608894 s
-154.3763079964
-931.39659781
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4009705660 (a.u.)
total exchange computation time: 2.7011730671 s
-154.3819637164
Anderson extrapolation: theta=1.3585942806 (1.3585942806)
-931.39684142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4001401608 (a.u.)
total exchange computation time: 2.7020800114 s
-154.3901775646
Anderson extrapolation: theta=0.0592247054 (0.0592247054)
-931.39699004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4000331216 (a.u.)
total exchange computation time: 2.7071690559 s
-154.3911329158
Anderson extrapolation: theta=2.0284864542 (2.0000000000)
-931.39699654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3998073040 (a.u.)
total exchange computation time: 2.7013640404 s
-154.3931032543
Anderson extrapolation: theta=0.2546909154 (0.2546909154)
-931.39700366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3997532873 (a.u.)
total exchange computation time: 2.7032129765 s
-154.3935376080
Anderson extrapolation: theta=1.6427378459 (1.6427378459)
-931.39700504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3996873786 (a.u.)
total exchange computation time: 2.7010741234 s
-154.3940254508
Anderson extrapolation: theta=0.3044280382 (0.3044280382)
-931.39700634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3996894970 (a.u.)
total exchange computation time: 2.7014830112 s
-154.3939630423
Anderson extrapolation: theta=1.2004214901 (1.2004214901)
-931.39700661
-28.043773 23.604738 54.522694
558.872019 1032.692235 -412.347681
530.828246 1056.296973 -357.824987
1235.143977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3997077377 (a.u.)
total exchange computation time: 2.7047498226 s
679.30282822
-1084.61287720
89.80406805
-388.56759693
-174.92372110
78.77099975
551.60419304
0.00000000
-931.39700670
3.88453007 -30.93499553 -2.26833300
0.00005016 0.00037756 -0.00013258
0.00801999 -0.00478816 0.01669659
-11.98621726 -2.25271533 -9.08143637
0.00034735 0.00009974 -0.00010685
-0.00690671 0.02032712 -0.03537957
-37.38462974 2.31793190 -0.14323766
-0.00009658 0.00025153 0.00014642
0.02901276 -0.02523763 -0.01198219
-11.35442096 -3.93180939 3.86369348
-0.00034109 -0.00002134 0.00002451
-0.01495925 0.05063655 0.00976739
4.79333763 -3.81818084 9.64152737
-0.00023303 -0.00000777 -0.00028522
-0.00508720 0.00428791 -0.00474264
-32.00359941 -1.20834389 -0.73490130
0.00031061 0.00030542 0.00017420
-0.03545650 0.03872046 0.00772779
15.22830325 12.53668488 -14.10400978
-0.00040572 0.00001071 0.00025833
0.01222501 0.00772923 -0.03651491
-7.71987840 5.72899404 2.39377827
-0.00004893 0.00024179 0.00001029
-0.01694916 0.02914745 0.05813495
7.30177417 12.46314880 -5.50221658
0.00029045 0.00014214 0.00003394
0.00872932 0.02766686 -0.04412941
9.01701461 9.71440032 -19.14382528
-0.00012502 0.00027764 0.00012103
-0.04067410 -0.01244490 -0.00492647
23.10631933 17.55221142 -2.09379317
0.00040501 -0.00036567 -0.00011374
0.02621341 -0.00941122 0.00478202
2.15289096 16.94000185 -18.99529650
0.00003853 -0.00009861 -0.00024953
0.00127654 0.03781820 -0.04900446
14.08035677 -1.56602842 -5.30567566
-0.00006166 0.00025816 0.00006563
0.01825984 0.01406625 0.01236910
-16.13115415 -1.95989626 3.43978807
-0.00003627 0.00019982 -0.00032499
-0.02394280 -0.00981474 0.00315145
-17.09288736 -1.66599422 19.51822434
0.00016668 -0.00014030 -0.00017763
0.04041799 -0.01211228 0.01568401
0.17996504 2.21792748 -5.24613015
0.00025080 -0.00014883 0.00012817
-0.00856686 -0.02765970 0.01263149
22.26025207 -7.15723065 -8.98004438
0.00004433 -0.00005769 -0.00003967
-0.03185519 0.01646098 -0.00833019
-0.43180850 -6.50625758 7.24239454
0.00000527 0.00017564 0.00000248
-0.00355641 0.01098345 0.00860381
-1.96921732 -1.57483685 -19.24776277
0.00011403 0.00014865 -0.00015522
-0.01857118 0.02441589 -0.00098074
3.45402953 2.31711003 -9.30174760
-0.00021212 -0.00009826 0.00005347
-0.01504218 0.00994584 -0.02584821
-3.60287548 18.17603083 12.07112188
-0.00006646 -0.00032962 0.00019157
-0.01901131 -0.00530926 -0.04546668
-3.56478315 4.97936742 -11.47123718
-0.00032563 0.00010282 0.00062018
-0.00051483 -0.01050017 -0.05738999
-8.28350841 3.37653534 -8.90374204
0.00022369 -0.00030917 -0.00008658
-0.02963252 -0.02769687 0.03436283
1.69239812 27.19718328 8.37949375
0.00046265 0.00033518 0.00004318
0.02662125 -0.00406240 -0.01560781
10.18092288 -6.16538450 -2.03340765
-0.00024104 -0.00002870 -0.00009578
-0.00026401 -0.00416996 0.02632972
-8.88826386 0.45409151 5.79804080
0.00026557 0.00021625 0.00013509
-0.02919182 -0.00944744 0.03156344
20.56425043 10.68187607 8.76591123
-0.00017886 -0.00015270 0.00009682
-0.00907609 0.02701813 0.00501077
-2.94920385 -2.17540504 -27.11890389
0.00035116 -0.00003122 -0.00008852
0.02785673 0.01339899 -0.01879981
-14.26595318 5.98668045 7.30964165
-0.00009120 0.00021649 0.00030725
0.00105808 0.00343142 0.00283930
-10.04461327 7.08770071 -2.71758262
0.00023579 0.00022579 0.00015585
0.00258665 0.00094990 -0.01720054
-1.61484155 -15.85913434 24.29400364
0.00010768 0.00020599 -0.00052463
0.00220688 -0.03106097 -0.01378633
-2.58500287 6.46556500 -6.49608501
0.00014555 -0.00026454 0.00008694
0.01065596 -0.00302115 0.01010379
-20.59954755 31.11675446 4.65287226
0.00062023 -0.00013188 -0.00016803
-0.01972013 0.02222805 0.02236222
7.57648896 -0.02013642 8.19839859
0.00000554 0.00003405 -0.00013893
-0.01708544 0.01469539 -0.03910972
5.41853163 11.19743087 -13.89881156
0.00015864 0.00016283 -0.00016940
-0.03248435 0.01753332 -0.03535322
16.01203730 3.36766185 -1.93425799
-0.00042057 -0.00042475 -0.00011876
0.00427288 -0.03025618 0.00025621
-3.99132785 13.60676597 -1.38924906
-0.00025129 0.00011771 0.00032602
0.01246532 -0.00619789 -0.00457411
4.57602033 12.84831584 3.34462378
-0.00022295 -0.00018946 -0.00005629
0.05030274 0.05274780 -0.01333172
24.81096541 -11.86595287 -9.44429322
0.00003975 0.00004549 -0.00014486
-0.00661502 0.01996553 -0.00450545
16.48727644 -3.98473700 -0.29190730
-0.00019560 -0.00009668 -0.00022142
0.00115018 0.02050382 0.00832456
12.86854409 7.90811044 9.76928401
0.00016758 -0.00004759 0.00011520
-0.01477097 0.00137831 0.02175595
1.90258677 -13.72085974 17.72823486
-0.00023569 -0.00029785 -0.00005886
-0.01448388 0.02914858 0.00126154
-4.42390837 -0.53333842 -14.71326078
-0.00014145 -0.00025495 0.00030515
0.02883052 -0.01545889 -0.01518469
14.89195110 -8.32116059 -9.20493435
0.00015786 0.00036790 0.00026354
-0.02490760 -0.06841359 -0.04252917
9.01378979 -6.37847321 8.44887502
-0.00018650 -0.00041488 0.00011817
0.02054906 -0.00952012 -0.01264807
-21.33218011 2.26474648 22.50510434
-0.00006405 -0.00001537 0.00014066
-0.01489960 -0.02463085 0.03117676
25.85692828 -3.00402191 -7.56044269
0.00006822 -0.00026279 -0.00038745
-0.00826331 -0.00300147 -0.00036327
9.87878732 -14.08130062 -7.58505090
-0.00014737 -0.00018596 -0.00012389
0.01928498 0.02448144 -0.00579420
-6.05241251 -11.88947425 16.65463383
-0.00041295 -0.00047008 0.00020197
0.00053881 -0.01431659 0.00989458
8.26941745 3.40418899 -29.59406114
0.00003271 0.00017447 0.00025235
0.00198786 -0.01319002 -0.01014848
11.06937537 15.74222823 15.10054162
-0.00007662 -0.00006533 0.00015334
-0.03164247 0.00014744 0.02952388
28.36402621 6.16437814 -3.00496945
0.00028673 -0.00028389 -0.00008832
-0.00721772 0.01421334 0.01767670
5.30361020 -31.54379332 -3.36013854
-0.00011013 0.00017459 0.00004787
-0.00647662 0.00764324 0.00351184
4.39145856 -31.27953648 -0.51236472
-0.00039008 -0.00073888 -0.00002659
-0.00877374 0.00019839 -0.01193471
-11.96227454 -4.02727363 -8.70904304
0.00064923 0.00049051 0.00043594
0.00155509 -0.01532595 0.01325342
-12.40383809 -2.35201098 -10.88784423
-0.00040670 0.00016337 0.00043230
0.00352782 0.01008201 0.01504467
-38.48776938 2.02817843 1.20258322
-0.00082918 0.00028604 -0.00048706
-0.02049237 -0.00377075 0.02729343
-37.81162887 3.88693197 -0.94594924
0.00000802 0.00069662 -0.00024940
-0.00620863 0.02351303 -0.00983185
-10.87526863 -5.53976571 3.40801314
-0.00013462 0.00029342 -0.00024538
0.02383312 -0.05381572 -0.01121186
-9.84420949 -2.87561569 3.77314383
-0.00039091 -0.00062763 -0.00053243
-0.00709691 -0.00027529 0.00303998
5.69856619 -2.18367478 9.42462652
-0.00084921 -0.00080190 -0.00084515
-0.00788190 -0.01227264 0.00330021
4.10013301 -3.83731788 11.33934290
0.00037678 0.00115982 -0.00032572
0.00902394 -0.00076382 -0.00139181
-33.51261668 -2.24185333 -0.49819981
0.00068579 0.00007722 -0.00073039
0.00790030 0.00473927 -0.00054162
-32.66260947 0.54866301 -0.42038045
0.00043898 0.00083867 0.00045661
0.01076926 -0.03012216 0.00098251
14.87306663 13.26838905 -15.90562715
0.00037930 -0.00028041 -0.00104214
0.00358559 -0.01731827 0.03983188
16.99826885 11.94659208 -14.17298164
-0.00159577 0.00082563 0.00063352
-0.01728362 0.00022436 -0.00098742
-8.16532628 7.09690087 1.33939736
-0.00050828 0.00002390 0.00006287
-0.00878054 0.01844172 -0.01009765
-6.94081466 4.63918016 1.29439104
-0.00004399 -0.00012143 0.00020359
0.02424637 -0.04626684 -0.03739388
6.11222111 12.70693107 -6.95075940
0.00002571 -0.00005314 0.00003535
0.01245641 -0.00936271 0.02112562
8.66393002 13.78381302 -6.01275390
0.00010723 -0.00003226 -0.00066158
-0.01347758 -0.02216715 0.00559113
9.00923619 9.16274022 -20.89627506
-0.00036027 -0.00006721 0.00060112
0.00998192 0.00054606 0.00854712
10.68232912 10.00765775 -18.57818980
-0.00001276 -0.00015961 -0.00060964
0.02562090 0.01131355 -0.00584546
24.51228808 16.25048200 -2.41404618
-0.00029478 -0.00096610 -0.00045275
-0.02806380 0.01504915 0.00218750
24.02374046 19.15060043 -2.12331374
0.00010042 -0.00080575 -0.00006222
0.00472953 -0.00643702 -0.00434447
2.13696526 17.62511286 -20.81439260
0.00022658 -0.00020935 -0.00093531
-0.01441482 -0.01570186 0.03444021
3.43136720 15.64705639 -19.11942210
0.00010470 -0.00107458 -0.00065091
0.00010759 -0.02219001 0.00684746
13.40020789 -2.37820369 -6.75934962
-0.00047780 0.00076833 -0.00038972
-0.01893499 0.00438984 -0.01092331
12.81089095 -0.87053942 -4.16228649
0.00048117 0.00020738 0.00041913
-0.00064235 -0.01611527 -0.01219754
-17.35270115 -3.37084668 3.62734520
0.00057626 0.00071313 -0.00048194
-0.00690831 0.02504582 0.00726234
-14.76473067 -2.95616049 2.84919613
0.00019564 0.00029264 0.00016713
0.03249041 0.00254756 -0.00036367
-16.56289089 -0.02464638 20.28444774
0.00024900 -0.00016474 -0.00117680
-0.00342044 -0.00045765 -0.00408779
-15.56213740 -2.68373881 20.01439925
-0.00000705 -0.00055355 -0.00101818
-0.03220538 0.01228234 -0.01323361
-0.93265309 0.75650724 -4.84735904
0.00025619 0.00007357 0.00001281
0.01137979 0.00005031 -0.01251183
-1.05124880 3.50285397 -4.92658017
-0.00000964 -0.00030418 0.00092686
-0.00458403 0.02485171 -0.00489716
22.91951357 -8.80330395 -9.11212487
0.00106995 0.00075553 -0.00031204
0.02059691 -0.02240438 0.00395374
23.36505457 -5.97660464 -8.19808056
0.00090830 -0.00043421 -0.00028067
0.01817193 0.00654938 0.00924526
0.71086270 -5.79732453 5.98114552
-0.00006410 -0.00023941 -0.00076294
-0.00319048 -0.00835098 -0.00295218
-0.30614804 -5.27129582 8.58835876
-0.00060790 0.00012990 -0.00009954
-0.00090801 -0.00740981 0.00210957
-1.10490942 -3.05947044 -18.82761320
0.00071723 -0.00002966 0.00097692
0.01976814 -0.02816709 0.00536673
-3.51785452 -2.18292690 -20.02875746
0.00045030 0.00101625 -0.00039973
-0.00359372 -0.00199364 -0.00819524
2.93295114 3.20001153 -10.93826643
0.00036817 -0.00118221 -0.00083619
0.00538114 -0.01844520 0.03484797
2.01164367 2.25456048 -8.09612798
-0.00052754 -0.00030547 0.00009068
0.00795483 0.00882898 -0.00856426
-2.39304742 16.85931090 12.37572147
-0.00028744 0.00020978 0.00063553
0.01294978 -0.00982594 0.00675815
-3.82348776 19.04084921 13.58522840
0.00020921 0.00044111 -0.00062186
0.00264176 0.01934100 0.03832956
-3.87479453 6.12968404 -12.94932488
-0.00096027 0.00100744 -0.00042957
0.00142783 -0.01006994 0.03126747
-3.31911512 3.35412668 -12.42081669
0.00129123 -0.00061040 -0.00008327
-0.00525982 0.01535128 0.01941379
-7.53227668 2.23930434 -7.63071731
-0.00055446 0.00021592 0.00057719
-0.00500401 0.01083831 -0.01757975
-7.01315914 4.10815522 -9.87602774
0.00142217 -0.00003920 -0.00010459
0.03067158 0.01352784 -0.01557983
1.83780235 28.26432080 6.86219177
0.00001970 -0.00067038 0.00023363
0.00559862 -0.00162584 0.01055479
0.07238653 27.53760031 8.99901481
0.00043848 -0.00031661 0.00018538
-0.02708534 0.00582903 0.01246088
11.11316333 -6.50915943 -0.44606477
-0.00057683 -0.00041118 0.00057277
0.00098868 -0.00012576 -0.01427983
8.99741240 -7.56323975 -2.00735767
-0.00046851 -0.00011121 -0.00060116
0.00017250 0.00362246 -0.00656938
-7.24727834 -0.08521731 6.60016597
0.00097876 0.00069485 -0.00058366
-0.00724486 0.00457265 -0.00677948
-10.27546647 -0.12175323 6.98806889
0.00032330 -0.00090321 0.00014383
0.02825312 0.00865561 -0.02540969
21.19554404 10.39345686 10.48526701
0.00066586 0.00035228 -0.00062917
-0.00231014 0.00418539 -0.01302603
20.50927193 12.58037195 8.53360924
-0.00009592 0.00032438 0.00049926
0.01471114 -0.02571956 0.00307875
-1.76655328 -2.96676367 -26.00294785
-0.00051964 0.00060327 -0.00010177
0.01151669 -0.01640541 0.00288074
-4.46187417 -2.24399000 -26.21111777
0.00119535 -0.00026503 -0.00052252
-0.03441903 -0.00044784 0.01459168
-14.74742782 7.15020835 8.63652386
0.00094355 -0.00033610 0.00102340
-0.00283751 -0.00294892 -0.00138649
-14.16329038 7.12933863 5.88505645
-0.00060641 -0.00028673 0.00016072
-0.00575888 0.00126502 -0.00757672
-11.25906731 6.84768157 -4.08682073
0.00067458 -0.00044061 0.00036296
-0.00657857 -0.00426276 0.01139088
-8.92066648 8.09704970 -3.75794407
-0.00012366 -0.00032996 0.00002369
0.01223393 0.00887614 0.00659990
-1.15891557 -17.55598761 23.53350795
-0.00050825 -0.00033190 -0.00019243
0.00830774 0.02331649 0.00777970
-3.39926429 -16.02099348 24.48706165
-0.00168387 0.00003608 0.00008773
-0.01389909 0.00704910 0.00518034
-3.25190584 5.71549844 -7.98918795
-0.00052247 -0.00043350 -0.00003582
0.00253356 -0.00651320 -0.01667612
-3.92948393 7.56419050 -5.97802756
-0.00016210 0.00068852 -0.00027124
-0.01188367 0.01526186 0.00798399
-21.81502039 29.97115549 3.84548869
0.00083237 0.00098385 -0.00091690
-0.00098461 -0.00417176 -0.01815332
-21.84016464 32.17283059 5.62368421
0.00027912 0.00094050 -0.00095763
0.02312423 -0.01476161 -0.00356417
6.86309945 -0.19694641 6.41525902
-0.00019977 -0.00007736 -0.00032931
0.01790345 -0.01346900 0.02276090
6.80133828 1.58848497 8.58121414
0.00074998 0.00001104 0.00039723
0.00568545 0.00495182 0.00907500
6.71566068 12.28616259 -13.28000352
-0.00025492 0.00059509 0.00022260
0.01149929 0.01286880 0.00160276
4.59432283 12.25436348 -15.34475826
-0.00042518 -0.00019558 0.00014915
0.02625258 -0.02952326 0.04474715
14.63283758 4.51698436 -2.30692353
0.00005190 -0.00040811 -0.00071783
-0.00962188 -0.00437904 -0.00992799
15.53360561 1.59193042 -2.35301503
-0.00039466 -0.00062520 0.00077688
0.00448906 0.03384307 0.00459329
-2.43494356 13.37865242 -0.46905836
-0.00046893 0.00011189 0.00043059
0.00656612 0.00195866 -0.00725155
-5.19439232 13.31065473 -0.07273639
0.00026386 -0.00015094 0.00055698
-0.02172844 -0.00986315 0.01241466
3.63525315 11.40685921 3.60665521
0.00042685 -0.00063069 0.00035531
-0.03570863 -0.05978569 0.00471800
6.36678375 12.42220770 3.46617496
0.00069860 0.00010605 0.00053216
-0.00416043 -0.00912737 -0.00032518
24.79399365 -13.54549383 -8.82480715
0.00077059 0.00016766 0.00006399
0.00105040 -0.01424648 0.00792087
25.41046587 -11.89149388 -11.17236245
0.00049823 0.00084487 0.00117558
0.00913162 -0.00006778 -0.00731256
14.76475513 -3.72806660 -0.81834554
-0.00073242 -0.00053698 -0.00027286
0.00428044 0.00461525 0.00155600
17.01079551 -5.63164381 -0.81827852
0.00038135 0.00083616 0.00049054
0.00742328 -0.01078802 -0.00691726
11.71254452 7.83429329 11.30998849
-0.00028669 -0.00004521 0.00018551
0.02450613 0.01739612 -0.02732380
13.07893380 9.60979435 9.05109717
-0.00078276 -0.00046587 -0.00009213
-0.00262722 -0.00588160 0.01632886
0.32586199 -14.23135008 16.93812998
-0.00086144 0.00048076 0.00004471
-0.00171125 -0.01273096 0.00014210
1.54700119 -11.91434411 18.03751393
-0.00041284 0.00029012 0.00010949
0.01354648 -0.01726026 0.00256024
-4.45135599 -1.82104562 -13.39026026
0.00044132 0.00002463 -0.00106356
0.00630846 0.00100791 -0.00145202
-3.19988702 -1.15507121 -16.11190385
0.00086155 0.00061640 0.00031446
-0.02823269 0.01637356 0.02571599
15.20955271 -8.77462080 -11.07592347
-0.00084519 0.00082306 0.00006300
-0.01241676 0.01540949 0.02773581
15.90762252 -6.99494231 -8.79094896
-0.00042069 0.00082034 0.00012480
0.04295219 0.05297773 0.00624565
7.45413565 -5.60130671 8.87519102
-0.00061519 0.00004327 0.00031064
-0.02952959 0.00970906 0.01591029
9.47819510 -5.35175008 7.00150824
-0.00107421 -0.00019989 0.00081711
0.00914144 -0.00504525 -0.00067223
-20.86316594 2.21517256 20.79672172
0.00051105 0.00066655 0.00002093
0.00598233 0.00503162 -0.03481933
-22.13097407 0.59298365 22.80665543
0.00054784 -0.00044842 0.00079868
0.00573160 0.01980268 0.00594744
26.47875663 -2.65121103 -5.86599320
-0.00035996 -0.00071687 -0.00021193
0.00162963 0.00204475 -0.00054832
25.55929497 -1.34831261 -8.28636106
-0.00088915 0.00010490 -0.00017206
0.00179699 0.00191975 0.00060164
9.20836790 -15.74130591 -7.66262702
0.00034003 -0.00034654 0.00011204
-0.01712539 -0.02409397 -0.00132110
8.60346852 -13.00086568 -6.86117224
-0.00026842 0.00055779 -0.00050816
-0.00169722 0.00489209 0.00118746
-5.24983436 -10.75746938 17.82802903
-0.00075928 -0.00051625 -0.00058617
0.00384793 0.00462808 0.00864013
-6.35215511 -10.87459898 15.17736233
-0.00145899 0.00008039 0.00043962
-0.00641542 0.00765289 -0.01144597
9.88138897 2.78324530 -30.23255157
-0.00064326 -0.00078148 0.00147239
-0.00481011 -0.00251768 0.00464793
6.95994776 2.41527940 -30.46988640
-0.00061268 0.00083871 -0.00119050
0.00278241 0.00983593 0.00676060
12.38286183 14.74649568 14.24101408
0.00019602 -0.00061778 0.00066838
0.01231866 -0.00019343 0.00675865
11.32565086 16.33807332 16.87152996
-0.00074010 -0.00015681 -0.00090000
0.00943047 -0.01703281 -0.02260089
28.61849312 5.12452704 -4.46476285
0.00098534 -0.00036047 0.00004932
-0.00466656 -0.00118054 -0.01057884
26.68608809 7.00759976 -3.05789317
-0.00024678 -0.00019719 0.00003855
0.01231310 -0.01130052 -0.01252773
-9.98001982 4.91169221 6.98758773
0.00000050 0.00009895 -0.00001345
0.00378882 -0.01324943 -0.01260674
-8.63674641 13.19614974 2.54512186
-0.00006782 0.00008461 0.00008515
0.00398664 0.00059465 -0.00241426
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09429224
0.30271445
403.35183054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4021667482 (a.u.)
total exchange computation time: 2.7053160667 s
-154.3697581532
-931.39675422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4015388824 (a.u.)
total exchange computation time: 2.7011609077 s
-154.3758107428
Anderson extrapolation: theta=1.3375452236 (1.3375452236)
-931.39699439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4005941541 (a.u.)
total exchange computation time: 2.7052159309 s
-154.3845803819
Anderson extrapolation: theta=0.0514560142 (0.0514560142)
-931.39713655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4004630440 (a.u.)
total exchange computation time: 2.6997799873 s
-154.3856221842
Anderson extrapolation: theta=1.8557165842 (1.8557165842)
-931.39714154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4001937638 (a.u.)
total exchange computation time: 2.7007560730 s
-154.3877043702
Anderson extrapolation: theta=0.2263138518 (0.2263138518)
-931.39714616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4001248008 (a.u.)
total exchange computation time: 2.7028858662 s
-154.3881867931
Anderson extrapolation: theta=1.8273769946 (1.8273769946)
-931.39714691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4000181650 (a.u.)
total exchange computation time: 2.6997859478 s
-154.3888742612
Anderson extrapolation: theta=0.2976994464 (0.2976994464)
-931.39714759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4000073690 (a.u.)
total exchange computation time: 2.7011411190 s
-154.3888836448
Anderson extrapolation: theta=1.2663490245 (1.2663490245)
-931.39714770
-28.082119 23.603687 54.493960
558.867883 1032.686005 -412.370526
530.785765 1056.289692 -357.876566
1235.134437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4000106326 (a.u.)
total exchange computation time: 2.7414360046 s
679.30997837
-1084.62203632
89.80108553
-388.56185191
-174.92431269
78.77454315
551.60419304
0.00000000
-931.39714766
3.88531346 -30.92935059 -2.27025722
0.00005423 0.00037493 -0.00012365
0.00779558 -0.00542702 0.01800523
-11.98103370 -2.25114087 -9.08317563
0.00034391 0.00011068 -0.00012435
-0.00644439 0.02221064 -0.03267217
-37.38596646 2.32160753 -0.14108755
-0.00008193 0.00023951 0.00013991
0.02794222 -0.02149891 -0.01334345
-11.35959498 -3.93193415 3.86409880
-0.00034914 0.00000432 0.00002953
-0.01635659 0.04915646 0.00976992
4.78982259 -3.81828092 9.63723085
-0.00023610 -0.00000667 -0.00028792
-0.00685507 0.00001584 -0.00578043
-31.99907703 -1.20361321 -0.73225853
0.00029284 0.00032618 0.00017816
-0.03366337 0.04201637 0.00766239
15.22226457 12.53687533 -14.10027567
-0.00040176 0.00001580 0.00023870
0.00316930 0.01207333 -0.03981934
-7.72067770 5.73273337 2.39415680
-0.00005727 0.00025630 0.00003991
-0.01550807 0.02727011 0.05707266
7.30616464 12.46538761 -5.50187775
0.00029470 0.00015623 0.00001105
0.00778999 0.02711080 -0.04486390
9.01498239 9.71851698 -19.14202884
-0.00014610 0.00027140 0.00011901
-0.04127586 -0.01182839 -0.00293089
23.11249565 17.54669013 -2.09548086
0.00041771 -0.00037128 -0.00011125
0.02317033 -0.01243205 0.00490463
2.15347377 16.93866863 -18.99922854
0.00004015 -0.00007999 -0.00027539
0.00503995 0.03457450 -0.05153983
14.07950226 -1.56210178 -5.30464345
-0.00005223 0.00026488 0.00007116
0.01843694 0.01207874 0.00913434
-16.13179054 -1.95693681 3.43492533
-0.00004769 0.00019570 -0.00032347
-0.02047836 -0.00620005 0.00278815
-17.09023131 -1.66814541 19.51562042
0.00018698 -0.00014691 -0.00017009
0.03852484 -0.01359640 0.01361999
0.18369405 2.21558830 -5.24415895
0.00024616 -0.00016241 0.00013467
-0.00950523 -0.02513653 0.01267291
22.26079419 -7.15803253 -8.98067155
0.00002834 -0.00004845 -0.00004348
-0.03035173 0.01948028 -0.00647157
-0.43174321 -6.50358068 7.24246486
0.00000360 0.00018111 0.00000626
-0.00292662 0.01029441 0.00610150
-1.96757846 -1.57251290 -19.25009492
0.00010624 0.00016026 -0.00015487
-0.01171846 0.02071075 0.00235400
3.45078971 2.31567444 -9.30104523
-0.00021989 -0.00009335 0.00004028
-0.01515888 0.00917579 -0.02543105
-3.60394570 18.17106598 12.07382001
-0.00007670 -0.00033215 0.00016758
-0.02082303 -0.00450078 -0.04779579
-3.56966954 4.98086919 -11.46215587
-0.00032588 0.00009728 0.00058839
-0.00046873 -0.01103286 -0.06622472
-8.28026730 3.37179090 -8.90490816
0.00021003 -0.00032203 -0.00007062
-0.02350587 -0.02231580 0.02769431
1.69944052 27.20219531 8.38008123
0.00047615 0.00033225 0.00003629
0.02588092 -0.00731298 -0.01117577
10.17730628 -6.16583113 -2.03474281
-0.00024109 -0.00003125 -0.00008162
0.00006727 -0.00574496 0.02874078
-8.88439288 0.45729889 5.80018897
0.00025055 0.00021128 0.00015140
-0.02923268 -0.00988965 0.03182549
20.56153253 10.67968978 8.76738285
-0.00018370 -0.00013800 0.00009865
-0.00972915 0.03014289 0.00212861
-2.94382907 -2.17582164 -27.12030419
0.00036610 -0.00002360 -0.00010007
0.03026831 0.01623600 -0.02611887
-14.26731713 5.98994098 7.31426135
-0.00009056 0.00021764 0.00030892
0.00145498 0.00106768 0.00365865
-10.04106650 7.09109119 -2.71531118
0.00023701 0.00022584 0.00014781
0.00217330 -0.00075098 -0.01405601
-1.61321788 -15.85616437 24.28608097
0.00010501 0.00018958 -0.00053131
-0.01259078 -0.03273944 -0.01218618
-2.58277846 6.46158519 -6.49474192
0.00014954 -0.00026556 0.00009184
0.00482671 -0.00093777 0.00893185
-20.59032012 31.11486196 4.65043807
0.00061021 -0.00011952 -0.00015608
-0.01926825 0.02583913 0.02411561
7.57650617 -0.01956900 8.19616383
-0.00000309 0.00004109 -0.00015927
-0.01647687 0.01268012 -0.04001538
5.42078600 11.19994101 -13.90148896
0.00014222 0.00017179 -0.00018714
-0.03138947 0.01728420 -0.03362566
16.00574530 3.36117386 -1.93603836
-0.00041802 -0.00044042 -0.00011840
0.00563055 -0.03067919 0.00112331
-3.99504918 13.60850778 -1.38437634
-0.00024493 0.00011453 0.00032358
0.01229572 -0.00619898 -0.00492135
4.57287004 12.84567734 3.34372800
-0.00019595 -0.00016313 -0.00006305
0.05471835 0.04967616 -0.01296835
24.81153619 -11.86519357 -9.44648355
0.00003568 0.00005587 -0.00014513
-0.00924364 0.02040222 0.00345498
16.48434686 -3.98610807 -0.29519648
-0.00019636 -0.00008428 -0.00021686
-0.00409330 0.02770967 0.00941443
12.87100084 7.90740184 9.77109594
0.00015965 -0.00004750 0.00012693
-0.01607629 -0.00099271 0.02386724
1.89899560 -13.72521513 17.72735685
-0.00024378 -0.00028194 -0.00005824
-0.01697726 0.03273017 0.00112879
-4.42591886 -0.53722227 -14.70874206
-0.00012606 -0.00026142 0.00029549
0.03099499 -0.00969265 -0.02238791
14.89422290 -8.31590594 -9.20114530
0.00014510 0.00033297 0.00024205
-0.02471420 -0.06741739 -0.04104198
9.01107151 -6.38473313 8.45059872
-0.00017765 -0.00041970 0.00011296
0.01386423 -0.00921455 -0.00758742
-21.33319839 2.26442090 22.50733450
-0.00007157 -0.00002814 0.00015618
-0.01432250 -0.02502668 0.02919152
25.85791968 -3.00797535 -7.56625591
0.00006378 -0.00026378 -0.00038811
-0.00900751 -0.00085203 -0.00217501
9.87665120 -14.08399564 -7.58693160
-0.00013779 -0.00017280 -0.00012670
0.01793834 0.02670230 -0.00513649
-6.05860473 -11.89658069 16.65770154
-0.00041340 -0.00047780 0.00020560
-0.00225863 -0.01568349 0.00423300
8.26991578 3.40675522 -29.59031508
0.00003165 0.00016743 0.00024692
-0.00612956 -0.01421900 -0.01096069
11.06810407 15.74124888 15.10295555
-0.00009285 -0.00006603 0.00016656
-0.03150441 -0.00289388 0.02191131
28.36829936 6.16017458 -3.00622613
0.00028241 -0.00027623 -0.00007922
-0.00957564 0.01557306 0.01774238
5.30175977 -31.54094026 -3.35931288
-0.00013547 0.00020537 0.00006127
-0.00592767 0.00742562 0.00304709
4.38533849 -31.29061366 -0.51312935
-0.00042638 -0.00073699 -0.00007710
-0.00899533 0.00072972 -0.01278689
-11.95248841 -4.02038566 -8.70209777
0.00065539 0.00042439 0.00048970
0.00145892 -0.01703665 0.01306291
-12.40983044 -2.34925155 -10.88089875
-0.00039318 0.00020374 0.00048844
0.00308849 0.00968207 0.01243867
-38.50083501 2.03235349 1.19611369
-0.00091266 0.00027048 -0.00037663
-0.02037090 -0.00384594 0.02676035
-37.81169879 3.89810182 -0.94999151
-0.00001523 0.00078499 -0.00028596
-0.00517391 0.01974529 -0.00806411
-10.87655759 -5.53701342 3.40398895
-0.00003829 0.00007242 -0.00029108
0.02332116 -0.05436822 -0.01115909
-9.85029062 -2.88503853 3.76525047
-0.00041590 -0.00062444 -0.00051994
-0.00513332 0.00183426 0.00307635
5.68558657 -2.19607932 9.41205044
-0.00087537 -0.00084176 -0.00083361
-0.00492765 -0.00724169 0.00234862
4.10606121 -3.81994404 11.33441450
0.00041140 0.00115517 -0.00032712
0.00792191 -0.00151129 0.00070654
-33.50208776 -2.24054980 -0.50917222
0.00071345 0.00009524 -0.00073175
0.00563912 0.00408001 -0.00012487
-32.65569470 0.56032003 -0.41350115
0.00048340 0.00071001 0.00045988
0.01097073 -0.03285860 0.00061833
14.87886600 13.26365228 -15.92003875
0.00039279 -0.00035270 -0.00087311
0.00301621 -0.01806895 0.04291037
16.97380269 11.95898340 -14.16350907
-0.00164719 0.00081983 0.00062969
-0.00788872 -0.00306103 -0.00088982
-8.17321949 7.09782453 1.34003103
-0.00054387 0.00009900 0.00002048
-0.00864297 0.01831686 -0.01065584
-6.94073159 4.63594091 1.29629907
0.00005205 -0.00030651 0.00005348
0.02276853 -0.04432899 -0.03608896
6.11298843 12.70584707 -6.94958182
0.00007699 -0.00009156 0.00012252
0.01264474 -0.00944378 0.02154652
8.66512548 13.78264992 -6.02250632
0.00005342 -0.00012166 -0.00063800
-0.01286179 -0.02159742 0.00595189
9.00413802 9.16174879 -20.88699631
-0.00032052 -0.00006665 0.00063026
0.00947722 -0.00027212 0.00571363
10.68292279 10.00561029 -18.58751357
0.00009404 -0.00011288 -0.00063182
0.02665725 0.01156017 -0.00500880
24.50700646 16.23645172 -2.42077034
-0.00040745 -0.00090404 -0.00044334
-0.02709002 0.01532785 0.00241653
24.02539165 19.13831687 -2.12438015
0.00012392 -0.00082571 -0.00008046
0.00677246 -0.00333149 -0.00458242
2.13992225 17.62149148 -20.82736690
0.00016730 -0.00027489 -0.00079011
-0.01460400 -0.01637996 0.03663628
3.43294102 15.63025768 -19.12897595
0.00009730 -0.00115681 -0.00062147
-0.00373066 -0.01805934 0.00756521
13.39246068 -2.36654429 -6.76553019
-0.00055305 0.00078912 -0.00042956
-0.01789888 0.00578857 -0.00857601
12.81808875 -0.86792258 -4.15637335
0.00047620 0.00014270 0.00037095
-0.00178902 -0.01554525 -0.01138649
-17.34426895 -3.35938225 3.62033858
0.00054072 0.00080707 -0.00045136
-0.01048742 0.02093656 0.00770768
-14.76080040 -2.95169276 2.85169192
0.00032844 0.00030343 0.00016564
0.03251250 0.00273173 -0.00036447
-16.55926075 -0.02713148 20.26667055
0.00023677 -0.00016377 -0.00119083
-0.00256601 0.00093302 -0.00278098
-15.56322996 -2.69166562 19.99872104
-0.00013637 -0.00050339 -0.00107041
-0.03110142 0.01226889 -0.01233559
-0.92846155 0.75761227 -4.84755036
0.00030162 0.00007102 -0.00003773
0.01085984 -0.00129820 -0.01222547
-1.05153389 3.49905284 -4.91282735
-0.00002534 -0.00020469 0.00090572
-0.00309912 0.02384754 -0.00544826
22.93619399 -8.79265751 -9.11668425
0.00115432 0.00065819 -0.00029746
0.02070305 -0.02524502 0.00317974
23.37923594 -5.98291707 -8.20200729
0.00097890 -0.00040793 -0.00024502
0.01638664 0.00631627 0.00820569
0.70980344 -5.80117163 5.96961089
-0.00007939 -0.00027402 -0.00077098
-0.00429286 -0.00858894 -0.00098369
-0.31529435 -5.26957440 8.58693029
-0.00061032 0.00010164 -0.00009039
-0.00027581 -0.00642383 0.00237226
-1.09354524 -3.06077847 -18.81279496
0.00078893 -0.00013295 0.00099427
0.01532976 -0.02239232 0.00312786
-3.51121020 -2.16774431 -20.03500454
0.00043113 0.00100384 -0.00043497
-0.00578957 -0.00407829 -0.00905668
2.93863862 3.18171316 -10.94974148
0.00038877 -0.00125643 -0.00069244
0.00470404 -0.01788700 0.03552133
2.00397433 2.25024899 -8.09503022
-0.00049318 -0.00026845 0.00005354
0.00886485 0.00929307 -0.00961681
-2.39696214 16.86215644 12.38546150
-0.00023017 0.00016496 0.00066404
0.01508064 -0.01211374 0.00719911
-3.82026872 19.04805855 13.57707503
0.00021925 0.00052314 -0.00046152
0.00227500 0.02081242 0.04015815
-3.88915487 6.14448706 -12.95481030
-0.00095112 0.00095533 -0.00028972
0.00305105 -0.01543762 0.03718956
-3.29990783 3.34544111 -12.42147085
0.00126640 -0.00053571 0.00000170
-0.00689575 0.02120833 0.02218152
-7.54074692 2.24287531 -7.62259822
-0.00057270 0.00025812 0.00050714
-0.00392220 0.00981556 -0.01671006
-6.99088677 4.10798182 -9.87807397
0.00153287 0.00000706 -0.00015647
0.02351623 0.00911644 -0.00981807
1.83826947 28.25421526 6.86601969
0.00004312 -0.00067091 0.00026815
0.00586277 0.00136473 0.00634090
0.07813370 27.53302985 9.00217732
0.00032826 -0.00029251 0.00023594
-0.02686760 0.00596450 0.01229195
11.10454120 -6.51533099 -0.43791078
-0.00057563 -0.00041075 0.00050945
-0.00040074 0.00033801 -0.01671423
8.99039001 -7.56479695 -2.01657631
-0.00046580 -0.00009408 -0.00062774
0.00115628 0.00476483 -0.00644271
-7.23281902 -0.07465437 6.59120332
0.00094625 0.00071294 -0.00061070
-0.00866876 0.00428028 -0.00645447
-10.26975123 -0.13503608 6.98944776
0.00044127 -0.00086625 0.00003896
0.02949578 0.00943585 -0.02592719
21.20546109 10.39886930 10.47543031
0.00065860 0.00036700 -0.00067570
-0.00124172 0.00302212 -0.00974967
20.50828394 12.58444950 8.54119253
-0.00003667 0.00021494 0.00051078
0.01429259 -0.02785314 0.00256124
-1.77399503 -2.95821738 -26.00438610
-0.00046215 0.00053039 -0.00008241
0.01662738 -0.01926892 0.00659319
-4.44499865 -2.24797913 -26.21850848
0.00103874 -0.00026672 -0.00045533
-0.04224093 -0.00038244 0.01830020
-14.73336145 7.14507642 8.65183241
0.00093161 -0.00034636 0.00101720
-0.00300700 -0.00207015 -0.00164980
-14.17256301 7.12507650 5.88723512
-0.00063023 -0.00027864 0.00012895
-0.00590341 0.00269324 -0.00797737
-11.24915025 6.84094174 -4.08102724
0.00064340 -0.00045872 0.00040611
-0.00868242 -0.00460115 0.00972980
-8.92214645 8.09237228 -3.75738654
-0.00006901 -0.00028949 0.00004740
0.01451854 0.01093218 0.00500934
-1.16628473 -17.56025166 23.53085983
-0.00047440 -0.00023505 -0.00016022
0.00826195 0.02409559 0.00799042
-3.42494817 -16.02023633 24.48853630
-0.00171033 0.00006746 0.00010540
0.00094389 0.00831475 0.00346839
-3.25966528 5.70879633 -7.99023619
-0.00050891 -0.00045701 -0.00009775
0.00410353 -0.00499651 -0.01364091
-3.93227951 7.57498595 -5.98185151
-0.00020221 0.00074398 -0.00024182
-0.00775313 0.01188710 0.00641951
-21.80256497 29.98578548 3.83117897
0.00082456 0.00096239 -0.00099289
-0.00284129 -0.00633701 -0.01904424
-21.83526927 32.18648570 5.60921059
0.00037617 0.00087677 -0.00097349
0.02438191 -0.01643060 -0.00420133
6.86065150 -0.19851953 6.41101684
-0.00012615 -0.00013074 -0.00023410
0.01813209 -0.01266044 0.02384721
6.81276218 1.58880230 8.58745064
0.00077162 0.00003365 0.00043353
0.00491025 0.00611490 0.00869745
6.71218921 12.29548322 -13.27661547
-0.00020978 0.00064647 0.00022753
0.01059768 0.01228381 0.00081407
4.58874959 12.25052511 -15.34114981
-0.00031812 -0.00031416 0.00033024
0.02615562 -0.02852371 0.04389500
14.63332126 4.51072845 -2.31799523
0.00001042 -0.00042438 -0.00075845
-0.01068438 -0.00358057 -0.00995646
15.52782334 1.58358952 -2.34122101
-0.00037678 -0.00048777 0.00079466
0.00425884 0.03342924 0.00410728
-2.44177633 13.38039084 -0.46282172
-0.00043938 0.00011972 0.00040120
0.00789787 0.00187359 -0.00713287
-5.19110026 13.30808841 -0.06400125
0.00017326 -0.00019085 0.00060773
-0.02262251 -0.00967159 0.01242717
3.64056162 11.39556691 3.61212949
0.00028351 -0.00087160 0.00037420
-0.03445532 -0.05814346 0.00452590
6.37713529 12.42351883 3.47414732
0.00067021 0.00007170 0.00052971
-0.00973984 -0.00768966 -0.00087363
24.80558463 -13.54341555 -8.82360452
0.00077499 0.00010950 0.00009601
0.00110641 -0.01422164 0.00775188
25.41821911 -11.87882284 -11.15495279
0.00054078 0.00084333 0.00112980
0.01169985 -0.00069001 -0.01509875
14.75389999 -3.73597990 -0.82239080
-0.00070738 -0.00051967 -0.00026478
0.00797697 0.00386052 0.00240248
17.01674324 -5.61943200 -0.81113246
0.00041488 0.00077878 0.00045808
0.00899020 -0.01729859 -0.00897111
11.70899506 7.83414823 11.31193386
-0.00018495 0.00002531 0.00007227
0.02529616 0.01712108 -0.02811026
13.06711187 9.60262600 9.05021559
-0.00079249 -0.00048459 -0.00002776
-0.00213263 -0.00327962 0.01518286
0.31288798 -14.22452885 16.93880493
-0.00086486 0.00042840 0.00004645
0.00003565 -0.01289883 0.00071020
1.54122365 -11.91052128 18.03923473
-0.00035529 0.00021246 0.00011895
0.01462730 -0.02075055 0.00206918
-4.44454295 -1.82064522 -13.40625820
0.00046563 0.00001694 -0.00105641
0.00559605 -0.00477558 0.00495276
-3.18782898 -1.14532349 -16.10639893
0.00074352 0.00068366 0.00042018
-0.02953989 0.01654913 0.02603451
15.19649435 -8.76180277 -11.07412857
-0.00089447 0.00088513 0.00017509
-0.01170722 0.01497717 0.02713522
15.90262830 -6.98101385 -8.78888565
-0.00024726 0.00103484 0.00014901
0.04194336 0.05202267 0.00560825
7.44400296 -5.60036010 8.88033810
-0.00072632 0.00007730 0.00037404
-0.02487117 0.00694529 0.01512870
9.46236203 -5.35490304 7.01374429
-0.00103283 -0.00021563 0.00080580
0.01111683 -0.00265997 -0.00486447
-20.85531685 2.22532506 20.79596866
0.00053318 0.00068543 -0.00011473
0.00484740 0.00420784 -0.03158416
-22.12258077 0.58686410 22.81881794
0.00057239 -0.00036538 0.00082042
0.00628336 0.02085040 0.00469407
26.47340724 -2.66190140 -5.86918887
-0.00035293 -0.00070737 -0.00021349
0.00180895 0.00260640 -0.00021919
25.54601278 -1.34668029 -8.28892347
-0.00088031 0.00010756 -0.00016637
0.00253210 -0.00061754 0.00218091
9.21294361 -15.74724234 -7.66098689
0.00026934 -0.00044428 0.00010715
-0.01747661 -0.02375036 -0.00107246
8.59939024 -12.99234886 -6.86875827
-0.00027141 0.00057283 -0.00050530
0.00023488 0.00246751 0.00021161
-5.26110560 -10.76507134 17.81950125
-0.00073854 -0.00049107 -0.00054296
0.00630198 0.00769752 0.01251342
-6.37423650 -10.87315868 15.18360590
-0.00148416 0.00010820 0.00039598
-0.00590858 0.00596150 -0.00991708
9.87159271 2.77144594 -30.21032325
-0.00065369 -0.00079509 0.00148746
-0.00029502 -0.00414299 0.00272838
6.95084276 2.42816141 -30.48753680
-0.00059484 0.00088376 -0.00115716
0.00595005 0.01221532 0.00956380
12.38617964 14.73722311 14.25124687
0.00024400 -0.00061620 0.00069684
0.01116916 0.00096648 0.00717380
11.31483841 16.33519922 16.85733735
-0.00069891 -0.00022177 -0.00097829
0.01073085 -0.01476289 -0.01572042
28.63313027 5.11908385 -4.46434717
0.00096537 -0.00036469 0.00000636
-0.00511260 -0.00088805 -0.01044971
26.68276373 7.00429565 -3.05769883
-0.00019127 -0.00024638 -0.00001341
0.01485745 -0.01277775 -0.01290826
-9.98000215 4.91314089 6.98735220
0.00000185 0.00009417 -0.00001795
0.00373142 -0.01346893 -0.01255553
-8.63775682 13.19741994 2.54639494
-0.00006689 0.00008474 0.00008462
0.00407403 0.00055186 -0.00219655
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09432126
0.30282640
403.50099475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4023700320 (a.u.)
total exchange computation time: 2.5905721188 s
-154.3624880307
-931.39882570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4017163018 (a.u.)
total exchange computation time: 2.5914878845 s
-154.3687350958
Anderson extrapolation: theta=1.3533612013 (1.3533612013)
-931.39907062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4007184243 (a.u.)
total exchange computation time: 2.5909409523 s
-154.3778940445
Anderson extrapolation: theta=0.0581607275 (0.0581607275)
-931.39922097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4005723285 (a.u.)
total exchange computation time: 2.5924749374 s
-154.3790354572
Anderson extrapolation: theta=2.0639271131 (2.0000000000)
-931.39922825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4002560608 (a.u.)
total exchange computation time: 2.5911099911 s
-154.3814423509
Anderson extrapolation: theta=0.2885505375 (0.2885505375)
-931.39923755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4001630871 (a.u.)
total exchange computation time: 2.5902810097 s
-154.3820945322
Anderson extrapolation: theta=1.5959675678 (1.5959675678)
-931.39923997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4000416332 (a.u.)
total exchange computation time: 2.5914309025 s
-154.3828842454
Anderson extrapolation: theta=0.3490471041 (0.3490471041)
-931.39924291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4000276740 (a.u.)
total exchange computation time: 2.5925710201 s
-154.3829103245
Anderson extrapolation: theta=1.1331791488 (1.1331791488)
-931.39924380
-28.116805 23.594590 54.478597
558.866187 1032.677252 -412.389740
530.749381 1056.271842 -357.911144
1235.113556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4000343510 (a.u.)
total exchange computation time: 2.5913050175 s
679.30297569
-1084.60225245
89.79844437
-388.57569165
-174.92268613
78.76299469
551.60419304
0.00000000
-931.39924451
3.88615700 -30.92374752 -2.27204255
0.00005813 0.00037200 -0.00011413
0.00735979 -0.00598587 0.01900432
-11.97589986 -2.24939506 -9.08516694
0.00034076 0.00012242 -0.00014028
-0.00580967 0.02346073 -0.02928187
-37.38708761 2.32511730 -0.13904038
-0.00006810 0.00022947 0.00013292
0.02582947 -0.01754730 -0.01385375
-11.36489518 -3.93167968 3.86457950
-0.00035777 0.00002855 0.00003438
-0.01722029 0.04506720 0.00909026
4.78625466 -3.81838087 9.63288973
-0.00024014 -0.00000789 -0.00029112
-0.00886805 -0.00475161 -0.00666157
-31.99481435 -1.19855838 -0.72955664
0.00027610 0.00034845 0.00018204
-0.03140431 0.04455651 0.00745377
15.21625035 12.53715892 -14.09684876
-0.00040270 0.00002309 0.00021752
-0.00683034 0.01626654 -0.04255581
-7.72159664 5.73668307 2.39497562
-0.00006461 0.00026955 0.00006845
-0.01301703 0.02425864 0.05392011
7.31061521 12.46783556 -5.50188504
0.00029850 0.00016992 -0.00001204
0.00698870 0.02615983 -0.04494411
9.01263174 9.72254239 -19.14025501
-0.00016719 0.00026553 0.00011816
-0.04073797 -0.01099761 -0.00035429
23.11885072 17.54107293 -2.09713071
0.00042872 -0.00037837 -0.00010869
0.01963796 -0.01513590 0.00507338
2.15409546 16.93760215 -19.00355819
0.00004368 -0.00006315 -0.00030234
0.00869390 0.03092442 -0.05325123
14.07878999 -1.55808195 -5.30354077
-0.00004271 0.00027050 0.00007487
0.01854993 0.00978536 0.00529532
-16.13258492 -1.95402519 3.43008409
-0.00005707 0.00019346 -0.00032220
-0.01598660 -0.00252971 0.00213004
-17.08727806 -1.67040148 19.51312157
0.00020610 -0.00015417 -0.00016368
0.03582841 -0.01464635 0.01129948
0.18734973 2.21305520 -5.24208997
0.00024100 -0.00017451 0.00014120
-0.01055293 -0.02193222 0.01270701
22.26110215 -7.15868413 -8.98134864
0.00001336 -0.00003788 -0.00004628
-0.02787359 0.02163633 -0.00444343
-0.43170050 -6.50082436 7.24258226
0.00000222 0.00018617 0.00000878
-0.00244135 0.00937552 0.00369888
-1.96603000 -1.57002918 -19.25240892
0.00010204 0.00016977 -0.00015276
-0.00462733 0.01630215 0.00587033
3.44743293 2.31430964 -9.30053905
-0.00022761 -0.00008890 0.00002744
-0.01488537 0.00811073 -0.02452959
-3.60517657 18.16606641 12.07614941
-0.00008786 -0.00033412 0.00014288
-0.02255356 -0.00318717 -0.04826580
-3.57455955 4.98228585 -11.45358545
-0.00032607 0.00009147 0.00055250
-0.00027409 -0.01155635 -0.07335590
-8.27720753 3.36687430 -8.90586063
0.00019960 -0.00033199 -0.00005825
-0.01704633 -0.01641706 0.02039124
1.70668259 27.20715093 8.38058250
0.00048897 0.00032768 0.00003189
0.02396063 -0.01047318 -0.00595567
10.17369019 -6.16632209 -2.03585625
-0.00024101 -0.00003457 -0.00006633
0.00025199 -0.00714288 0.03070592
-8.88074741 0.46042997 5.80258266
0.00023566 0.00020617 0.00016767
-0.02867063 -0.00997694 0.03146735
20.55873957 10.67773604 8.76887088
-0.00018890 -0.00012187 0.00009898
-0.01050913 0.03260497 -0.00085823
-2.93822078 -2.17611299 -27.12190599
0.00038201 -0.00001459 -0.00011511
0.03158604 0.01880678 -0.03236804
-14.26866985 5.99320974 7.31890927
-0.00008971 0.00021763 0.00031098
0.00184292 -0.00111205 0.00434386
-10.03750296 7.09447588 -2.71314818
0.00023808 0.00022506 0.00014139
0.00200144 -0.00228325 -0.01091145
-1.61169134 -15.85344698 24.27806430
0.00009511 0.00017249 -0.00053714
-0.02590798 -0.03372078 -0.01047952
-2.58051682 6.45759815 -6.49332992
0.00015046 -0.00026550 0.00009607
-0.00122914 0.00117140 0.00752654
-20.58124134 31.11316881 4.64818993
0.00060048 -0.00010546 -0.00014336
-0.01856220 0.02882402 0.02533555
7.57639627 -0.01890376 8.19362036
-0.00001136 0.00004713 -0.00017990
-0.01567360 0.01081666 -0.04020699
5.42279821 11.20258448 -13.90442578
0.00012661 0.00018057 -0.00020371
-0.02932468 0.01685308 -0.03079855
15.99949674 3.35444919 -1.93781007
-0.00041480 -0.00045603 -0.00011757
0.00687888 -0.03002760 0.00213365
-3.99867566 13.61020176 -1.37954157
-0.00023880 0.00011130 0.00032111
0.01154712 -0.00633729 -0.00470182
4.57014190 12.84342208 3.34273217
-0.00016723 -0.00013897 -0.00006951
0.05696585 0.04424921 -0.01214763
24.81203567 -11.86427688 -9.44864722
0.00003023 0.00006629 -0.00014131
-0.01193232 0.02011923 0.01140145
16.48138571 -3.98726536 -0.29841303
-0.00019971 -0.00006833 -0.00021177
-0.00894252 0.03432874 0.01037210
12.87333358 7.90668558 9.77309200
0.00015117 -0.00004863 0.00013961
-0.01688241 -0.00342393 0.02544280
1.89527345 -13.72931801 17.72648755
-0.00025312 -0.00026440 -0.00005773
-0.01934852 0.03547697 0.00085156
-4.42769024 -0.54118089 -14.70439606
-0.00010970 -0.00026479 0.00028224
0.03261725 -0.00341236 -0.02914661
14.89630404 -8.31117140 -9.19767288
0.00013291 0.00029927 0.00022168
-0.02266774 -0.06365571 -0.03815064
9.00846019 -6.39106413 8.45226389
-0.00017237 -0.00042431 0.00011042
0.00666187 -0.00870693 -0.00229403
-21.33432715 2.26390224 22.50978986
-0.00007862 -0.00004096 0.00017035
-0.01309354 -0.02481447 0.02590086
25.85884159 -3.01193536 -7.57208590
0.00005895 -0.00026368 -0.00038967
-0.00974445 0.00126307 -0.00390241
9.87465347 -14.08648466 -7.58885192
-0.00012903 -0.00015875 -0.00012919
0.01615303 0.02794621 -0.00454372
-6.06481437 -11.90380813 16.66080191
-0.00041526 -0.00048611 0.00020631
-0.00498826 -0.01664672 -0.00149731
8.27036683 3.40921176 -29.58665357
0.00002649 0.00015998 0.00024111
-0.01393033 -0.01472323 -0.01163538
11.06658973 15.74024720 15.10553851
-0.00010897 -0.00006843 0.00017561
-0.03115853 -0.00641802 0.01325667
28.37249865 6.15609117 -3.00734594
0.00027701 -0.00026800 -0.00007017
-0.01143348 0.01642150 0.01742517
5.29954606 -31.53763210 -3.35830047
-0.00015837 0.00023513 0.00007270
-0.00528107 0.00713768 0.00254627
4.37866712 -31.30164611 -0.51467764
-0.00046330 -0.00073305 -0.00013030
-0.00907765 0.00119938 -0.01325407
-11.94261287 -4.01454181 -8.69435191
0.00066111 0.00035275 0.00054229
0.00134353 -0.01803505 0.01267878
-12.41563350 -2.34589874 -10.87319095
-0.00038176 0.00024232 0.00053293
0.00250243 0.00920344 0.00934015
-38.51514911 2.03629284 1.19128420
-0.00099370 0.00025511 -0.00027069
-0.01929948 -0.00367773 0.02509764
-37.81208580 3.91048177 -0.95452801
-0.00003406 0.00085701 -0.00031477
-0.00404431 0.01550785 -0.00604077
-10.87641729 -5.53759316 3.39928085
0.00005448 -0.00014569 -0.00033506
0.02208745 -0.05239851 -0.01036897
-9.85668636 -2.89434896 3.75754564
-0.00043247 -0.00061250 -0.00050740
-0.00297967 0.00401362 0.00306333
5.67230496 -2.20892768 9.39961831
-0.00088895 -0.00086011 -0.00082632
-0.00171583 -0.00174156 0.00121801
4.11247491 -3.80266283 11.32952941
0.00044152 0.00114750 -0.00031990
0.00682256 -0.00224232 0.00282551
-33.49121325 -2.23899623 -0.52015227
0.00073154 0.00011026 -0.00073141
0.00321930 0.00327209 0.00029281
-32.64810758 0.56996327 -0.40658395
0.00052796 0.00057202 0.00046195
0.01084550 -0.03468725 0.00039415
14.88485023 13.25780814 -15.93182053
0.00040360 -0.00042707 -0.00069589
0.00227764 -0.01833537 0.04383962
16.94885306 11.97118713 -14.15409105
-0.00165814 0.00080010 0.00062622
0.00253009 -0.00659833 -0.00080789
-8.18164239 7.09987077 1.34001165
-0.00057837 0.00017212 -0.00002327
-0.00824562 0.01747541 -0.01075770
-6.93925312 4.62998490 1.29599534
0.00013945 -0.00047990 -0.00008793
0.02001575 -0.04054653 -0.03312927
6.11453069 12.70418430 -6.94708374
0.00012812 -0.00013009 0.00021027
0.01238550 -0.00941899 0.02140567
8.66553270 13.78016319 -6.03189397
0.00000270 -0.00020812 -0.00061318
-0.01196834 -0.02072721 0.00619871
8.99962068 9.16074069 -20.87736740
-0.00028298 -0.00006963 0.00064731
0.00889800 -0.00118815 0.00263588
10.68515017 10.00427131 -18.59714431
0.00020288 -0.00006545 -0.00065121
0.02662204 0.01165547 -0.00448477
24.50006460 16.22336081 -2.42734639
-0.00051532 -0.00084158 -0.00043321
-0.02571373 0.01524606 0.00254383
24.02745791 19.12582914 -2.12572740
0.00015585 -0.00083279 -0.00009959
0.00886143 -0.00013600 -0.00478520
2.14198422 17.61686622 -20.83809589
0.00010739 -0.00034252 -0.00063759
-0.01472164 -0.01672610 0.03802434
3.43428619 15.61235218 -19.13806615
0.00007434 -0.00122200 -0.00058910
-0.00750792 -0.01385495 0.00827801
13.38361652 -2.35453014 -6.77223635
-0.00062357 0.00081593 -0.00045912
-0.01662094 0.00733357 -0.00589565
12.82517691 -0.86625845 -4.15115804
0.00046620 0.00008071 0.00032663
-0.00310412 -0.01480103 -0.01030672
-17.33647949 -3.34663470 3.61380434
0.00049018 0.00088324 -0.00041904
-0.01425220 0.01635282 0.00811534
-14.75487758 -2.94705762 2.85416538
0.00045965 0.00031576 0.00016481
0.03171542 0.00330539 -0.00004262
-16.55578786 -0.02955939 20.24872292
0.00022812 -0.00015697 -0.00119947
-0.00166744 0.00239300 -0.00145168
-15.56622861 -2.69884051 19.98228683
-0.00025963 -0.00045431 -0.00111849
-0.02923510 0.01175632 -0.01119680
-0.92360445 0.75863774 -4.84849092
0.00034442 0.00006262 -0.00008689
0.01008962 -0.00281295 -0.01183777
-1.05200892 3.49671323 -4.89940843
-0.00003422 -0.00011039 0.00088210
-0.00124822 0.02231347 -0.00611523
22.95414322 -8.78355825 -9.12104876
0.00123805 0.00055173 -0.00028588
0.02028364 -0.02686586 0.00248816
23.39442158 -5.98884240 -8.20543112
0.00104125 -0.00038330 -0.00021412
0.01413192 0.00573963 0.00691775
0.70848108 -5.80554511 5.95801597
-0.00009904 -0.00030941 -0.00077098
-0.00532868 -0.00873460 0.00098540
-0.32445757 -5.26824666 8.58564720
-0.00061016 0.00007760 -0.00008001
0.00035285 -0.00534382 0.00270521
-1.08124155 -3.06345884 -18.79778502
0.00084159 -0.00021135 0.00100184
0.01044611 -0.01598418 0.00057536
-3.50492069 -2.15281166 -20.04180666
0.00040341 0.00098311 -0.00047353
-0.00777644 -0.00607033 -0.00981787
2.94461438 3.16231856 -10.95903956
0.00040626 -0.00132767 -0.00054739
0.00385675 -0.01698564 0.03547812
1.99684828 2.24650705 -8.09452185
-0.00045556 -0.00022965 0.00001260
0.00955166 0.00969901 -0.01042353
-2.39995264 16.86425958 12.39564273
-0.00016501 0.00011174 0.00069418
0.01681876 -0.01393417 0.00755324
-3.81691026 19.05654341 13.57138281
0.00022840 0.00060914 -0.00029727
0.00220269 0.02128320 0.04024160
-3.90332823 6.15834396 -12.95801651
-0.00093575 0.00088316 -0.00012813
0.00447451 -0.01989062 0.04190952
-3.28112314 3.33805530 -12.42076558
0.00123495 -0.00043899 0.00009691
-0.00850009 0.02613889 0.02442246
-7.54945754 2.24704783 -7.61550323
-0.00058611 0.00029543 0.00044154
-0.00264457 0.00844844 -0.01540189
-6.96717318 4.10836714 -9.88072191
0.00161324 0.00003489 -0.00018440
0.01582878 0.00450275 -0.00385062
1.83909590 28.24419336 6.87023622
0.00006751 -0.00065895 0.00028481
0.00607539 0.00448978 0.00181411
0.08223426 27.52882493 9.00609315
0.00022145 -0.00026833 0.00028480
-0.02541485 0.00587471 0.01162262
11.09589451 -6.52148184 -0.43078115
-0.00057962 -0.00040860 0.00043703
-0.00155316 0.00071515 -0.01873714
8.98343849 -7.56606213 -2.02618979
-0.00045923 -0.00007249 -0.00065370
0.00206066 0.00580218 -0.00626562
-7.21889097 -0.06382910 6.58184510
0.00090815 0.00072971 -0.00063627
-0.00998078 0.00393091 -0.00606663
-10.26222830 -0.14774064 6.98923764
0.00056286 -0.00082671 -0.00006681
0.03002405 0.00991849 -0.02584869
21.21530205 10.40446695 10.46499608
0.00065603 0.00037687 -0.00070833
-0.00001784 0.00180626 -0.00622630
20.50817189 12.58682005 8.54893279
0.00002072 0.00009826 0.00051995
0.01380041 -0.02925958 0.00192444
-1.78041775 -2.95085201 -26.00542029
-0.00038463 0.00044634 -0.00004841
0.02131724 -0.02187242 0.01005465
-4.43071192 -2.25199170 -26.22477763
0.00085333 -0.00026814 -0.00037473
-0.04852178 -0.00030887 0.02115269
-14.71947937 7.13981762 8.66703985
0.00091901 -0.00035305 0.00100985
-0.00316115 -0.00120733 -0.00194722
-14.18219743 7.12097943 5.88892487
-0.00065465 -0.00026502 0.00009594
-0.00604697 0.00397337 -0.00818092
-11.23976530 6.83391991 -4.07463745
0.00060372 -0.00047817 0.00044227
-0.01073923 -0.00491697 0.00797283
-8.92273664 8.08836486 -3.75652200
-0.00000557 -0.00024103 0.00006477
0.01653401 0.01278990 0.00349471
-1.17314754 -17.56303897 23.52870141
-0.00044062 -0.00013604 -0.00012756
0.00827295 0.02437009 0.00799369
-3.45057422 -16.01896960 24.49022352
-0.00167926 0.00010366 0.00011620
0.01426531 0.00940312 0.00181834
-3.26717323 5.70178800 -7.99212042
-0.00048870 -0.00047395 -0.00014666
0.00578940 -0.00329485 -0.01030262
-3.93555025 7.58650992 -5.98528204
-0.00022521 0.00078524 -0.00021892
-0.00350510 0.00830783 0.00478916
-21.79028368 30.00002709 3.81570211
0.00080962 0.00093267 -0.00107224
-0.00447122 -0.00820763 -0.01980111
-21.82887962 32.19913383 5.59447949
0.00047735 0.00080702 -0.00099125
0.02514568 -0.01771489 -0.00448965
6.85931480 -0.20086856 6.40823617
-0.00005219 -0.00018074 -0.00013569
0.01807225 -0.01181363 0.02432291
6.82448701 1.58949439 8.59422018
0.00079022 0.00006066 0.00046807
0.00419355 0.00710879 0.00820862
6.70936723 12.30555667 -13.27317752
-0.00016917 0.00069461 0.00022883
0.00928079 0.01128266 -0.00018144
4.58477932 12.24493863 -15.33485120
-0.00021263 -0.00042742 0.00050593
0.02548110 -0.02691629 0.04211115
14.63315013 4.50425310 -2.32967712
-0.00003482 -0.00043768 -0.00079903
-0.01145941 -0.00293333 -0.00990708
15.52230208 1.57729738 -2.32917528
-0.00036024 -0.00035389 0.00081010
0.00383804 0.03210476 0.00344957
-2.44812508 13.38224408 -0.45702222
-0.00040459 0.00012721 0.00037237
0.00913560 0.00179156 -0.00698069
-5.18919465 13.30492935 -0.05450450
0.00008031 -0.00022970 0.00065731
-0.02287617 -0.00934531 0.01184217
3.64375845 11.38071123 3.61788115
0.00014841 -0.00110061 0.00039138
-0.03167740 -0.05395666 0.00388271
6.38688992 12.42435869 3.48206615
0.00062019 0.00004299 0.00052498
-0.01474548 -0.00636347 -0.00144040
24.81724341 -13.54220885 -8.82192681
0.00077962 0.00005278 0.00012683
0.00116132 -0.01354200 0.00733595
25.42668938 -11.86619409 -11.13846847
0.00059394 0.00083944 0.00105272
0.01431864 -0.00121341 -0.02263149
14.74353372 -3.74365660 -0.82628882
-0.00066786 -0.00050535 -0.00025342
0.01136885 0.00314859 0.00315789
17.02324193 -5.60828035 -0.80453621
0.00045462 0.00069593 0.00041766
0.01046345 -0.02325644 -0.01081152
11.70699590 7.83505245 11.31215647
-0.00008104 0.00009441 -0.00004275
0.02556871 0.01670651 -0.02819092
13.05515924 9.59525665 9.05026451
-0.00080016 -0.00049234 0.00003157
-0.00162624 -0.00051434 0.01385592
0.29991616 -14.21849813 16.93952340
-0.00086099 0.00037554 0.00005059
0.00185903 -0.01297687 0.00131996
1.53634256 -11.90797018 18.04108234
-0.00029375 0.00012209 0.00012659
0.01549468 -0.02348831 0.00167014
-4.43738695 -1.82053751 -13.42195261
0.00048716 -0.00001492 -0.00102286
0.00494295 -0.01081986 0.01147266
-3.17758132 -1.13456154 -16.09929845
0.00062121 0.00075107 0.00052611
-0.03033399 0.01644857 0.02581702
15.18271849 -8.74806684 -11.07067065
-0.00094068 0.00094520 0.00028377
-0.01090931 0.01442563 0.02606281
15.90020463 -6.96389712 -8.78647863
-0.00008190 0.00124011 0.00016895
0.03900113 0.04845691 0.00415281
7.43234600 -5.59898784 8.88641235
-0.00081710 0.00009950 0.00043371
-0.01956763 0.00392160 0.01407796
9.44721026 -5.35821903 7.02568221
-0.00098365 -0.00022147 0.00077743
0.01295505 -0.00019971 -0.00902398
-20.84717069 2.23573545 20.79327992
0.00054987 0.00070083 -0.00023464
0.00332684 0.00333261 -0.02711315
-22.11380239 0.58202240 22.83126813
0.00059865 -0.00027919 0.00083718
0.00657118 0.02133591 0.00350798
26.46816871 -2.67243202 -5.87239798
-0.00034522 -0.00069563 -0.00021377
0.00196356 0.00313674 0.00008263
25.53288578 -1.34508582 -8.29135222
-0.00086844 0.00009994 -0.00015437
0.00327666 -0.00310995 0.00369556
9.21644825 -15.75463435 -7.65941249
0.00019807 -0.00053854 0.00010333
-0.01741049 -0.02238976 -0.00079934
8.59532635 -12.98368080 -6.87633133
-0.00026648 0.00057790 -0.00050637
0.00217570 0.00001496 -0.00073252
-5.27199062 -10.77220156 17.81174037
-0.00070810 -0.00045373 -0.00048450
0.00860184 0.01058084 0.01610200
-6.39668000 -10.87135303 15.18924168
-0.00150697 0.00012857 0.00035933
-0.00525457 0.00401172 -0.00802205
9.86177837 2.75939267 -30.18792773
-0.00064564 -0.00081562 0.00149480
0.00423396 -0.00590675 0.00086372
6.94210243 2.44179206 -30.50460106
-0.00056473 0.00093774 -0.00111276
0.00879110 0.01421008 0.01216728
12.39018197 14.72800977 14.26191933
0.00028685 -0.00060959 0.00072703
0.00980450 0.00226621 0.00760278
11.30468361 16.33142035 16.84218130
-0.00065239 -0.00027664 -0.00102645
0.01204160 -0.01210000 -0.00785714
28.64745409 5.11358624 -4.46457191
0.00094357 -0.00036732 -0.00003537
-0.00555592 -0.00039990 -0.00998141
26.68034993 7.00020844 -3.05829559
-0.00012640 -0.00030096 -0.00006679
0.01689773 -0.01394111 -0.01321731
-9.97996444 4.91451726 6.98704926
0.00000317 0.00008931 -0.00002244
0.00366510 -0.01367293 -0.01252379
-8.63875304 13.19869206 2.54766036
-0.00006595 0.00008486 0.00008414
0.00399390 0.00048323 -0.00188524
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09500968
0.30423482
405.37765076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4007249363 (a.u.)
total exchange computation time: 2.6212301254 s
-154.3546009664
-931.40131307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4001596023 (a.u.)
total exchange computation time: 2.6246128082 s
-154.3602516201
Anderson extrapolation: theta=1.3644816841 (1.3644816841)
-931.40155430
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3993191709 (a.u.)
total exchange computation time: 2.6213209629 s
-154.3683477885
Anderson extrapolation: theta=0.0618466947 (0.0618466947)
-931.40170138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3992156016 (a.u.)
total exchange computation time: 2.6229059696 s
-154.3691871040
Anderson extrapolation: theta=2.1072738652 (2.0000000000)
-931.40170778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3990018354 (a.u.)
total exchange computation time: 2.6243820190 s
-154.3708484306
Anderson extrapolation: theta=0.3006144702 (0.3006144702)
-931.40171441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3989466176 (a.u.)
total exchange computation time: 2.6210191250 s
-154.3712128311
Anderson extrapolation: theta=1.3972652332 (1.3972652332)
-931.40171559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3988945469 (a.u.)
total exchange computation time: 2.6219627857 s
-154.3714725886
Anderson extrapolation: theta=0.3602225068 (0.3602225068)
-931.40171632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3988996636 (a.u.)
total exchange computation time: 2.6220071316 s
-154.3713399553
Anderson extrapolation: theta=1.0372741274 (1.0372741274)
-931.40171645
-72.523623 23.578657 54.470040
558.867407 1032.665844 -412.405117
486.343785 1056.244501 -357.935077
1216.675899
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3989215320 (a.u.)
total exchange computation time: 2.6151990891 s
679.28916349
-1084.56000920
89.79423376
-388.60626030
-174.91992262
78.73699094
551.60419304
0.00000000
-931.40171641
3.88705731 -30.91819062 -2.27368126
0.00006174 0.00036881 -0.00010419
0.00670388 -0.00643286 0.01966536
-11.97081084 -2.24746826 -9.08738415
0.00033798 0.00013462 -0.00015430
-0.00499298 0.02398599 -0.02520620
-37.38800950 2.32849170 -0.13710009
-0.00005561 0.00022148 0.00012588
0.02273618 -0.01351611 -0.01351925
-11.37032823 -3.93107754 3.86513032
-0.00036670 0.00005006 0.00003871
-0.01749257 0.03857533 0.00775074
4.78261832 -3.81851748 9.62849721
-0.00024527 -0.00001165 -0.00029472
-0.01107217 -0.00987763 -0.00731455
-31.99079394 -1.19315982 -0.72679724
0.00026065 0.00037179 0.00018579
-0.02870588 0.04623579 0.00710109
15.21018343 12.53756800 -14.09375015
-0.00040888 0.00003247 0.00019512
-0.01719638 0.02022900 -0.04455746
-7.72261600 5.74081993 2.39621042
-0.00007045 0.00028102 0.00009489
-0.00970075 0.02033618 0.04890032
7.31511969 12.47048533 -5.50223906
0.00030192 0.00018302 -0.00003499
0.00630252 0.02477993 -0.04428256
9.00996680 9.72648296 -19.13848392
-0.00018769 0.00026015 0.00011876
-0.03899167 -0.00995177 0.00267726
23.12535729 17.53533896 -2.09874142
0.00043779 -0.00038673 -0.00010602
0.01564095 -0.01737101 0.00528790
2.15478421 16.93677423 -19.00829866
0.00004903 -0.00004826 -0.00032993
0.01212053 0.02696131 -0.05404783
14.07822083 -1.55398664 -5.30239724
-0.00003317 0.00027489 0.00007649
0.01857496 0.00727003 0.00099089
-16.13350263 -1.95113309 3.42525928
-0.00006390 0.00019310 -0.00032134
-0.01056206 0.00113495 0.00121965
-17.08404840 -1.67277055 19.51070990
0.00022362 -0.00016184 -0.00015853
0.03230651 -0.01517866 0.00875858
0.19092399 2.21035290 -5.23992296
0.00023530 -0.00018482 0.00014775
-0.01159310 -0.01814766 0.01274680
22.26119507 -7.15916881 -8.98206001
-0.00000007 -0.00002646 -0.00004802
-0.02436242 0.02274197 -0.00231656
-0.43167662 -6.49799572 7.24272819
0.00000107 0.00019071 0.00001007
-0.00202094 0.00827813 0.00130817
-1.96451725 -1.56741969 -19.25467763
0.00010146 0.00017693 -0.00014883
0.00236017 0.01150863 0.00939963
3.44396132 2.31300741 -9.30022211
-0.00023509 -0.00008508 0.00001519
-0.01419557 0.00676039 -0.02309961
-3.60658143 18.16104225 12.07810646
-0.00009984 -0.00033530 0.00011844
-0.02405338 -0.00138551 -0.04679863
-3.57945167 4.98361336 -11.44558095
-0.00032613 0.00008541 0.00051338
0.00004370 -0.01201840 -0.07875771
-8.27427927 3.36183106 -8.90665578
0.00019249 -0.00033885 -0.00004972
-0.01060508 -0.01025407 0.01277765
1.71410950 27.21202574 8.38103782
0.00050052 0.00032152 0.00003033
0.02095668 -0.01349162 -0.00009925
10.17007605 -6.16686814 -2.03673281
-0.00024086 -0.00003855 -0.00005016
0.00031556 -0.00832785 0.03216991
-8.87732313 0.46348409 5.80521912
0.00022119 0.00020113 0.00018359
-0.02760285 -0.00961807 0.03043328
20.55586553 10.67603383 8.77035230
-0.00019451 -0.00010465 0.00009777
-0.01132324 0.03432850 -0.00386200
-2.93236881 -2.17625925 -27.12375749
0.00039824 -0.00000437 -0.00013296
0.03154448 0.02093202 -0.03703909
-14.27000835 5.99646993 7.32359070
-0.00008866 0.00021656 0.00031334
0.00222454 -0.00306362 0.00484310
-10.03392398 7.09784295 -2.71106936
0.00023913 0.00022355 0.00013656
0.00207943 -0.00358196 -0.00787495
-1.61036468 -15.85098974 24.26996677
0.00007880 0.00015509 -0.00054207
-0.03750023 -0.03393979 -0.00869942
-2.57826466 6.45362014 -6.49185986
0.00014827 -0.00026437 0.00009954
-0.00729262 0.00324756 0.00595644
-20.57230576 31.11169802 4.64613724
0.00059116 -0.00009008 -0.00013018
-0.01767283 0.03102021 0.02593346
7.57616545 -0.01815506 8.19076670
-0.00001916 0.00005226 -0.00020043
-0.01467298 0.00914200 -0.03961129
5.42458419 11.20535798 -13.90760020
0.00011231 0.00018905 -0.00021852
-0.02627410 0.01612357 -0.02681490
15.99330126 3.34749286 -1.93956531
-0.00041098 -0.00047102 -0.00011618
0.00799340 -0.02824123 0.00324198
-4.00221306 13.61184686 -1.37474309
-0.00023319 0.00010797 0.00031890
0.01024818 -0.00661347 -0.00389121
4.56785322 12.84150819 3.34164263
-0.00013787 -0.00011814 -0.00007544
0.05721281 0.03675387 -0.01091036
24.81244309 -11.86320498 -9.45072294
0.00002343 0.00007638 -0.00013352
-0.01450120 0.01914058 0.01891382
16.47835557 -3.98815782 -0.30154956
-0.00020540 -0.00004922 -0.00020624
-0.01317241 0.03995712 0.01112470
12.87553607 7.90594291 9.77528434
0.00014241 -0.00005102 0.00015295
-0.01718302 -0.00585866 0.02641267
1.89140203 -13.73314720 17.72562481
-0.00026363 -0.00024568 -0.00005740
-0.02150958 0.03733937 0.00045991
-4.42920998 -0.54516583 -14.70027491
-0.00009268 -0.00026489 0.00026570
0.03360285 0.00300320 -0.03515019
14.89821031 -8.30692794 -9.19449478
0.00012219 0.00026815 0.00020316
-0.01903310 -0.05733853 -0.03389518
9.00590027 -6.39746231 8.45391135
-0.00017085 -0.00042860 0.00011060
-0.00073686 -0.00800531 0.00300103
-21.33555693 2.26319215 22.51244504
-0.00008489 -0.00005349 0.00018255
-0.01127732 -0.02393670 0.02152721
25.85968833 -3.01588563 -7.57794601
0.00005377 -0.00026251 -0.00039208
-0.01043664 0.00326731 -0.00547904
9.87278036 -14.08875809 -7.59080729
-0.00012127 -0.00014432 -0.00013140
0.01400311 0.02817052 -0.00403251
-6.07106250 -11.91116399 16.66389073
-0.00041847 -0.00049478 0.00020411
-0.00749243 -0.01705711 -0.00703909
8.27071041 3.41155471 -29.58308183
0.00001747 0.00015240 0.00023498
-0.02115363 -0.01474462 -0.01217871
11.06483501 15.73919601 15.10822374
-0.00012485 -0.00007274 0.00017997
-0.03059992 -0.01034440 0.00371647
28.37660972 6.15213443 -3.00833131
0.00027079 -0.00025947 -0.00006139
-0.01274994 0.01676301 0.01671928
5.29700869 -31.53388651 -3.35713201
-0.00017843 0.00026356 0.00008200
-0.00453653 0.00678018 0.00200685
4.37143942 -31.31260505 -0.51703823
-0.00050027 -0.00072734 -0.00018460
-0.00901737 0.00159622 -0.01332766
-11.93265498 -4.00980325 -8.68582903
0.00066632 0.00027857 0.00059287
0.00120494 -0.01827424 0.01207963
-12.42128321 -2.34198189 -10.86491072
-0.00037302 0.00027879 0.00056390
0.00177412 0.00864897 0.00581747
-38.53064599 2.04000680 1.18799284
-0.00106850 0.00024088 -0.00017364
-0.01731417 -0.00328754 0.02240920
-37.81272068 3.92381215 -0.95943472
-0.00004818 0.00091113 -0.00033500
-0.00286678 0.01098365 -0.00385817
-10.87492333 -5.54138420 3.39393728
0.00014079 -0.00035097 -0.00037442
0.02016221 -0.04808381 -0.00890251
-9.86326471 -2.90341342 3.75002856
-0.00044002 -0.00059161 -0.00049501
-0.00071564 0.00621271 0.00300077
5.65891819 -2.22188277 9.38726082
-0.00088902 -0.00085529 -0.00082399
0.00168185 0.00410193 -0.00007913
4.11930673 -3.78551904 11.32481748
0.00046722 0.00113689 -0.00030414
0.00575785 -0.00295015 0.00488828
-33.48014143 -2.23724212 -0.53111438
0.00073958 0.00012176 -0.00072938
0.00071340 0.00235910 0.00069730
-32.63985578 0.57748066 -0.39964259
0.00057136 0.00042846 0.00046340
0.01039557 -0.03558869 0.00031649
14.89097405 13.25084029 -15.94091556
0.00041138 -0.00050220 -0.00051338
0.00153025 -0.01844426 0.04550107
16.92405848 11.98298647 -14.14472253
-0.00162528 0.00076567 0.00062336
0.01355732 -0.01025867 -0.00059177
-8.19057063 7.10298800 1.33933298
-0.00061073 0.00024038 -0.00006651
-0.00759428 0.01594047 -0.01040790
-6.93654796 4.62154396 1.29366124
0.00021345 -0.00063463 -0.00021446
0.01620644 -0.03519531 -0.02880802
6.11683201 12.70194427 -6.94327379
0.00017727 -0.00016831 0.00029628
0.01167334 -0.00929028 0.02069963
8.66520641 13.77640618 -6.04090172
-0.00004378 -0.00029040 -0.00058761
-0.01078435 -0.01954608 0.00631579
8.99564866 9.15965977 -20.86757694
-0.00024794 -0.00007650 0.00065149
0.00825493 -0.00217164 -0.00059299
10.68900912 10.00364666 -18.60704990
0.00030930 -0.00001796 -0.00066912
0.02547310 0.01159361 -0.00428366
24.49154684 16.21120428 -2.43376654
-0.00061675 -0.00078023 -0.00042278
-0.02393620 0.01478731 0.00256073
24.03006724 19.11333307 -2.12736791
0.00019629 -0.00082688 -0.00011948
0.01093440 0.00303051 -0.00494826
2.14314396 17.61121589 -20.84649452
0.00004717 -0.00041089 -0.00048105
-0.01475489 -0.01674406 0.03860369
3.43517124 15.59359756 -19.14664902
0.00003638 -0.00127018 -0.00055386
-0.01107314 -0.00972950 0.00897516
13.37375373 -2.34206653 -6.77930383
-0.00068847 0.00084918 -0.00047729
-0.01514819 0.00894533 -0.00299897
12.83207483 -0.86550142 -4.14657439
0.00045056 0.00002207 0.00028722
-0.00455176 -0.01390138 -0.00898520
-17.32956349 -3.33288495 3.60776745
0.00042406 0.00093994 -0.00038513
-0.01811259 0.01139863 0.00848065
-14.74701103 -2.94221989 2.85663623
0.00058595 0.00033117 0.00016590
0.03010944 0.00423667 0.00057575
-16.55241717 -0.03184065 20.23068632
0.00022320 -0.00014418 -0.00120270
-0.00074040 0.00386742 -0.00012693
-15.57101896 -2.70529490 19.96516641
-0.00037369 -0.00040838 -0.00116145
-0.02659523 0.01072490 -0.00983130
-0.91812899 0.75949081 -4.85015698
0.00038359 0.00004774 -0.00013427
0.00908327 -0.00446810 -0.01135401
-1.05256044 3.49574113 -4.88636429
-0.00003496 -0.00002328 0.00085555
0.00088423 0.02032776 -0.00688050
22.97333555 -8.77610549 -9.12526078
0.00131884 0.00044133 -0.00027691
0.01926076 -0.02717763 0.00190423
23.41047332 -5.99441597 -8.20843099
0.00109355 -0.00036158 -0.00018889
0.01147265 0.00488857 0.00543455
0.70683214 -5.81045391 5.94648145
-0.00012266 -0.00034514 -0.00076317
-0.00623066 -0.00875616 0.00283612
-0.33359917 -5.26724643 8.58452991
-0.00060743 0.00005811 -0.00006820
0.00098558 -0.00419630 0.00307864
-1.06829766 -3.06711882 -18.78273982
0.00087387 -0.00026304 0.00099857
0.00535780 -0.00932208 -0.00217463
-3.49910778 -2.13825104 -20.04921049
0.00036823 0.00095454 -0.00051489
-0.00944443 -0.00791496 -0.01042867
2.95082651 3.14188297 -10.96616332
0.00041995 -0.00139455 -0.00040406
0.00284400 -0.01575309 0.03468716
1.99030761 2.24335952 -8.09465229
-0.00041561 -0.00018932 -0.00003113
0.01000151 0.01004280 -0.01097956
-2.40191237 16.86550875 12.40628687
-0.00009375 0.00005226 0.00072552
0.01806189 -0.01518400 0.00778675
-3.81341680 19.06633263 13.56815683
0.00023782 0.00069485 -0.00013626
0.00241035 0.02067482 0.03857471
-3.91722736 6.17098185 -12.95865425
-0.00091498 0.00079459 0.00005039
0.00569010 -0.02346245 0.04547756
-3.26285940 3.33227146 -12.41856356
0.00119709 -0.00032401 0.00020019
-0.01003000 0.03014149 0.02613294
-7.55833024 2.25173814 -7.60935216
-0.00059397 0.00032652 0.00038213
-0.00120274 0.00677370 -0.01367816
-6.94248951 4.10902841 -9.88360584
0.00166196 0.00004394 -0.00018817
0.00801898 -0.00006923 0.00200136
1.84029466 28.23444662 6.87456393
0.00009263 -0.00063414 0.00028261
0.00622181 0.00765697 -0.00289054
0.08477724 27.52498005 9.01072129
0.00012295 -0.00024489 0.00032995
-0.02280455 0.00559755 0.01047896
11.08715264 -6.52758886 -0.42479984
-0.00058788 -0.00040504 0.00035718
-0.00249199 0.00102659 -0.02034987
8.97661325 -7.56697172 -2.03618727
-0.00044918 -0.00004694 -0.00067885
0.00285732 0.00670550 -0.00604562
-7.20557460 -0.05276293 6.57211508
0.00086445 0.00074512 -0.00066034
-0.01140734 0.00361118 -0.00571248
-10.25286532 -0.15983734 6.98744336
0.00068510 -0.00078582 -0.00017106
0.02981147 0.01009484 -0.02518097
21.22514191 10.41017530 10.45418027
0.00065870 0.00038170 -0.00072628
0.00132462 0.00055958 -0.00255825
20.50890561 12.58739738 8.55679099
0.00007593 -0.00002265 0.00052632
0.01322517 -0.02992654 0.00119239
-1.78553402 -2.94482711 -26.00583826
-0.00028933 0.00035248 -0.00000121
0.02533666 -0.02407153 0.01304784
-4.41939890 -2.25602320 -26.22975041
0.00064638 -0.00026918 -0.00028477
-0.05277718 -0.00020222 0.02288463
-14.70579103 7.13448482 8.68212795
0.00090582 -0.00035628 0.00100121
-0.00329577 -0.00037184 -0.00228232
-14.19220245 7.11712586 5.89011326
-0.00067964 -0.00024655 0.00006258
-0.00618559 0.00506900 -0.00814652
-11.23103852 6.82659674 -4.06775904
0.00055588 -0.00049881 0.00047119
-0.01268022 -0.00518894 0.00618100
-8.92231351 8.08514129 -3.75544329
0.00006537 -0.00018554 0.00007625
0.01819186 0.01437546 0.00212460
-1.17950333 -17.56433274 23.52703290
-0.00040668 -0.00003697 -0.00009532
0.00834282 0.02412555 0.00778996
-3.47532599 -16.01712659 24.49202217
-0.00159736 0.00014388 0.00012047
0.02582667 0.01028774 0.00027217
-3.27432636 5.69457774 -7.99463607
-0.00046149 -0.00048371 -0.00018160
0.00753066 -0.00148215 -0.00680170
-3.93903581 7.59854304 -5.98841906
-0.00023096 0.00081174 -0.00020267
0.00068993 0.00466497 0.00316512
-21.77827641 30.01376568 3.79901170
0.00078868 0.00089607 -0.00115427
-0.00578067 -0.00971020 -0.02035031
-21.82094888 32.21069629 5.57947323
0.00058061 0.00073287 -0.00100946
0.02540153 -0.01858298 -0.00442635
6.85908568 -0.20394160 6.40694615
0.00002092 -0.00022720 -0.00003662
0.01771875 -0.01093144 0.02417152
6.83646884 1.59062215 8.60149280
0.00080606 0.00009128 0.00050036
0.00355843 0.00787897 0.00759760
6.70711403 12.31632159 -13.26975069
-0.00013465 0.00073791 0.00022569
0.00761772 0.00991317 -0.00135477
4.58237070 12.23770256 -15.32597176
-0.00011120 -0.00053277 0.00067231
0.02417143 -0.02465325 0.03932952
14.63227671 4.49759798 -2.34196618
-0.00008257 -0.00044872 -0.00083922
-0.01191510 -0.00246875 -0.00976336
15.51701604 1.57297281 -2.31691814
-0.00034582 -0.00022730 0.00082253
0.00322291 0.02985997 0.00263545
-2.45391394 13.38420712 -0.45165054
-0.00036501 0.00013438 0.00034419
0.01023780 0.00171689 -0.00681682
-5.18869103 13.30119756 -0.04428198
-0.00001236 -0.00026693 0.00070330
-0.02248566 -0.00888157 0.01067020
3.64501390 11.36254874 3.62387076
0.00002718 -0.00130804 0.00040510
-0.02766650 -0.04758563 0.00283618
6.39574085 12.42480856 3.48989670
0.00055107 0.00001946 0.00051793
-0.01908825 -0.00515362 -0.00201193
24.82897336 -13.54183210 -8.81979951
0.00078446 0.00000009 0.00015547
0.00120399 -0.01225097 0.00668374
25.43603719 -11.85363970 -11.12337116
0.00065760 0.00083361 0.00094621
0.01684347 -0.00163952 -0.02950704
14.73386420 -3.75114034 -0.82999330
-0.00061533 -0.00049382 -0.00023922
0.01434227 0.00249260 0.00379244
17.03038190 -5.59855400 -0.79860255
0.00049994 0.00059059 0.00037037
0.01172045 -0.02831080 -0.01233909
11.70656375 7.83698056 11.31065136
0.00002291 0.00016154 -0.00015666
0.02531696 0.01615373 -0.02756754
13.04310695 9.58785578 9.05116260
-0.00080570 -0.00048852 0.00008520
-0.00108352 0.00238418 0.01239707
0.28705828 -14.21326272 16.94032276
-0.00084963 0.00032251 0.00005725
0.00370319 -0.01297840 0.00194014
1.53241107 -11.90685858 18.04303231
-0.00022913 0.00002214 0.00013279
0.01613926 -0.02544035 0.00136668
-4.42992802 -1.82109290 -13.43694390
0.00050620 -0.00007146 -0.00096306
0.00437526 -0.01685642 0.01780048
-3.16919272 -1.12279151 -16.09061575
0.00049673 0.00081751 0.00063006
-0.03059916 0.01607573 0.02506735
15.16827405 -8.73344682 -11.06561545
-0.00098343 0.00100257 0.00038661
-0.01001710 0.01365945 0.02427693
15.90017119 -6.94381065 -8.78381710
0.00006807 0.00142604 0.00018153
0.03441302 0.04256033 0.00200420
7.41948982 -5.59737523 8.89334939
-0.00088547 0.00010911 0.00048866
-0.01389661 0.00078458 0.01282204
9.43285247 -5.36154725 7.03706709
-0.00092738 -0.00021734 0.00073248
0.01459173 0.00222282 -0.01297765
-20.83882063 2.24635007 20.78892952
0.00055970 0.00071252 -0.00033428
0.00148516 0.00238954 -0.02166459
-22.10462129 0.57848829 22.84393331
0.00062555 -0.00019221 0.00084926
0.00659733 0.02124246 0.00240617
26.46305053 -2.68277041 -5.87560203
-0.00033694 -0.00068182 -0.00021292
0.00208974 0.00362597 0.00033393
25.51995959 -1.34368195 -8.29355448
-0.00085356 0.00008241 -0.00013639
0.00400946 -0.00547390 0.00510511
9.21888586 -15.76339854 -7.65788707
0.00012788 -0.00062527 0.00010064
-0.01694869 -0.02006574 -0.00051556
8.59139581 -12.97501183 -6.88394928
-0.00025375 0.00057304 -0.00051115
0.00405466 -0.00239564 -0.00160855
-5.28234847 -10.77868331 17.80496632
-0.00066882 -0.00040534 -0.00041233
0.01062239 0.01310549 0.01922336
-6.41944553 -10.86930151 15.19438583
-0.00152683 0.00014062 0.00033093
-0.00446866 0.00188702 -0.00588070
9.85222351 2.74697741 -30.16547926
-0.00061945 -0.00084348 0.00149478
0.00858397 -0.00773073 -0.00087517
6.93390086 2.45629358 -30.52091963
-0.00052378 0.00099901 -0.00105826
0.01125434 0.01578364 0.01451238
12.39478517 14.71893533 14.27305773
0.00032385 -0.00059751 0.00075889
0.00830757 0.00364716 0.00799164
11.29526680 16.32689992 16.82654371
-0.00060054 -0.00031993 -0.00104074
0.01333847 -0.00908895 0.00086265
28.66143741 5.10806412 -4.46540837
0.00091997 -0.00036759 -0.00007455
-0.00599793 0.00026997 -0.00919442
26.67897172 6.99526683 -3.05970238
-0.00005427 -0.00035963 -0.00012126
0.01841213 -0.01477911 -0.01344881
-9.97990706 4.91582022 6.98667909
0.00000447 0.00008438 -0.00002692
0.00358696 -0.01386303 -0.01250581
-8.63973536 13.19996587 2.54891923
-0.00006501 0.00008497 0.00008372
0.00408246 0.00042057 -0.00179201
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09492080
0.30679561
408.78976908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3997982246 (a.u.)
total exchange computation time: 2.7190160751 s
-154.3395089223
-931.40527774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3991736453 (a.u.)
total exchange computation time: 2.7183630466 s
-154.3454261773
Anderson extrapolation: theta=1.3581838923 (1.3581838923)
-931.40551235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3982032187 (a.u.)
total exchange computation time: 2.7202939987 s
-154.3541561181
Anderson extrapolation: theta=0.0596375605 (0.0596375605)
-931.40565626
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3980502100 (a.u.)
total exchange computation time: 2.7220211029 s
-154.3552682244
Anderson extrapolation: theta=2.0992959422 (2.0000000000)
-931.40566305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3977167048 (a.u.)
total exchange computation time: 2.7189040184 s
-154.3576017805
Anderson extrapolation: theta=0.3108333859 (0.3108333859)
-931.40567119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3976104592 (a.u.)
total exchange computation time: 2.7183060646 s
-154.3582637545
Anderson extrapolation: theta=1.5052660540 (1.5052660540)
-931.40567315
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3974781076 (a.u.)
total exchange computation time: 2.7217650414 s
-154.3589954319
Anderson extrapolation: theta=0.3793116919 (0.3793116919)
-931.40567508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3974579478 (a.u.)
total exchange computation time: 2.7183461189 s
-154.3590089250
Anderson extrapolation: theta=1.0453072203 (1.0453072203)
-931.40567561
-72.551026 23.555102 54.470740
558.871961 1032.651740 -412.416473
486.320935 1056.206841 -357.945733
1216.637206
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3974613156 (a.u.)
total exchange computation time: 2.7181758881 s
679.26202154
-1084.49181107
89.79064561
-388.65406668
-174.91500396
78.69829884
551.60419304
0.00000000
-931.40567588
3.88800934 -30.91268336 -2.27516825
0.00006498 0.00036541 -0.00009399
0.00586047 -0.00677812 0.02000229
-11.96576034 -2.24535641 -9.08979582
0.00033567 0.00014692 -0.00016607
-0.00400720 0.02382942 -0.02058017
-37.38875599 2.33176183 -0.13526409
-0.00004492 0.00021554 0.00011920
0.01884553 -0.00958647 -0.01243015
-11.37589623 -3.93017779 3.86574094
-0.00037563 0.00006775 0.00004222
-0.01721849 0.03021592 0.00588551
4.77889656 -3.81873029 9.62404827
-0.00025156 -0.00001810 -0.00029858
-0.01340382 -0.01520943 -0.00771294
-31.98699500 -1.18740456 -0.72398307
0.00024665 0.00039579 0.00018931
-0.02570400 0.04706186 0.00662019
15.20398385 12.53813315 -14.09099529
-0.00042043 0.00004385 0.00017182
-0.02768677 0.02400586 -0.04603484
-7.72371020 5.74511367 2.39782247
-0.00007445 0.00029033 0.00011840
-0.00584217 0.01586828 0.04252206
7.31967279 12.47332627 -5.50293470
0.00030502 0.00019531 -0.00005742
0.00574049 0.02301644 -0.04294847
9.00700106 9.73034676 -19.13669217
-0.00020702 0.00025533 0.00012100
-0.03616262 -0.00877936 0.00604195
23.13198452 17.52947097 -2.10031133
0.00044472 -0.00039609 -0.00010323
0.01128891 -0.01901784 0.00555241
2.15556648 16.93615431 -19.01345610
0.00005606 -0.00003545 -0.00035771
0.01519623 0.02286360 -0.05399141
14.07779497 -1.54983524 -5.30124607
-0.00002362 0.00027796 0.00007582
0.01854516 0.00465606 -0.00361047
-16.13450182 -1.94823224 3.42044389
-0.00006775 0.00019460 -0.00032100
-0.00440375 0.00471074 0.00011127
-17.08056951 -1.67525672 19.50836580
0.00023913 -0.00016964 -0.00015472
0.02803051 -0.01513945 0.00605998
0.19440882 2.20751060 -5.23765761
0.00022909 -0.00019307 0.00015432
-0.01255741 -0.01395029 0.01283636
22.26110004 -7.15947804 -8.98278926
-0.00001146 -0.00001476 -0.00004866
-0.01992220 0.02275630 -0.00018657
-0.43166833 -6.49510321 7.24288421
0.00000010 0.00019464 0.00001015
-0.00174080 0.00700906 -0.00096298
-1.96298629 -1.56472142 -19.25687382
0.00010436 0.00018159 -0.00014313
0.00891901 0.00663942 0.01277064
3.44038020 2.31175734 -9.30008338
-0.00024211 -0.00008201 0.00000381
-0.01311368 0.00515810 -0.02115819
-3.60817186 18.15600741 12.07970247
-0.00011252 -0.00033545 0.00009519
-0.02524507 0.00081343 -0.04359003
-3.58434345 4.98484815 -11.43818405
-0.00032602 0.00007912 0.00047189
0.00038498 -0.01245112 -0.08259997
-8.27143282 3.35670870 -8.90735236
0.00018860 -0.00034253 -0.00004509
-0.00453237 -0.00403797 0.00523746
1.72169809 27.21679647 8.38149238
0.00051030 0.00031386 0.00003189
0.01708471 -0.01628845 0.00615221
10.16646434 -6.16747844 -2.03736118
-0.00024071 -0.00004307 -0.00003337
0.00026704 -0.00926123 0.03313763
-8.87411179 0.46646400 5.80809035
0.00020744 0.00019637 0.00019882
-0.02584812 -0.00892684 0.02879020
20.55290415 10.67459645 8.77180392
-0.00020056 -0.00008674 0.00009503
-0.01217496 0.03533509 -0.00677838
-2.92627349 -2.17624403 -27.12589474
0.00041409 0.00000680 -0.00015272
0.03008680 0.02248252 -0.03979445
-14.27132969 5.99970647 7.32830950
-0.00008742 0.00021455 0.00031590
0.00259487 -0.00475654 0.00512115
-10.03032896 7.10118238 -2.70905128
0.00024029 0.00022144 0.00013323
0.00242620 -0.00462032 -0.00510039
-1.60932732 -15.84879433 24.26180213
0.00005700 0.00013776 -0.00054608
-0.04729382 -0.03343126 -0.00686718
-2.57606875 6.44966719 -6.49034385
0.00014301 -0.00026218 0.00010218
-0.01314853 0.00523751 0.00432259
-20.56350653 31.11046654 4.64428462
0.00058233 -0.00007377 -0.00011685
-0.01668262 0.03240451 0.02588083
7.57582143 -0.01733585 8.18760746
-0.00002641 0.00005660 -0.00022046
-0.01351663 0.00772253 -0.03826259
5.42616747 11.20825586 -13.91098148
0.00009981 0.00019705 -0.00023099
-0.02231713 0.01500942 -0.02168293
15.98716743 3.34031866 -1.94129555
-0.00040662 -0.00048479 -0.00011421
0.00896476 -0.02533102 0.00442842
-4.00567140 13.61344093 -1.36997462
-0.00022837 0.00010447 0.00031724
0.00851237 -0.00702433 -0.00254200
4.56600593 12.83987785 3.34046892
-0.00010879 -0.00010153 -0.00008066
0.05584587 0.02782373 -0.00937273
24.81273864 -11.86198541 -9.45265274
0.00001538 0.00008583 -0.00012208
-0.01679820 0.01759139 0.02554729
16.47522381 -3.98874203 -0.30460026
-0.00021304 -0.00002755 -0.00020039
-0.01656220 0.04433062 0.01161412
12.87760599 7.90515504 9.77768045
0.00013363 -0.00005464 0.00016663
-0.01696034 -0.00820743 0.02677394
1.88736467 -13.73668833 17.72476562
-0.00027518 -0.00022621 -0.00005729
-0.02343269 0.03836267 -0.00002530
-4.43047049 -0.54912761 -14.69642493
-0.00007529 -0.00026170 0.00024634
0.03399160 0.00939074 -0.04014044
14.89996974 -8.30312683 -9.19157817
0.00011363 0.00024079 0.00018712
-0.01426626 -0.04906923 -0.02847965
9.00333466 -6.40392225 8.45558197
-0.00017310 -0.00043250 0.00011345
-0.00799722 -0.00714434 0.00805602
-21.33687371 2.26229740 22.51526630
-0.00009009 -0.00006541 0.00019230
-0.00897859 -0.02241077 0.01639447
25.86045455 -3.01981069 -7.58384838
0.00004823 -0.00026036 -0.00039526
-0.01108234 0.00509719 -0.00686520
9.87101527 -14.09081419 -7.59279378
-0.00011468 -0.00013001 -0.00013336
0.01162184 0.02745549 -0.00362540
-6.07736843 -11.91865144 16.66692524
-0.00042288 -0.00050350 0.00019919
-0.00964600 -0.01686166 -0.01211708
8.27089079 3.41378390 -29.57960404
0.00000494 0.00014492 0.00022861
-0.02755860 -0.01436239 -0.01262579
11.06284422 15.73806502 15.11093765
-0.00014042 -0.00007914 0.00017927
-0.02992722 -0.01452973 -0.00643204
28.38062244 6.14830703 -3.00918770
0.00026404 -0.00025088 -0.00005306
-0.01352807 0.01664043 0.01568580
5.29419329 -31.52972538 -3.35584055
-0.00019526 0.00029040 0.00008903
-0.00370478 0.00635918 0.00143575
4.36365908 -31.32346617 -0.52021561
-0.00053672 -0.00072018 -0.00023842
-0.00882383 0.00190759 -0.01301882
-11.92262325 -4.00618465 -8.67656583
0.00067090 0.00020495 0.00064055
0.00103733 -0.01776529 0.01125793
-12.42682418 -2.33753498 -10.85627397
-0.00036752 0.00031285 0.00057981
0.00091888 0.00802405 0.00197232
-38.54720400 2.04351928 1.18607486
-0.00113357 0.00022861 -0.00008928
-0.01453858 -0.00271693 0.01888957
-37.81353124 3.93781567 -0.96457788
-0.00005749 0.00094656 -0.00034617
-0.00169017 0.00636032 -0.00161208
-10.87219371 -5.54812211 3.38804811
0.00021808 -0.00053472 -0.00040662
0.01767380 -0.04186600 -0.00685707
-9.86988691 -2.91209711 3.74269538
-0.00043827 -0.00056187 -0.00048296
0.00157052 0.00834327 0.00289615
5.64563449 -2.23458647 9.37489848
-0.00087504 -0.00082629 -0.00082725
0.00515816 0.01009673 -0.00151267
4.12649144 -3.76855605 11.32040513
0.00048871 0.00112345 -0.00028022
0.00476428 -0.00363254 0.00681960
-33.46902590 -2.23534342 -0.54203375
0.00073736 0.00012942 -0.00072576
-0.00179831 0.00138898 0.00107682
-32.63096687 0.58281696 -0.39268184
0.00061228 0.00028308 0.00046485
0.00963416 -0.03557291 0.00038960
14.89719165 13.24274206 -15.94722199
0.00041580 -0.00057713 -0.00032555
0.00063100 -0.01823246 0.04644166
16.90009478 11.99415709 -14.13539028
-0.00154689 0.00071628 0.00062151
0.02481389 -0.01391451 -0.00031255
-8.19996429 7.10708217 1.33801644
-0.00063995 0.00030112 -0.00010746
-0.00670828 0.01379221 -0.00963742
-6.93284957 4.61094602 1.28956161
0.00027038 -0.00076515 -0.00032139
0.01165833 -0.02869352 -0.02353825
6.11984875 12.69913488 -6.93819524
0.00022260 -0.00020582 0.00037830
0.01051771 -0.00906750 0.01944840
8.66421920 13.77145126 -6.04952240
-0.00008484 -0.00036723 -0.00056186
-0.00931473 -0.01806384 0.00629069
8.99218255 9.15844576 -20.85782282
-0.00021562 -0.00008744 0.00064241
0.00756236 -0.00318696 -0.00384986
10.69442922 10.00373253 -18.61721802
0.00040893 0.00002902 -0.00068676
0.02329660 0.01140196 -0.00435102
24.48156213 16.19995401 -2.44002976
-0.00071014 -0.00072153 -0.00041252
-0.02178017 0.01394391 0.00245943
24.03334671 19.10102273 -2.12931168
0.00024503 -0.00080836 -0.00013995
0.01292478 0.00603461 -0.00507247
2.14339942 17.60453938 -20.85252728
-0.00001303 -0.00047871 -0.00032373
-0.01471420 -0.01645226 0.03840234
3.43537765 15.57424666 -19.15468184
-0.00001548 -0.00130191 -0.00051584
-0.01431525 -0.00579971 0.00963248
13.36296256 -2.32905471 -6.78655510
-0.00074706 0.00088900 -0.00048344
-0.01353293 0.01054641 -0.00001215
12.83869379 -0.86559635 -4.14254140
0.00042884 -0.00003265 0.00025363
-0.00608147 -0.01288375 -0.00745964
-17.32375754 -3.31843662 3.60225031
0.00034221 0.00097594 -0.00034985
-0.02195474 0.00622400 0.00879252
-14.73729919 -2.93712252 2.85914236
0.00070419 0.00035097 0.00017003
0.02777047 0.00545358 0.00144392
-16.54909185 -0.03388488 20.21264195
0.00022208 -0.00012547 -0.00120058
0.00019090 0.00529490 0.00116407
-15.57743923 -2.71109201 19.94744346
-0.00047545 -0.00036772 -0.00119842
-0.02321653 0.00917956 -0.00826939
-0.91209686 0.76007005 -4.85251889
0.00041822 0.00002591 -0.00017951
0.00786813 -0.00621950 -0.01079294
-1.05305778 3.49601484 -4.87374183
-0.00002664 0.00005501 0.00082572
0.00318733 0.01799663 -0.00772313
22.99370830 -8.77031835 -9.12935610
0.00139415 0.00033227 -0.00027007
0.01760543 -0.02621000 0.00144361
23.42722817 -5.99968994 -8.21109779
0.00113435 -0.00034372 -0.00016998
0.00849790 0.00385433 0.00382338
0.70480135 -5.81589933 5.93512074
-0.00014968 -0.00038069 -0.00074806
-0.00699587 -0.00864602 0.00456284
-0.34268036 -5.26650338 8.58360129
-0.00060212 0.00004338 -0.00005483
0.00161002 -0.00301369 0.00346681
-1.05502541 -3.07135012 -18.76782789
0.00088540 -0.00028772 0.00098392
0.00028642 -0.00275788 -0.00499891
-3.49387368 -2.12417549 -20.05725345
0.00032708 0.00091882 -0.00055833
-0.01070175 -0.00957081 -0.01083569
2.95721294 3.12048194 -10.97116124
0.00042918 -0.00145578 -0.00026547
0.00167346 -0.01421737 0.03314967
1.98437990 2.24082748 -8.09545563
-0.00037433 -0.00014771 -0.00007661
0.01020680 0.01032504 -0.01128700
-2.40276516 16.86582734 12.41740823
-0.00001857 -0.00001103 0.00075750
0.01874031 -0.01579493 0.00786917
-3.80977562 19.07738894 13.56729496
0.00024859 0.00077596 0.00001470
0.00286094 0.01903012 0.03532000
-3.93077776 6.18218181 -12.95650484
-0.00088983 0.00069308 0.00024138
0.00662443 -0.02623112 0.04801516
-3.24521035 3.32833487 -12.41475995
0.00115315 -0.00019455 0.00030942
-0.01147814 0.03323263 0.02733603
-7.56727665 2.25684357 -7.60403938
-0.00059567 0.00035015 0.00033065
0.00037293 0.00479231 -0.01152061
-6.91731438 4.10968544 -9.88636711
0.00168085 0.00003535 -0.00016934
0.00122839 -0.00413743 0.00721876
1.84187473 28.22516915 6.87871449
0.00011818 -0.00059652 0.00026118
0.00628788 0.01075912 -0.00759912
0.08592261 27.52147823 9.01599165
0.00003708 -0.00022287 0.00036960
-0.01922794 0.00518362 0.00893066
11.07825804 -6.53363297 -0.42006569
-0.00059950 -0.00040038 0.00027167
-0.00319299 0.00125124 -0.02150722
8.96996313 -7.56747035 -2.04655526
-0.00043614 -0.00001802 -0.00070303
0.00352407 0.00745148 -0.00579091
-7.19295734 -0.04147544 6.56203497
0.00081581 0.00075893 -0.00068262
-0.01240483 0.00314597 -0.00519397
-10.24167530 -0.17131537 6.98410584
0.00080505 -0.00074497 -0.00027133
0.02890524 0.00990477 -0.02390163
21.23506296 10.41591794 10.44320767
0.00066700 0.00038142 -0.00072920
0.00273985 -0.00069877 0.00112730
20.51044985 12.58614063 8.56472227
0.00012866 -0.00014476 0.00052950
0.01258739 -0.02985009 0.00036788
-1.78909751 -2.94027747 -26.00545658
-0.00017941 0.00025071 0.00005685
0.02846902 -0.02574587 0.01537126
-4.41132040 -2.26006709 -26.23332069
0.00042683 -0.00026967 -0.00019034
-0.05469680 -0.00003980 0.02333884
-14.69230467 7.12912924 8.69707618
0.00089211 -0.00035616 0.00099112
-0.00341473 0.00043080 -0.00265817
-14.20258656 7.11358296 5.89080237
-0.00070517 -0.00022401 0.00002989
-0.00631475 0.00596396 -0.00785698
-11.22308886 6.81895557 -4.06050182
0.00050048 -0.00052044 0.00049286
-0.01443677 -0.00539618 0.00442891
-8.92077548 8.08279873 -3.75423437
0.00014222 -0.00012424 0.00008256
0.01942706 0.01563059 0.00096310
-1.18534783 -17.56414795 23.52584180
-0.00037232 0.00006007 -0.00006431
0.00847511 0.02337356 0.00738863
-3.49849495 -16.01465309 24.49383750
-0.00147194 0.00018730 0.00011870
0.03556716 0.01096693 -0.00113916
-3.28101797 5.68727665 -7.99756857
-0.00042742 -0.00048617 -0.00020230
0.00914543 0.00027998 -0.00332861
-3.94247908 7.61086206 -5.99136210
-0.00021999 0.00082347 -0.00019293
0.00467974 0.00107554 0.00160111
-21.76662342 30.02690918 3.78107411
0.00076317 0.00085419 -0.00123800
-0.00670655 -0.01079130 -0.02063990
-21.81146139 32.22111987 5.56419570
0.00068387 0.00065604 -0.00102673
0.02514781 -0.01902283 -0.00402939
6.85994248 -0.20768459 6.40713751
0.00009200 -0.00027002 0.00006055
0.01707275 -0.01002770 0.02339519
6.84866876 1.59223278 8.60923104
0.00081949 0.00012451 0.00052989
0.00301638 0.00838978 0.00685778
6.70532769 12.32769406 -13.26640689
-0.00010743 0.00077502 0.00021748
0.00570677 0.00825208 -0.00266520
4.58144345 12.22895558 -15.31468196
-0.00001649 -0.00062748 0.00082520
0.02218616 -0.02170942 0.03551239
14.63067305 4.49079156 -2.35485359
-0.00013150 -0.00045827 -0.00087860
-0.01203442 -0.00220527 -0.00951378
15.51192751 1.57047825 -2.30449947
-0.00033429 -0.00011170 0.00083136
0.00242136 0.02672700 0.00169029
-2.45907536 13.38627538 -0.44669664
-0.00032127 0.00014126 0.00031666
0.01117225 0.00165370 -0.00665536
-5.18956548 13.29692144 -0.03340553
-0.00010225 -0.00030202 0.00074343
-0.02151486 -0.00829377 0.00897524
3.64457377 11.34146992 3.63003420
-0.00007599 -0.00148617 0.00041391
-0.02283488 -0.03960669 0.00147680
6.40342194 12.42494258 3.49760394
0.00046566 0.00000064 0.00050856
-0.02271886 -0.00405879 -0.00257375
24.84077710 -13.54220616 -8.81726258
0.00078941 -0.00004626 0.00018103
0.00122172 -0.01043873 0.00582831
25.44641727 -11.84118579 -11.11008221
0.00073105 0.00082621 0.00081377
0.01911380 -0.00198228 -0.03532051
14.72507367 -3.75847132 -0.83346536
-0.00055167 -0.00048485 -0.00022271
0.01682179 0.00190005 0.00428768
17.03824016 -5.59056271 -0.79342511
0.00054971 0.00046707 0.00031764
0.01264093 -0.03215277 -0.01347165
11.70768317 7.83989866 11.30745674
0.00012478 0.00022616 -0.00026661
0.02455010 0.01547584 -0.02625473
13.03098826 9.58060102 9.05282047
-0.00080900 -0.00047282 0.00013266
-0.00053182 0.00530098 0.01083659
0.27442734 -14.20882271 16.94124103
-0.00083081 0.00026960 0.00006641
0.00550937 -0.01292261 0.00254294
1.52946871 -11.90730612 18.04506604
-0.00016232 -0.00008420 0.00013795
0.01656309 -0.02660957 0.00116078
-4.42220095 -1.82268136 -13.45084426
0.00052305 -0.00015199 -0.00087828
0.00387206 -0.02256467 0.02369646
-3.16267943 -1.11003627 -16.08039677
0.00037232 0.00088194 0.00072987
-0.03030124 0.01546295 0.02379054
15.15321569 -8.71798966 -11.05907240
-0.00102243 0.00105655 0.00048100
-0.00907588 0.01276065 0.02192920
15.90224679 -6.92111582 -8.78103274
0.00019692 0.00158429 0.00018433
0.02865866 0.03490049 -0.00063404
7.40578197 -5.59571455 8.90107224
-0.00093047 0.00010596 0.00053821
-0.00813187 -0.00232583 0.01143088
9.41938894 -5.36473925 7.04765662
-0.00086491 -0.00020366 0.00067215
0.01598684 0.00447432 -0.01655568
-20.83037956 2.25711115 20.78325138
0.00056154 0.00072020 -0.00041035
-0.00058888 0.00136892 -0.01556963
-22.09503586 0.57625605 22.85674596
0.00065205 -0.00010676 0.00085705
0.00637480 0.02058473 0.00140686
26.45806041 -2.69288658 -5.87878561
-0.00032821 -0.00066610 -0.00021117
0.00218321 0.00407054 0.00052184
25.50727912 -1.34261355 -8.29544386
-0.00083575 0.00005563 -0.00011293
0.00470643 -0.00763705 0.00637733
9.22028476 -15.77339248 -7.65639325
0.00006026 -0.00070080 0.00009911
-0.01615211 -0.01690740 -0.00023433
8.58771376 -12.96648968 -6.89166582
-0.00023361 0.00055855 -0.00051930
0.00580613 -0.00469528 -0.00238186
-5.29205531 -10.78436187 17.79937040
-0.00062207 -0.00034768 -0.00032867
0.01226143 0.01512081 0.02172868
-6.44248494 -10.86713434 15.19916958
-0.00154324 0.00014378 0.00031158
-0.00356354 -0.00034270 -0.00359186
9.84319473 2.73408835 -30.14308444
-0.00057636 -0.00087873 0.00148807
0.01250875 -0.00952367 -0.00240712
6.92638903 2.47176243 -30.53634880
-0.00047361 0.00106584 -0.00099479
0.01330264 0.01692743 0.01655640
12.39989752 14.71008440 14.28468590
0.00035455 -0.00057970 0.00079219
0.00672178 0.00507343 0.00831263
11.28666745 16.32182247 16.81095899
-0.00054348 -0.00035037 -0.00101811
0.01459374 -0.00581275 0.01021881
28.67505313 5.10255854 -4.46680833
0.00089456 -0.00036480 -0.00010993
-0.00643872 0.00109426 -0.00812675
26.67872192 6.98941947 -3.06193341
0.00002297 -0.00042107 -0.00017653
0.01939429 -0.01529353 -0.01360437
-9.97983041 4.91704875 6.98624177
0.00000574 0.00007939 -0.00003139
0.00350673 -0.01402289 -0.01250090
-8.64070347 13.20124114 2.55017185
-0.00006407 0.00008506 0.00008330
0.00409359 0.00033296 -0.00179075
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09540738
0.31026850
413.41721985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3968912359 (a.u.)
total exchange computation time: 2.6398320198 s
-154.3269492865
-931.40932351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3963886278 (a.u.)
total exchange computation time: 2.6404500008 s
-154.3322007126
Anderson extrapolation: theta=1.3583164789 (1.3583164789)
-931.40955083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3956386255 (a.u.)
total exchange computation time: 2.6396160126 s
-154.3397638571
Anderson extrapolation: theta=0.0586961593 (0.0586961593)
-931.40968954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3955440057 (a.u.)
total exchange computation time: 2.6396150589 s
-154.3405869550
Anderson extrapolation: theta=2.0529702911 (2.0000000000)
-931.40969581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3953484527 (a.u.)
total exchange computation time: 2.6398069859 s
-154.3422494576
Anderson extrapolation: theta=0.2779767319 (0.2779767319)
-931.40970314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3953027132 (a.u.)
total exchange computation time: 2.6401698589 s
-154.3426099245
Anderson extrapolation: theta=1.6071742514 (1.6071742514)
-931.40970484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3952553741 (a.u.)
total exchange computation time: 2.6411509514 s
-154.3429493423
Anderson extrapolation: theta=0.3359515711 (0.3359515711)
-931.40970677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3952642868 (a.u.)
total exchange computation time: 2.6394629478 s
-154.3428417748
Anderson extrapolation: theta=1.1439263333 (1.1439263333)
-931.40970738
-72.570940 23.525247 54.480079
558.880229 1032.635002 -412.423734
486.309289 1056.160249 -357.943654
1216.591491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3952915243 (a.u.)
total exchange computation time: 2.6157619953 s
679.23125233
-1084.40862033
89.78573751
-388.71327346
-174.90951242
78.64930427
551.60419304
0.00000000
-931.40970790
3.88900658 -30.90722838 -2.27650094
0.00006772 0.00036187 -0.00008370
0.00482678 -0.00699121 0.01999322
-11.96074076 -2.24306073 -9.09236625
0.00033390 0.00015895 -0.00017534
-0.00285792 0.02296940 -0.01546612
-37.38935709 2.33495801 -0.13352399
-0.00003639 0.00021158 0.00011325
0.01431083 -0.00583526 -0.01070136
-11.38159706 -3.92904494 3.86639696
-0.00038427 0.00008080 0.00004466
-0.01640162 0.02053026 0.00359507
4.77507140 -3.81906044 9.61953983
-0.00025906 -0.00002728 -0.00030257
-0.01575479 -0.02048107 -0.00780730
-31.98339435 -1.18128623 -0.72111782
0.00023427 0.00041994 0.00019256
-0.02243438 0.04686764 0.00598844
15.19757068 12.53888349 -14.08859557
-0.00043722 0.00005705 0.00014793
-0.03762580 0.02732850 -0.04685837
-7.72484947 5.74952983 2.39976256
-0.00007640 0.00029728 0.00013838
-0.00173586 0.01115971 0.03515507
7.32427018 12.47634477 -5.50396168
0.00030785 0.00020659 -0.00007897
0.00527760 0.02083323 -0.04086169
9.00375633 9.73414282 -19.13485381
-0.00022463 0.00025114 0.00012501
-0.03231601 -0.00751414 0.00952387
23.13869885 17.52345627 -2.10183841
0.00044933 -0.00040610 -0.00010030
0.00663545 -0.01990123 0.00587117
2.15646597 16.93571078 -19.01903005
0.00006456 -0.00002477 -0.00038522
0.01785947 0.01866609 -0.05296776
14.07751218 -1.54564792 -5.30012275
-0.00001412 0.00027968 0.00007274
0.01841742 0.00202900 -0.00834455
-16.13553499 -1.94529504 3.41562935
-0.00006830 0.00019789 -0.00032126
0.00225683 0.00809502 -0.00112054
-17.07687437 -1.67785968 19.50606845
0.00025226 -0.00017725 -0.00015232
0.02300638 -0.01444413 0.00325293
0.19779677 2.20456067 -5.23529324
0.00022242 -0.00019909 0.00016095
-0.01337600 -0.00945134 0.01294517
22.26085132 -7.15961172 -8.98351994
-0.00002033 -0.00000334 -0.00004823
-0.01459089 0.02165754 0.00189140
-0.43167347 -6.49215663 7.24303281
-0.00000075 0.00019788 0.00000912
-0.00158591 0.00558925 -0.00307457
-1.96138652 -1.56197192 -19.25897149
0.00011045 0.00018379 -0.00013578
0.01476802 0.00191368 0.01580488
3.43669790 2.31054706 -9.30010787
-0.00024847 -0.00007983 -0.00000643
-0.01160583 0.00331349 -0.01865108
-3.60995704 18.15097884 12.08096219
-0.00012569 -0.00033440 0.00007401
-0.02597261 0.00325188 -0.03877107
-3.58923227 4.98598688 -11.43142438
-0.00032570 0.00007265 0.00042884
0.00086264 -0.01269186 -0.08480513
-8.26862134 3.35155519 -8.90800853
0.00018769 -0.00034307 -0.00004428
0.00101997 0.00192463 -0.00207997
1.72941848 27.22144154 8.38199439
0.00051792 0.00030484 0.00003669
0.01256839 -0.01876845 0.01252362
10.16285469 -6.16816019 -2.03773390
-0.00024064 -0.00004805 -0.00001621
0.00002025 -0.01011502 0.03360905
-8.87109987 0.46937505 5.81118370
0.00019474 0.00019207 0.00021303
-0.02355450 -0.00779257 0.02648550
20.54984883 10.67343168 8.77320324
-0.00020703 -0.00006851 0.00009085
-0.01298258 0.03553410 -0.00946799
-2.91994605 -2.17605536 -27.12833899
0.00042883 0.00001857 -0.00017332
0.02720761 0.02329222 -0.04031930
-14.27263101 6.00290633 7.33306781
-0.00008599 0.00021174 0.00031854
0.00295575 -0.00617491 0.00514626
-10.02671521 7.10448618 -2.70707256
0.00024169 0.00021888 0.00013122
0.00302486 -0.00534511 -0.00269857
-1.60865481 -15.84685683 24.25358452
0.00003061 0.00012089 -0.00054912
-0.05531104 -0.03217693 -0.00496534
-2.57397429 6.44575464 -6.48879449
0.00013484 -0.00025901 0.00010398
-0.01861414 0.00711215 0.00266457
-20.55483599 31.10948506 4.64263166
0.00057401 -0.00005699 -0.00010374
-0.01563798 0.03284535 0.02509662
7.57537313 -0.01645705 8.18415303
-0.00003302 0.00006028 -0.00023957
-0.01218061 0.00659053 -0.03608280
5.42757858 11.21126953 -13.91453005
0.00008959 0.00020435 -0.00024052
-0.01744916 0.01335577 -0.01535170
15.98110277 3.33294904 -1.94299162
-0.00040180 -0.00049678 -0.00011162
0.00977952 -0.02128347 0.00565333
-4.00906406 13.61498081 -1.36522576
-0.00022453 0.00010072 0.00031642
0.00641321 -0.00755625 -0.00068227
4.56458946 12.83846215 3.33922290
-0.00008076 -0.00008975 -0.00008503
0.05315577 0.01798404 -0.00762279
24.81290459 -11.86063012 -9.45438545
0.00000628 0.00009435 -0.00010758
-0.01860068 0.01556226 0.03083605
16.47196427 -3.98898424 -0.30756137
-0.00022217 -0.00000404 -0.00019438
-0.01892910 0.04709775 0.01177686
12.87954508 7.90430385 9.78028310
0.00012511 -0.00005941 0.00018031
-0.01618155 -0.01037267 0.02642634
1.88314653 -13.73993350 17.72390624
-0.00028764 -0.00020644 -0.00005744
-0.02501877 0.03850023 -0.00057399
-4.43146876 -0.55301694 -14.69288463
-0.00005789 -0.00025534 0.00022478
0.03366562 0.01534236 -0.04369610
14.90161911 -8.29970427 -9.18888127
0.00010770 0.00021804 0.00017410
-0.00878920 -0.03940167 -0.02214242
9.00070735 -6.41043730 8.45731474
-0.00017898 -0.00043590 0.00011877
-0.01486678 -0.00607978 0.01263535
-21.33825976 2.26122975 22.51821403
-0.00009402 -0.00007637 0.00019929
-0.00629584 -0.02021014 0.01077757
25.86113527 -3.02369642 -7.58980371
0.00004239 -0.00025733 -0.00039908
-0.01164224 0.00669667 -0.00799562
9.86933985 -14.09265849 -7.59480823
-0.00010936 -0.00011630 -0.00013515
0.00909730 0.02585888 -0.00332769
-6.08374878 -11.92626897 16.66986628
-0.00042828 -0.00051193 0.00019183
-0.01135854 -0.01592334 -0.01648172
8.27085857 3.41590230 -29.57622366
-0.00001060 0.00013771 0.00022202
-0.03285685 -0.01368345 -0.01300327
11.06062255 15.73682193 15.11360194
-0.00015559 -0.00008771 0.00017329
-0.02909515 -0.01881662 -0.01682228
28.38453079 6.14460799 -3.00992308
0.00025702 -0.00024247 -0.00004534
-0.01374619 0.01607415 0.01433824
5.29115084 -31.52517452 -3.35446111
-0.00020853 0.00031540 0.00009367
-0.00279005 0.00587803 0.00083378
4.35533796 -31.33421038 -0.52419088
-0.00057211 -0.00071194 -0.00029021
-0.00850093 0.00212581 -0.01233310
-11.91252795 -4.00365482 -8.66661267
0.00067472 0.00013489 0.00068438
0.00083413 -0.01652852 0.01020108
-12.43230884 -2.33259630 -10.84751634
-0.00036573 0.00034424 0.00057960
-0.00004108 0.00733970 -0.00207699
-38.56465301 2.04686524 1.18531456
-0.00118597 0.00021895 -0.00002057
-0.01111146 -0.00201167 0.01474368
-37.81444540 3.95220899 -0.96981985
-0.00006206 0.00096320 -0.00034820
-0.00054721 0.00178455 0.00061790
-10.86838093 -5.55742583 3.38173870
0.00028433 -0.00069018 -0.00042956
0.01475698 -0.03423394 -0.00437150
-9.87641287 -2.92026949 3.73553970
-0.00042736 -0.00052371 -0.00047141
0.00377246 0.01033611 0.00275964
5.63266691 -2.24667138 9.36244344
-0.00084696 -0.00077294 -0.00083655
0.00858917 0.01601741 -0.00304156
4.13396813 -3.75181569 11.31641073
0.00050636 0.00110727 -0.00024885
0.00387368 -0.00428417 0.00853723
-33.45802057 -2.23335961 -0.55288713
0.00072505 0.00013314 -0.00072064
-0.00422921 0.00043167 0.00142729
-32.62148752 0.58597312 -0.38569721
0.00064944 0.00013970 0.00046692
0.00855980 -0.03461179 0.00062544
14.90344792 13.23352644 -15.95068220
0.00041645 -0.00065062 -0.00013513
-0.00030983 -0.01774093 0.04677348
16.87765183 12.00447495 -14.12607719
-0.00142328 0.00065234 0.00062108
0.03569200 -0.01738437 0.00009979
-8.20976908 7.11202161 1.33610926
-0.00066512 0.00035201 -0.00014448
-0.00561489 0.01111915 -0.00848601
-6.92843669 4.59858957 1.28401941
0.00030784 -0.00086759 -0.00040567
0.00667835 -0.02145404 -0.01771381
6.12351008 12.69576977 -6.93192477
0.00026231 -0.00024223 0.00045411
0.00892194 -0.00875631 0.01766032
8.66266112 13.76538927 -6.05775755
-0.00011930 -0.00043738 -0.00053653
-0.00755153 -0.01627449 0.00610813
8.98917992 9.15703643 -20.84830465
-0.00018622 -0.00010252 0.00062023
0.00682929 -0.00419367 -0.00700761
10.70127708 10.00451718 -18.62765281
0.00049778 0.00007499 -0.00070513
0.02019420 0.01110201 -0.00463873
24.47024259 16.18955831 -2.44614224
-0.00079396 -0.00066711 -0.00040294
-0.01924731 0.01269619 0.00223237
24.03741829 19.08908223 -2.13156633
0.00030159 -0.00077818 -0.00016084
0.01475855 0.00873728 -0.00515288
2.14275311 17.59685457 -20.85620650
-0.00007290 -0.00054469 -0.00016890
-0.01459542 -0.01584553 0.03738959
3.43470674 15.55454032 -19.16212432
-0.00007976 -0.00131814 -0.00047527
-0.01714722 -0.00214578 0.01022983
13.35134201 -2.31539653 -6.79380713
-0.00079886 0.00093522 -0.00047745
-0.01182607 0.01207620 0.00294613
12.84494004 -0.86648088 -4.13896559
0.00040081 -0.00008301 0.00022658
-0.00764075 -0.01177012 -0.00578194
-17.31929712 -3.30360684 3.59727203
0.00024500 0.00099071 -0.00031343
-0.02562894 0.00100987 0.00903404
-14.72588541 -2.93169092 2.86173699
0.00081154 0.00037616 0.00017810
0.02477944 0.00687768 0.00250953
-16.54575483 -0.03560462 20.19466892
0.00022473 -0.00010114 -0.00119331
0.00110877 0.00661127 0.00239391
-15.58528236 -2.71632654 19.92921372
-0.00056192 -0.00033443 -0.00122866
-0.01911485 0.00711676 -0.00653385
-0.90558252 0.76026812 -4.85554225
0.00044753 -0.00000320 -0.00022231
0.00647954 -0.00802969 -0.01015907
-1.05335977 3.49739149 -4.86159270
-0.00000874 0.00012326 0.00079237
0.00557791 0.01540880 -0.00860333
23.01516002 -8.76613752 -9.13336294
0.00146141 0.00022958 -0.00026485
0.01531814 -0.02405728 0.00111200
23.44450383 -6.00472769 -8.21353028
0.00116253 -0.00033030 -0.00015779
0.00529661 0.00271612 0.00214406
0.70234181 -5.82187464 5.92403966
-0.00017950 -0.00041550 -0.00072622
-0.00760092 -0.00839206 0.00612864
-0.35166288 -5.26594502 8.58288514
-0.00059429 0.00003349 -0.00003991
0.00222667 -0.00182842 0.00383649
-1.04173560 -3.07575044 -18.75322233
0.00087661 -0.00028632 0.00095779
-0.00458802 0.00344363 -0.00778975
-3.48929544 -2.11068651 -20.06596049
0.00028181 0.00087680 -0.00060292
-0.01145594 -0.01099800 -0.01099103
2.96370193 3.09820958 -10.97412755
0.00043332 -0.00151013 -0.00013478
0.00035368 -0.01238866 0.03082816
1.97907772 2.23892821 -8.09695070
-0.00033269 -0.00010508 -0.00012286
0.01017383 0.01054214 -0.01135069
-2.40246943 16.86517793 12.42901186
0.00005813 -0.00007542 0.00078945
0.01880391 -0.01572499 0.00777169
-3.80595911 19.08961152 13.56859771
0.00026158 0.00084841 0.00014960
0.00349793 0.01643153 0.03071565
-3.94392218 6.19177417 -12.95141277
-0.00086107 0.00058184 0.00044060
0.00745018 -0.02822065 0.04950237
-3.22826476 3.32643498 -12.40928102
0.00110365 -0.00005418 0.00042250
-0.01275657 0.03547957 0.02801802
-7.57620020 2.26224271 -7.59943265
-0.00059077 0.00036537 0.00028850
0.00202385 0.00265840 -0.00911119
-6.89206397 4.11008890 -9.88868598
0.00167147 0.00001037 -0.00012973
-0.00582062 -0.00808947 0.01216843
1.84384017 28.21655106 6.88239933
0.00014382 -0.00054662 0.00022092
0.00626002 0.01366616 -0.01210828
0.08588958 27.51829409 9.02180933
-0.00003262 -0.00020270 0.00040224
-0.01489054 0.00468511 0.00704701
11.06916775 -6.53960039 -0.41664965
-0.00061355 -0.00039494 0.00018235
-0.00368701 0.00141257 -0.02221578
8.96352899 -7.56751232 -2.05727815
-0.00042065 0.00001364 -0.00072612
0.00405799 0.00804747 -0.00551235
-7.18110033 -0.02999515 6.55163654
0.00076337 0.00077073 -0.00070267
-0.01326666 0.00263235 -0.00462161
-10.22871379 -0.18218637 6.97930347
0.00091980 -0.00070564 -0.00036515
0.02726595 0.00934698 -0.02202526
21.24515192 10.42161775 10.43230417
0.00068112 0.00037601 -0.00071732
0.00417393 -0.00194612 0.00469108
20.51276553 12.58305448 8.57267609
0.00017867 -0.00026501 0.00052915
0.01189187 -0.02901004 -0.00053981
-1.79091623 -2.93730569 -26.00413285
-0.00005890 0.00014341 0.00012264
0.03052048 -0.02677932 0.01683734
-4.40659405 -2.26411343 -26.23546061
0.00020453 -0.00026935 -0.00009682
-0.05411802 0.00019634 0.02244197
-14.67902758 7.12380006 8.71186149
0.00087796 -0.00035285 0.00097941
-0.00351540 0.00118934 -0.00307493
-14.21335767 7.11040557 5.89100996
-0.00073120 -0.00019827 -0.00000105
-0.00642677 0.00663671 -0.00728915
-11.21602397 6.81098368 -4.05297317
0.00043843 -0.00054273 0.00050759
-0.01593893 -0.00551931 0.00278013
-8.91804684 8.08141410 -3.75296642
0.00022310 -0.00005861 0.00008467
0.02016271 0.01649532 0.00007092
-1.19067292 -17.56253067 23.52510352
-0.00033730 0.00015298 -0.00003534
0.00866806 0.02210903 0.00679482
-3.51948413 -16.01150746 24.49558302
-0.00131037 0.00023309 0.00011146
0.04352121 0.01144597 -0.00240162
-3.28714910 5.67999272 -8.00070506
-0.00038664 -0.00048133 -0.00020892
0.01081915 0.00208689 0.00008775
-3.94563554 7.62324700 -5.99420701
-0.00019333 0.00082087 -0.00018934
0.00837180 -0.00234642 0.00015843
-21.75538144 30.03939132 3.76187157
0.00073478 0.00080884 -0.00132225
-0.00718934 -0.01140885 -0.02060051
-21.80043268 32.23037762 5.54867123
0.00078504 0.00057835 -0.00104172
0.02437213 -0.01900781 -0.00330540
6.86184560 -0.21204214 6.40876268
0.00015983 -0.00030911 0.00015324
0.01613259 -0.00910932 0.02197823
6.86105354 1.59435759 8.61738957
0.00083093 0.00015923 0.00055612
0.00258274 0.00860398 0.00598193
6.70389110 12.33957226 -13.26322643
-0.00008833 0.00080490 0.00020372
0.00364112 0.00637525 -0.00406907
4.58187591 12.21887811 -15.30121575
0.00006857 -0.00070865 0.00096021
0.01945491 -0.01802553 0.03057791
14.62833185 4.48384999 -2.36832407
-0.00018022 -0.00046717 -0.00091671
-0.01181871 -0.00215249 -0.00914299
15.50698739 1.56962169 -2.29197722
-0.00032642 -0.00001069 0.00083612
0.00143049 0.02272229 0.00063566
-2.46355208 13.38844499 -0.44215062
-0.00027414 0.00014792 0.00028977
0.01190074 0.00160438 -0.00651153
-5.19175849 13.29213704 -0.02197902
-0.00018712 -0.00033447 0.00077571
-0.02003072 -0.00759345 0.00682688
3.64273417 11.31796375 3.63628814
-0.00015853 -0.00162961 0.00041675
-0.01756884 -0.03061093 -0.00008733
6.40971067 12.42482785 3.50515345
0.00036694 -0.00001394 0.00049694
-0.02560468 -0.00307745 -0.00311185
24.85265572 -13.54321997 -8.81436847
0.00079438 -0.00008434 0.00020275
0.00120900 -0.00820072 0.00480301
25.45796876 -11.82885337 -11.09895793
0.00081290 0.00081753 0.00066058
0.02094908 -0.00226542 -0.03966764
14.71731408 -3.76568584 -0.83667465
-0.00047898 -0.00047814 -0.00020448
0.01875981 0.00138441 0.00463520
17.04687314 -5.58454194 -0.78907329
0.00060230 0.00033088 0.00026124
0.01310355 -0.03451483 -0.01413659
11.71030719 7.84376522 11.30265306
0.00022241 0.00028773 -0.00036975
0.02323930 0.01466659 -0.02423200
13.01883697 9.57367115 9.05514247
-0.00081004 -0.00044536 0.00017363
0.00002448 0.00814314 0.00921691
0.26213406 -14.20517467 16.94231515
-0.00080479 0.00021702 0.00007794
0.00722708 -0.01281624 0.00310096
1.52754143 -11.90938447 18.04717091
-0.00009424 -0.00019367 0.00014248
0.01676356 -0.02697962 0.00105641
-4.41423657 -1.82565272 -13.46329236
0.00053801 -0.00025445 -0.00077108
0.00345214 -0.02758855 0.02877779
-3.15802319 -1.09633336 -16.06871976
0.00025036 0.00094336 0.00082335
-0.02939833 0.01460481 0.02196804
15.13760111 -8.70175045 -11.05118540
-0.00105751 0.00110657 0.00056459
-0.00809490 0.01172879 0.01898648
15.90607877 -6.89628207 -8.77828724
0.00030081 0.00170880 0.00017575
0.02219555 0.02604922 -0.00356425
7.39157575 -5.59419640 8.90949565
-0.00095216 0.00009039 0.00058190
-0.00248750 -0.00529421 0.00995822
9.40690519 -5.36765703 7.05723151
-0.00079734 -0.00018141 0.00059833
0.01709027 0.00641862 -0.01957828
-20.82197458 2.26795611 20.77661904
0.00055460 0.00072354 -0.00046080
-0.00280442 0.00026755 -0.00912478
-22.08505975 0.57528537 22.86964482
0.00067716 -0.00002515 0.00086100
0.00591486 0.01936462 0.00052489
26.45320409 -2.70275328 -5.88193722
-0.00031917 -0.00064866 -0.00020882
0.00224340 0.00446311 0.00062753
25.49488709 -1.34201319 -8.29694241
-0.00081520 0.00002054 -0.00008462
0.00535071 -0.00953670 0.00748294
9.22069375 -15.78442261 -7.65491379
-0.00000352 -0.00076207 0.00009869
-0.01506850 -0.01308382 0.00002773
8.58438754 -12.95825529 -6.89952833
-0.00020667 0.00053500 -0.00053036
0.00737882 -0.00683125 -0.00303118
-5.30101070 -10.78911374 17.79510615
-0.00056962 -0.00028313 -0.00023632
0.01341427 0.01647639 0.02347947
-6.46574274 -10.86498817 15.20373319
-0.00155576 0.00013776 0.00030168
-0.00256400 -0.00260083 -0.00125330
9.83493257 2.72061562 -30.12083714
-0.00051841 -0.00092101 0.00147561
0.01586248 -0.01117328 -0.00369118
6.91969247 2.48826869 -30.55076329
-0.00041594 0.00113645 -0.00092365
0.01492824 0.01763966 0.01826651
12.40542182 14.70154440 14.29682353
0.00037870 -0.00055606 0.00082661
0.00509651 0.00649921 0.00853538
11.27896249 16.31638877 16.79600055
-0.00048146 -0.00036713 -0.00095662
0.01576552 -0.00239136 0.01987858
28.68827425 5.09712003 -4.46870634
0.00086737 -0.00035841 -0.00014049
-0.00686938 0.00203740 -0.00682910
26.67966073 6.98263482 -3.06499819
0.00010312 -0.00048394 -0.00023227
0.01984045 -0.01548378 -0.01368037
-9.97973494 4.91820199 6.98573734
0.00000698 0.00007435 -0.00003587
0.00341992 -0.01415568 -0.01250411
-8.64165733 13.20251757 2.55141825
-0.00006311 0.00008512 0.00008289
0.00415001 0.00020050 -0.00178522
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09533753
0.31437037
418.88275448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3946690243 (a.u.)
total exchange computation time: 2.6137320995 s
-154.3087987339
-931.41382236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3941568014 (a.u.)
total exchange computation time: 2.6147851944 s
-154.3139156642
Anderson extrapolation: theta=1.3449040790 (1.3449040790)
-931.41404016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3933611669 (a.u.)
total exchange computation time: 2.6152811050 s
-154.3214142897
Anderson extrapolation: theta=0.0526653770 (0.0526653770)
-931.41416990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3932345820 (a.u.)
total exchange computation time: 2.6123280525 s
-154.3223480451
Anderson extrapolation: theta=1.8713845504 (1.8713845504)
-931.41417465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3929689533 (a.u.)
total exchange computation time: 2.6145329475 s
-154.3242252412
Anderson extrapolation: theta=0.2277361175 (0.2277361175)
-931.41417929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3928978408 (a.u.)
total exchange computation time: 2.6157009602 s
-154.3246552628
Anderson extrapolation: theta=1.8212691471 (1.8212691471)
-931.41418014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3927854676 (a.u.)
total exchange computation time: 2.6151950359 s
-154.3252533556
Anderson extrapolation: theta=0.3045698840 (0.3045698840)
-931.41418110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3927704761 (a.u.)
total exchange computation time: 2.6152691841 s
-154.3252500523
Anderson extrapolation: theta=1.2917030755 (1.2917030755)
-931.41418134
-72.582239 23.487519 54.499884
558.892490 1032.615766 -412.426899
486.310251 1056.103285 -357.927015
1216.537528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3927672364 (a.u.)
total exchange computation time: 2.6142029762 s
679.19446365
-1084.31157137
89.78053986
-388.78186545
-174.90298094
78.59291960
551.60419304
0.00000000
-931.41418149
3.89004106 -30.90182735 -2.27767938
0.00006990 0.00035825 -0.00007350
0.00364524 -0.00707999 0.01967027
-11.95574322 -2.24058785 -9.09505601
0.00033276 0.00017039 -0.00018190
-0.00158538 0.02149381 -0.01005032
-37.38984778 2.33810916 -0.13186645
-0.00003030 0.00020947 0.00010831
0.00937442 -0.00236915 -0.00851423
-11.38742443 -3.92775371 3.86708072
-0.00039238 0.00008871 0.00004585
-0.01512829 0.01020828 0.00105130
4.77112469 -3.81954859 9.61497116
-0.00026775 -0.00003909 -0.00030653
-0.01802660 -0.02544435 -0.00759495
-31.97996677 -1.17480633 -0.71820637
0.00022361 0.00044374 0.00019544
-0.01902701 0.04568296 0.00523787
15.19086723 12.53984466 -14.08655735
-0.00045884 0.00007180 0.00012378
-0.04644766 0.03003527 -0.04706863
-7.72600214 5.75403208 2.40197386
-0.00007624 0.00030183 0.00015444
0.00233829 0.00653814 0.02731479
7.32890828 12.47952400 -5.50530389
0.00031047 0.00021665 -0.00009928
0.00491082 0.01829127 -0.03809209
9.00026230 9.73788091 -19.13294197
-0.00024006 0.00024760 0.00013078
-0.02768794 -0.00624264 0.01292090
23.14546436 17.51728804 -2.10332020
0.00045150 -0.00041634 -0.00009718
0.00180113 -0.01991134 0.00625065
2.15750325 16.93541125 -19.02501264
0.00007431 -0.00001625 -0.00041196
0.02007536 0.01447043 -0.05101368
14.07737147 -1.54144494 -5.29906380
-0.00000470 0.00028007 0.00006725
0.01821622 -0.00051051 -0.01303031
-16.13655074 -1.94229539 3.41080617
-0.00006537 0.00020285 -0.00032216
0.00910964 0.01116938 -0.00239788
-17.07300175 -1.68057408 19.50379619
0.00026264 -0.00018432 -0.00015138
0.01734790 -0.01306863 0.00040751
0.20108154 2.20153783 -5.23282900
0.00021537 -0.00020276 0.00016764
-0.01405834 -0.00480079 0.01306078
22.26049004 -7.15957831 -8.98423604
-0.00002629 0.00000726 -0.00004675
-0.00856461 0.01958645 0.00385516
-0.43169085 -6.48916692 7.24315769
-0.00000156 0.00020036 0.00000705
-0.00157866 0.00406309 -0.00496100
-1.95967281 -1.55920766 -19.26094723
0.00011931 0.00018365 -0.00012699
0.01969949 -0.00248188 0.01838447
3.43292608 2.30936235 -9.30027626
-0.00025396 -0.00007866 -0.00001523
-0.00973310 0.00125896 -0.01559175
-3.61194259 18.14597535 12.08192281
-0.00013911 -0.00033208 0.00005563
-0.02619963 0.00577145 -0.03272750
-3.59411443 4.98702770 -11.42531895
-0.00032513 0.00006609 0.00038503
0.00134287 -0.01283231 -0.08555591
-8.26580199 3.34641654 -8.90868075
0.00018946 -0.00034062 -0.00004714
0.00585920 0.00762367 -0.00902983
1.73723583 27.22594182 8.38259303
0.00052314 0.00029466 0.00004472
0.00770703 -0.02083171 0.01871298
10.15924520 -6.16891998 -2.03784735
-0.00024069 -0.00005336 0.00000105
-0.00023189 -0.01051124 0.03349319
-8.86826966 0.47222598 5.81448137
0.00018336 0.00018846 0.00022590
-0.02070897 -0.00622646 0.02356644
20.54669336 10.67254103 8.77452953
-0.00021389 -0.00005039 0.00008539
-0.01370076 0.03494820 -0.01178864
-2.91340872 -2.17568700 -27.13109429
0.00044178 0.00003055 -0.00019362
0.02315814 0.02331714 -0.03860950
-14.27390953 6.00605854 7.33786581
-0.00008439 0.00020827 0.00032113
0.00330038 -0.00731224 0.00490988
-10.02307814 7.10774873 -2.70511465
0.00024347 0.00021602 0.00013033
0.00386844 -0.00575061 -0.00078412
-1.60840902 -15.84516757 24.24532859
0.00000052 0.00010484 -0.00055117
-0.06170430 -0.03025868 -0.00302414
-2.57202342 6.44189696 -6.48722457
0.00012399 -0.00025491 0.00010493
-0.02359790 0.00881237 0.00104579
-20.54628609 31.10875697 4.64117232
0.00056624 -0.00004022 -0.00009123
-0.01458152 0.03236026 0.02357850
7.57483087 -0.01552741 8.18042024
-0.00003890 0.00006346 -0.00025737
-0.01070095 0.00578399 -0.03312155
5.42885508 11.21438625 -13.91819704
0.00008208 0.00021063 -0.00024649
-0.01175570 0.01106648 -0.00785554
15.97511356 3.32541523 -1.94464408
-0.00039659 -0.00050642 -0.00010840
0.01045609 -0.01619103 0.00685301
-4.01240725 13.61646240 -1.36048216
-0.00022183 0.00009667 0.00031664
0.00409126 -0.00819517 0.00157586
4.56358308 12.83718520 3.33791808
-0.00005434 -0.00008310 -0.00008848
0.04957179 0.00789341 -0.00579967
24.81292705 -11.85915479 -9.45588028
-0.00000358 0.00010176 -0.00009080
-0.01976006 0.01323067 0.03443950
16.46855870 -3.98886310 -0.31043162
-0.00023221 0.00002046 -0.00018837
-0.02012427 0.04815862 0.01160308
12.88135933 7.90337264 9.78308963
0.00011713 -0.00006523 0.00019362
-0.01484642 -0.01225435 0.02535913
1.87873538 -13.74288166 17.72304243
-0.00030083 -0.00018682 -0.00005789
-0.02626453 0.03780878 -0.00116983
-4.43220732 -0.55678791 -14.68968142
-0.00004083 -0.00024615 0.00020185
0.03267612 0.02042046 -0.04549811
14.90320068 -8.29658569 -9.18635519
0.00010465 0.00020044 0.00016451
-0.00306257 -0.02904014 -0.01513794
8.99796535 -6.41699926 8.45914499
-0.00018823 -0.00043870 0.00012627
-0.02112330 -0.00480251 0.01653404
-21.33969438 2.26000619 22.52124491
-0.00009650 -0.00008604 0.00020334
-0.00335023 -0.01739383 0.00497957
25.86172618 -3.02753050 -7.59582073
0.00003628 -0.00025354 -0.00040341
-0.01211107 0.00803066 -0.00883282
9.86773461 -14.09430328 -7.59684836
-0.00010533 -0.00010359 -0.00013682
0.00656707 0.02356787 -0.00314521
-6.09021675 -11.93400935 16.67268016
-0.00043443 -0.00051969 0.00018246
-0.01255827 -0.01426022 -0.01994652
8.27057287 3.41791514 -29.57294359
-0.00002854 0.00013089 0.00021524
-0.03691104 -0.01281834 -0.01332468
11.05817642 15.73543368 15.11613644
-0.00017032 -0.00009847 0.00016203
-0.02816131 -0.02301692 -0.02695935
28.38833309 6.14103297 -3.01054784
0.00025003 -0.00023444 -0.00003837
-0.01343835 0.01514026 0.01276296
5.28793740 -31.52026342 -3.35303056
-0.00021791 0.00033832 0.00009579
-0.00180351 0.00534439 0.00020564
4.34649585 -31.34482431 -0.52892198
-0.00060594 -0.00070301 -0.00033848
-0.00806078 0.00224373 -0.01129581
-11.90238153 -4.00213796 -8.65603433
0.00067764 0.00007118 0.00072345
0.00059222 -0.01465601 0.00892221
-12.43779602 -2.32720780 -10.83888600
-0.00036800 0.00037273 0.00056272
-0.00107327 0.00660628 -0.00618421
-38.58278301 2.05008792 1.18545783
-0.00122342 0.00021234 0.00003042
-0.00721955 -0.00122624 0.01021358
-37.81539308 3.96671168 -0.97502394
-0.00006209 0.00096150 -0.00034129
0.00053185 -0.00261479 0.00276451
-10.86366375 -5.56882762 3.37516137
0.00033813 -0.00081275 -0.00044181
0.01157683 -0.02576276 -0.00162515
-9.88270763 -2.92780840 3.72855314
-0.00040784 -0.00047783 -0.00046046
0.00578104 0.01212196 0.00260134
5.62022574 -2.25777464 9.34980199
-0.00080526 -0.00069611 -0.00085218
0.01182405 0.02158879 -0.00460725
4.14168222 -3.73533788 11.31293954
0.00052064 0.00108850 -0.00021104
0.00311480 -0.00490533 0.00997269
-33.44727444 -2.23134933 -0.56365304
0.00070314 0.00013303 -0.00071419
-0.00649283 -0.00048219 0.00173363
-32.61148357 0.58700807 -0.37867425
0.00068160 0.00000217 0.00047030
0.00718195 -0.03270985 0.00102896
14.90968520 13.22322354 -15.95127583
0.00041317 -0.00072155 0.00005528
-0.00129614 -0.01697897 0.04643274
16.85739631 12.01372738 -14.11675798
-0.00125738 0.00057502 0.00062258
0.04551720 -0.02046460 0.00063767
-8.21991799 7.11764250 1.33368200
-0.00068549 0.00039115 -0.00017617
-0.00435500 0.00804196 -0.00702411
-6.92361451 4.58491829 1.27739160
0.00032470 -0.00093984 -0.00046582
0.00157606 -0.01391043 -0.01173044
6.12771820 12.69186803 -6.92457196
0.00029465 -0.00027721 0.00052158
0.00690717 -0.00836816 0.01536919
8.66064024 13.75832988 -6.06561835
-0.00014595 -0.00049960 -0.00051230
-0.00549400 -0.01418448 0.00575416
8.98659582 9.15537009 -20.83921594
-0.00015987 -0.00012160 0.00058562
0.00606902 -0.00514623 -0.00993181
10.70936256 10.00598223 -18.63837188
0.00057240 0.00011957 -0.00072498
0.01633279 0.01071911 -0.00507706
24.45774346 16.17994071 -2.45211792
-0.00086670 -0.00061862 -0.00039455
-0.01636197 0.01103834 0.00187298
24.04239436 19.07767720 -2.13413678
0.00036517 -0.00073785 -0.00018197
0.01636734 0.01100548 -0.00519182
2.14121230 17.58819865 -20.85759426
-0.00013216 -0.00060756 -0.00001990
-0.01440974 -0.01492989 0.03554591
3.43298494 15.53470247 -19.16893986
-0.00015467 -0.00132012 -0.00043241
-0.01952201 0.00117856 0.01075064
13.33899669 -2.30099825 -6.80087859
-0.00084361 0.00098740 -0.00045964
-0.01007633 0.01346991 0.00576983
12.85071802 -0.86808675 -4.13574414
0.00036646 -0.00012873 0.00020659
-0.00917141 -0.01060976 -0.00399998
-17.31640740 -3.28871517 3.59284741
0.00013348 0.00098455 -0.00027621
-0.02896514 -0.00402565 0.00918753
-14.71295298 -2.92583782 2.86448542
0.00090560 0.00040739 0.00019080
0.02126565 0.00841177 0.00370705
-16.54234986 -0.03691917 20.17684260
0.00023107 -0.00007180 -0.00118120
0.00199150 0.00775035 0.00353674
-15.59429696 -2.72112490 19.91058354
-0.00063028 -0.00031058 -0.00125154
-0.01434803 0.00456019 -0.00466308
-0.89867107 0.75997408 -4.85918822
0.00047089 -0.00003971 -0.00026242
0.00495613 -0.00984226 -0.00947551
-1.05331992 3.49971249 -4.84997082
0.00001889 0.00018061 0.00075539
0.00794753 0.01266658 -0.00949489
23.03755053 -8.76343107 -9.13730163
0.00151814 0.00013771 -0.00026073
0.01245091 -0.02091300 0.00090516
23.46210409 -6.00959899 -8.21583136
0.00117737 -0.00032157 -0.00015247
0.00196612 0.00155853 0.00045981
0.69941644 -5.82836426 5.91333419
-0.00021144 -0.00044897 -0.00069835
-0.00803583 -0.00799119 0.00751404
-0.36050894 -5.26549872 8.58240412
-0.00058395 0.00002838 -0.00002357
0.00283157 -0.00067261 0.00415951
-1.02872698 -3.07993971 -18.73909417
0.00084860 -0.00026073 0.00092052
-0.00912274 0.00908231 -0.01045490
-3.48541930 -2.09787155 -20.07534113
0.00023461 0.00082947 -0.00064756
-0.01164991 -0.01217133 -0.01086021
2.97021259 3.07517796 -10.97520451
0.00043178 -0.00155647 -0.00001516
-0.00110836 -0.01029486 0.02772263
1.97439906 2.23767504 -8.09914142
-0.00029169 -0.00006170 -0.00016888
0.00989822 0.01069561 -0.01117799
-2.40102128 16.86356479 12.44109179
0.00013381 -0.00013814 0.00082060
0.01824140 -0.01497856 0.00747408
-3.80192822 19.10284114 13.57178291
0.00027741 0.00090866 0.00026364
0.00425063 0.01306142 0.02510791
-3.95661001 6.19963699 -12.94328688
-0.00082943 0.00046397 0.00064394
0.00803793 -0.02947897 0.05003509
-3.21210096 3.32670950 -12.40208497
0.00104924 0.00009361 0.00053734
-0.01387779 0.03686409 0.02819867
-7.58499972 2.26780477 -7.59538431
-0.00057908 0.00037164 0.00025663
0.00369612 0.00040799 -0.00648928
-6.86717029 4.10999659 -9.89025909
0.00163465 -0.00002979 -0.00007130
-0.01220391 -0.01157038 0.01643326
1.84618926 28.20877052 6.88534210
0.00016913 -0.00048551 0.00016310
0.00613120 0.01624631 -0.01619553
0.08494397 27.51539708 9.02805890
-0.00008355 -0.00018465 0.00042670
-0.01003823 0.00415204 0.00492797
11.05985150 -6.54548124 -0.41459512
-0.00062900 -0.00038910 0.00009125
-0.00387728 0.00144811 -0.02238004
8.95734355 -7.56706108 -2.06833888
-0.00040334 0.00004728 -0.00074802
0.00441490 0.00842047 -0.00520993
-7.17005639 -0.01835353 6.54095486
0.00070783 0.00078033 -0.00072026
-0.01391689 0.00206622 -0.00398893
-10.21408126 -0.19248453 6.97315126
0.00102640 -0.00066941 -0.00045009
0.02491443 0.00838821 -0.01955151
21.25549668 10.42719830 10.42168816
0.00070101 0.00036558 -0.00069141
0.00556175 -0.00315924 0.00799104
20.51581001 12.57819042 8.58059683
0.00022575 -0.00038026 0.00052495
0.01115513 -0.02740618 -0.00151895
-1.79086448 -2.93597512 -26.00177723
0.00006756 0.00003333 0.00019242
0.03137998 -0.02710464 0.01731677
-4.40518438 -2.26814772 -26.23622515
-0.00001048 -0.00026790 -0.00000957
-0.05113232 0.00051638 0.02026519
-14.66596594 7.11854377 8.72645836
0.00086342 -0.00034654 0.00096591
-0.00360046 0.00190049 -0.00353109
-14.22452266 7.10763491 5.89077082
-0.00075764 -0.00017024 -0.00002910
-0.00651598 0.00708385 -0.00644241
-11.20993592 6.80267353 -4.04527413
0.00037089 -0.00056532 0.00051594
-0.01712119 -0.00553410 0.00130911
-8.91408250 8.08104042 -3.75169413
0.00030589 0.00000969 0.00008376
0.02036597 0.01693893 -0.00051628
-1.19546677 -17.55955842 23.52478167
-0.00030136 0.00023972 -0.00000917
0.00892310 0.02034698 0.00601643
-3.53780606 -16.00766035 24.49718136
-0.00111972 0.00028045 0.00009938
0.04980586 0.01173772 -0.00351275
-3.29261715 5.67283668 -8.00383618
-0.00033926 -0.00046931 -0.00020203
0.01237125 0.00379943 0.00328734
-3.94827893 7.63548813 -5.99704221
-0.00015238 0.00080477 -0.00019135
0.01167112 -0.00553300 -0.00114134
-21.74458008 30.05117425 3.74140651
0.00070537 0.00076193 -0.00140559
-0.00720567 -0.01155162 -0.02019348
-21.78791029 32.23847045 5.53294418
0.00088198 0.00050167 -0.00105311
0.02308071 -0.01852908 -0.00226954
6.86473742 -0.21695796 6.41173480
0.00022324 -0.00034446 0.00023884
0.01490484 -0.00819121 0.01992142
6.87359661 1.59700971 8.62591471
0.00084082 0.00019418 0.00057849
0.00225952 0.00850453 0.00496587
6.70267766 12.35184118 -13.26029535
-0.00007779 0.00082686 0.00018414
0.00152235 0.00437057 -0.00551601
4.58350068 12.20769593 -15.28587553
0.00014086 -0.00077321 0.00107271
0.01593101 -0.01357272 0.02449059
14.62526632 4.47677649 -2.38235489
-0.00022741 -0.00047628 -0.00095305
-0.01127865 -0.00230659 -0.00864736
15.50213493 1.57015769 -2.27941601
-0.00032296 0.00007232 0.00083640
0.00026221 0.01791134 -0.00049876
-2.46729945 13.39071292 -0.43800366
-0.00022449 0.00015441 0.00026338
0.01239984 0.00157177 -0.00640324
-5.19517910 13.28688725 -0.01013411
-0.00026507 -0.00036388 0.00079849
-0.01812412 -0.00680014 0.00432087
3.63981786 11.29258155 3.64253672
-0.00021944 -0.00173548 0.00041301
-0.01224484 -0.02120995 -0.00174278
6.41443019 12.42452452 3.51251225
0.00025797 -0.00002473 0.00048320
-0.02773975 -0.00220627 -0.00361568
24.86460843 -13.54473637 -8.81117999
0.00079922 -0.00011265 0.00022004
0.00115903 -0.00565784 0.00365673
25.47080414 -11.81665978 -11.09026472
0.00090102 0.00080776 0.00049325
0.02218749 -0.00252107 -0.04224088
14.71070421 -3.77281553 -0.83959986
-0.00039969 -0.00047341 -0.00018519
0.02005379 0.00093149 0.00480703
17.05630918 -5.58063645 -0.78558785
0.00065566 0.00018836 0.00020313
0.01301746 -0.03524685 -0.01430943
11.71435545 7.84853064 11.29636431
0.00031358 0.00034577 -0.00046318
0.02139072 0.01374262 -0.02150371
13.00668718 9.56724033 9.05802933
-0.00080880 -0.00040666 0.00020797
0.00057930 0.01079972 0.00759220
0.25028369 -14.20231209 16.94357932
-0.00077202 0.00016496 0.00009162
0.00881135 -0.01266987 0.00359493
1.52664152 -11.91311629 18.04934052
-0.00002578 -0.00030305 0.00014680
0.01674547 -0.02656002 0.00105536
-4.40606062 -1.83031487 -13.47397678
0.00055138 -0.00037528 -0.00064544
0.00309231 -0.03155969 0.03272575
-3.15516865 -1.08173538 -16.05569640
0.00013337 0.00100081 0.00090825
-0.02786963 0.01351785 0.01959358
15.12149043 -8.68479243 -11.04213478
-0.00108856 0.00115217 0.00063501
-0.00710550 0.01059058 0.01548785
15.91127104 -6.86985186 -8.77576018
0.00037781 0.00179601 0.00015504
0.01549958 0.01664252 -0.00657367
7.37721708 -5.59300272 8.91852936
-0.00095141 0.00006318 0.00061952
0.00285434 -0.00802746 0.00845634
9.39546883 -5.37018144 7.06560652
-0.00072591 -0.00015209 0.00051360
0.01787298 0.00793159 -0.02189612
-20.81374146 2.27881748 20.76942747
0.00053852 0.00072223 -0.00048482
-0.00506872 -0.00090918 -0.00263382
-22.07472113 0.57550147 22.88257586
0.00069994 0.00005039 0.00086160
0.00523897 0.01761355 -0.00022977
26.44848527 -2.71234645 -5.88505036
-0.00030995 -0.00062974 -0.00020623
0.00226977 0.00480128 0.00064286
25.48282299 -1.34199731 -8.29798236
-0.00079218 -0.00002167 -0.00005216
0.00592143 -0.01112364 0.00840307
9.22017925 -15.79625460 -7.65343263
-0.00006243 -0.00080674 0.00009928
-0.01377205 -0.00878086 0.00026038
8.58151355 -12.95043956 -6.90757661
-0.00017377 0.00050317 -0.00054378
0.00872752 -0.00875099 -0.00353671
-5.30914398 -10.79285584 17.79228086
-0.00051359 -0.00021460 -0.00013853
0.01401437 0.01706822 0.02438662
-6.48915767 -10.86300140 15.20821999
-0.00156405 0.00012260 0.00030125
-0.00149397 -0.00482172 0.00104475
9.82764256 2.70645813 -30.09881605
-0.00044841 -0.00096950 0.00145854
0.01840032 -0.01256287 -0.00466415
6.91391081 2.50585602 -30.56405830
-0.00035253 0.00120912 -0.00084626
0.01611321 0.01792905 0.01961680
12.41125846 14.69340271 14.30948425
0.00039622 -0.00052667 0.00086170
0.00347989 0.00788557 0.00863982
11.27222375 16.31080851 16.78226038
-0.00041489 -0.00036993 -0.00085592
0.01681712 0.00102189 0.02941685
28.70107438 5.09180638 -4.47102288
0.00083846 -0.00034799 -0.00016538
-0.00728365 0.00306018 -0.00535613
26.68181547 6.97490123 -3.06890139
0.00018401 -0.00054695 -0.00028816
0.01975526 -0.01535871 -0.01368113
-9.97962111 4.91927924 6.98516577
0.00000818 0.00006926 -0.00004034
0.00332631 -0.01426608 -0.01251968
-8.64259673 13.20379469 2.55265842
-0.00006214 0.00008515 0.00008246
0.00415467 0.00008229 -0.00183977
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09536716
0.31881433
424.80410624
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3913143427 (a.u.)
total exchange computation time: 2.7481410503 s
-154.2912142296
-931.41801742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3908851687 (a.u.)
total exchange computation time: 2.7458848953 s
-154.2958766640
Anderson extrapolation: theta=1.3588495221 (1.3588495221)
-931.41823457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3902227856 (a.u.)
total exchange computation time: 2.7453598976 s
-154.3027100819
Anderson extrapolation: theta=0.0585178922 (0.0585178922)
-931.41836692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3901233469 (a.u.)
total exchange computation time: 2.7474889755 s
-154.3035377544
Anderson extrapolation: theta=2.0464043735 (2.0000000000)
-931.41837277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3899127467 (a.u.)
total exchange computation time: 2.7505350113 s
-154.3052244094
Anderson extrapolation: theta=0.2706877815 (0.2706877815)
-931.41837945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3898603078 (a.u.)
total exchange computation time: 2.7465059757 s
-154.3055887078
Anderson extrapolation: theta=1.5998603302 (1.5998603302)
-931.41838090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3898004025 (a.u.)
total exchange computation time: 2.7469570637 s
-154.3059368696
Anderson extrapolation: theta=0.3210386935 (0.3210386935)
-931.41838243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3898041710 (a.u.)
total exchange computation time: 2.7502760887 s
-154.3058335977
Anderson extrapolation: theta=1.1410683895 (1.1410683895)
-931.41838285
-72.586032 23.442730 54.530103
558.908907 1032.594254 -412.426082
486.322875 1056.036983 -357.895979
1216.475885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3898243119 (a.u.)
total exchange computation time: 2.7474050522 s
679.15620396
-1084.20805210
89.77455775
-388.85498030
-174.89628814
78.53221929
551.60419304
0.00000000
-931.41838314
3.89110366 -30.89648093 -2.27870608
0.00007144 0.00035461 -0.00006354
0.00234059 -0.00705406 0.01906946
-11.95075791 -2.23794915 -9.09782330
0.00033230 0.00018094 -0.00018565
-0.00022797 0.01954466 -0.00452877
-37.39026616 2.34124204 -0.13027459
-0.00002680 0.00020906 0.00010457
0.00424741 0.00076694 -0.00604893
-11.39336851 -3.92638372 3.86777258
-0.00039974 0.00009129 0.00004572
-0.01346859 -0.00015446 -0.00159097
4.76703891 -3.82023304 9.61034389
-0.00027756 -0.00005330 -0.00031031
-0.02010670 -0.02983000 -0.00708728
-31.97668598 -1.16797400 -0.71525452
0.00021471 0.00046667 0.00019791
-0.01558243 0.04348889 0.00434430
15.18380545 12.54103755 -14.08488225
-0.00048454 0.00008773 0.00009966
-0.05350570 0.03190490 -0.04671325
-7.72713676 5.75858477 2.40439589
-0.00007405 0.00030409 0.00016646
0.00617156 0.00226099 0.01942263
7.33358427 12.48284434 -5.50693997
0.00031292 0.00022532 -0.00011800
0.00462383 0.01542911 -0.03471106
8.99655466 9.74157085 -19.13093045
-0.00025296 0.00024470 0.00013823
-0.02249646 -0.00504886 0.01604478
23.15224377 17.51096620 -2.10475376
0.00045116 -0.00042633 -0.00009385
-0.00311560 -0.01896024 0.00670168
2.15869540 16.93522335 -19.03138879
0.00008510 -0.00000987 -0.00043745
0.02185828 0.01032036 -0.04813263
14.07737129 -1.53724591 -5.29810538
0.00000460 0.00027920 0.00005938
0.01793028 -0.00287092 -0.01753959
-16.13749622 -1.93920957 3.40596449
-0.00005896 0.00020927 -0.00032371
0.01584261 0.01381835 -0.00363028
-17.06899529 -1.68338929 19.50152708
0.00026997 -0.00019051 -0.00015190
0.01116846 -0.01100595 -0.00241456
0.20425784 2.19847795 -5.23026400
0.00020800 -0.00020403 0.00017439
-0.01458447 -0.00014590 0.01317790
22.26006268 -7.15939380 -8.98492239
-0.00002901 0.00001660 -0.00004430
-0.00203125 0.01673057 0.00566497
-0.43172041 -6.48614588 7.24324429
-0.00000241 0.00020204 0.00000408
-0.00172845 0.00246366 -0.00658142
-1.95780714 -1.55646255 -19.26278114
0.00013045 0.00018135 -0.00011701
0.02360121 -0.00644230 0.02042716
3.42907916 2.30818734 -9.30056492
-0.00025839 -0.00007858 -0.00002233
-0.00750926 -0.00097609 -0.01199488
-3.61413027 18.14101640 12.08263094
-0.00015251 -0.00032849 0.00004056
-0.02590719 0.00820171 -0.02584847
-3.59898622 4.98796952 -11.41987356
-0.00032432 0.00005948 0.00034118
0.00181991 -0.01287201 -0.08494740
-8.26293744 3.34133669 -8.90942263
0.00019352 -0.00033536 -0.00005342
0.00993078 0.01283728 -0.01540095
1.74511264 27.23028139 8.38333603
0.00052583 0.00028355 0.00005582
0.00275758 -0.02239168 0.02443102
10.15563392 -6.16976086 -2.03770240
-0.00024089 -0.00005877 0.00001811
-0.00053988 -0.01055340 0.03286064
-8.86559921 0.47502887 5.81796085
0.00017360 0.00018574 0.00023716
-0.01723478 -0.00433822 0.02020679
20.54343219 10.67192001 8.77576487
-0.00022109 -0.00003276 0.00007885
-0.01429268 0.03358858 -0.01362440
-2.90669273 -2.17513876 -27.13414746
0.00045243 0.00004235 -0.00021250
0.01827329 0.02254246 -0.03481351
-14.27516258 6.00915435 7.34270170
-0.00008261 0.00020428 0.00032353
0.00362173 -0.00818366 0.00442267
-10.01941122 7.11096693 -2.70316280
0.00024573 0.00021304 0.00013027
0.00492296 -0.00584912 0.00056602
-1.60863925 -15.84371174 24.23704934
-0.00003249 0.00008992 -0.00055222
-0.06666373 -0.02773308 -0.00106602
-2.57025461 6.43810726 -6.48564658
0.00011072 -0.00024998 0.00010508
-0.02799696 0.01037019 -0.00045374
-20.53784869 31.10827852 4.63989487
0.00055902 -0.00002393 -0.00007968
-0.01352547 0.03097969 0.02133746
7.57420605 -0.01455315 8.17643192
-0.00004400 0.00006633 -0.00027345
-0.00910253 0.00537043 -0.02940368
5.43004089 11.21758833 -13.92192464
0.00007769 0.00021554 -0.00024831
-0.00530790 0.00805096 0.00077099
15.96920501 3.31775651 -1.94624367
-0.00039107 -0.00051320 -0.00010458
0.01100608 -0.01017656 0.00800518
-4.01571888 13.61788077 -1.35572641
-0.00022035 0.00009226 0.00031812
0.00166730 -0.00892684 0.00415226
4.56295913 12.83596914 3.33656851
-0.00002991 -0.00008157 -0.00009100
0.04543750 -0.00193838 -0.00400841
24.81279706 -11.85757737 -9.45710941
-0.00001385 0.00010793 -0.00007265
-0.02016312 0.01076510 0.03614765
16.46499788 -3.98837043 -0.31321236
-0.00024255 0.00004506 -0.00018252
-0.02008883 0.04752127 0.01111883
12.88305904 7.90234688 9.78609180
0.00010998 -0.00007192 0.00020620
-0.01296163 -0.01376448 0.02353632
1.87412161 -13.74553813 17.72216960
-0.00031457 -0.00016775 -0.00005865
-0.02715665 0.03634030 -0.00179753
-4.43269378 -0.56040134 -14.68682923
-0.00002445 -0.00023464 0.00017850
0.03104217 0.02433203 -0.04529906
14.90475862 -8.29369114 -9.18394590
0.00010452 0.00018819 0.00015863
0.00256406 -0.01858615 -0.00772996
8.99506039 -6.42359826 8.46110280
-0.00020051 -0.00044078 0.00013556
-0.02663802 -0.00327804 0.01960580
-21.34115484 2.25864845 22.52431421
-0.00009743 -0.00009412 0.00020443
-0.00025117 -0.01402257 -0.00074381
25.86222365 -3.03130262 -7.60190590
0.00002996 -0.00024914 -0.00040808
-0.01247425 0.00907881 -0.00935974
9.86618003 -14.09576626 -7.59891275
-0.00010258 -0.00009220 -0.00013842
0.00413286 0.02074419 -0.00308244
-6.09678161 -11.94185974 16.67534017
-0.00044106 -0.00052641 0.00017157
-0.01322164 -0.01187389 -0.02240055
8.27000241 3.41982908 -29.56976632
-0.00004820 0.00012453 0.00020831
-0.03955466 -0.01190940 -0.01362355
11.05551304 15.73386786 15.11846297
-0.00018454 -0.00011131 0.00014576
-0.02715369 -0.02692382 -0.03632933
28.39203172 6.13757474 -3.01107414
0.00024333 -0.00022697 -0.00003225
-0.01263609 0.01390199 0.01102423
5.28461343 -31.51502479 -3.35158742
-0.00022314 0.00035898 0.00009531
-0.00075661 0.00476756 -0.00044176
4.33715973 -31.35530073 -0.53434537
-0.00063777 -0.00069382 -0.00038186
-0.00751758 0.00225784 -0.00993828
-11.89219881 -4.00151930 -8.64490918
0.00067949 0.00001619 0.00075688
0.00031195 -0.01226246 0.00744207
-12.44334897 -2.32141443 -10.83063467
-0.00037458 0.00039814 0.00052930
-0.00214560 0.00583329 -0.01017793
-38.60135547 2.05323545 1.18622706
-0.00124441 0.00020900 0.00006257
-0.00305684 -0.00041126 0.00552784
-37.81630818 3.98105412 -0.98005861
-0.00005789 0.00094239 -0.00032589
0.00152555 -0.00674130 0.00477664
-10.85823707 -5.58180830 3.36848445
0.00037872 -0.00090009 -0.00044263
0.00829392 -0.01698920 0.00122359
-9.88864808 -2.93460440 3.72172601
-0.00038070 -0.00042520 -0.00045016
0.00750464 0.01364015 0.00243696
5.60850921 -2.26755481 9.33687818
-0.00075106 -0.00059780 -0.00087414
0.01470561 0.02653463 -0.00614462
4.14958721 -3.71916071 11.31007954
0.00053213 0.00106725 -0.00016807
0.00250981 -0.00549705 0.01106233
-33.43692623 -2.22936861 -0.57431270
0.00067251 0.00012944 -0.00070658
-0.00850307 -0.00127809 0.00199066
-32.60103947 0.58603835 -0.37158823
0.00070752 -0.00012564 0.00047570
0.00550740 -0.02985596 0.00161319
14.91584305 13.21188007 -15.94902379
0.00040580 -0.00078882 0.00024292
-0.00231065 -0.01595054 0.04541954
16.83993037 12.02172562 -14.10739969
-0.00105499 0.00048635 0.00062655
0.05355290 -0.02294248 0.00130410
-8.23033380 7.12375625 1.33082427
-0.00070046 0.00041717 -0.00020140
-0.00297358 0.00469453 -0.00532740
-6.91869575 4.57039449 1.27004488
0.00032098 -0.00098138 -0.00050184
-0.00339435 -0.00642437 -0.00590165
6.13234963 12.68745343 -6.91627724
0.00031796 -0.00031048 0.00057876
0.00450129 -0.00791585 0.01261661
8.65828265 13.75040118 -6.07312650
-0.00016361 -0.00055270 -0.00048988
-0.00315098 -0.01180612 0.00522015
8.98438367 9.15338835 -20.83073592
-0.00013666 -0.00014436 0.00053983
0.00529392 -0.00599580 -0.01248589
10.71844902 10.00810422 -18.64940210
0.00063010 0.00016248 -0.00074678
0.01191483 0.01028439 -0.00559485
24.44424156 16.17099960 -2.45797880
-0.00092699 -0.00057775 -0.00038791
-0.01315083 0.00896809 0.00137760
24.04837352 19.06694666 -2.13702541
0.00043474 -0.00068938 -0.00020318
0.01768677 0.01272115 -0.00519001
2.13878837 17.57862773 -20.85680354
-0.00019054 -0.00066607 0.00011980
-0.01417069 -0.01370850 0.03283644
3.43006671 15.51493685 -19.17509653
-0.00023831 -0.00130924 -0.00038760
-0.02142113 0.00414679 0.01118240
13.32603382 -2.28577445 -6.80759644
-0.00088120 0.00104491 -0.00043076
-0.00832460 0.01468207 0.00836734
12.85593392 -0.87034286 -4.13276782
0.00032606 -0.00016970 0.00019397
-0.01060619 -0.00944233 -0.00217772
-17.31529283 -3.27407022 3.58898586
0.00000938 0.00095866 -0.00023857
-0.03178237 -0.00865201 0.00923453
-14.69871727 -2.91946919 2.86746103
0.00098450 0.00044492 0.00020853
0.01735554 0.00995801 0.00497121
-16.53882284 -0.03775873 20.15923303
0.00024089 -0.00003830 -0.00116463
0.00281806 0.00865125 0.00457042
-15.60419090 -2.72564379 19.89166758
-0.00067799 -0.00029809 -0.00126658
-0.00900631 0.00155325 -0.00270213
-0.89145588 0.75907684 -4.86341491
0.00048785 -0.00008351 -0.00029968
0.00334830 -0.01159637 -0.00876229
-1.05279299 3.50280978 -4.83893086
0.00005599 0.00022663 0.00071482
0.01021055 0.00985921 -0.01036727
23.06070411 -8.76200629 -9.14118485
0.00156214 0.00006022 -0.00025723
0.00909104 -0.01701863 0.00080940
23.47982485 -6.01437476 -8.21810427
0.00117852 -0.00031746 -0.00015393
-0.00140151 0.00045283 -0.00117577
0.69599859 -5.83534364 5.90308923
-0.00024480 -0.00048050 -0.00066522
-0.00829406 -0.00744346 0.00870100
-0.36918146 -5.26509364 8.58217801
-0.00057118 0.00002787 -0.00000607
0.00342253 0.00042168 0.00440495
-1.01627746 -3.08357236 -18.72560675
0.00080296 -0.00021351 0.00087276
-0.01322119 0.01403098 -0.01292111
-3.48225714 -2.08580252 -20.08538735
0.00018782 0.00077789 -0.00069103
-0.01125362 -0.01307739 -0.01041788
2.97665533 3.05151542 -10.97458246
0.00042400 -0.00159378 0.00009016
-0.00269926 -0.00796607 0.02383445
1.97032703 2.23707736 -8.10201719
-0.00025229 -0.00001781 -0.00021374
0.00938787 0.01078695 -0.01077920
-2.39845519 16.86103367 12.45362977
0.00020596 -0.00019652 0.00085009
0.01707541 -0.01359893 0.00696315
-3.79763683 19.11687123 13.57650688
0.00029641 0.00095399 0.00035346
0.00504842 0.00912935 0.01885974
-3.96880522 6.20569316 -12.93209454
-0.00079580 0.00034238 0.00084760
0.00842633 -0.03004024 0.04965793
-3.19678769 3.32924327 -12.39316073
0.00099064 0.00024540 0.00065193
-0.01480668 0.03744057 0.02789231
-7.59357272 2.27339183 -7.59173367
-0.00056064 0.00036863 0.00023573
0.00533132 -0.00187866 -0.00374438
-6.84302453 4.10919518 -9.89082506
0.00157321 -0.00008316 0.00000318
-0.01786811 -0.01455564 0.02002688
1.84891410 28.20198565 6.88729230
0.00019370 -0.00041480 0.00008990
0.00589576 0.01836804 -0.01963467
0.08338314 27.51275454 9.03461048
-0.00011413 -0.00016876 0.00044224
-0.00492993 0.00362909 0.00267426
11.05029763 -6.55127334 -0.41391218
-0.00064469 -0.00038332 0.00000050
-0.00379963 0.00137851 -0.02204091
8.95142868 -7.56609378 -2.07971890
-0.00038492 0.00008206 -0.00076868
0.00460532 0.00860154 -0.00489914
-7.15986535 -0.00658528 6.53002872
0.00065000 0.00078766 -0.00073551
-0.01439422 0.00152186 -0.00347623
-10.19792182 -0.20226860 6.96580081
0.00112345 -0.00063778 -0.00052441
0.02259042 0.00709259 -0.01682721
21.26618230 10.43258523 10.41156189
0.00072633 0.00035031 -0.00065285
0.00683107 -0.00431805 0.01088376
20.51953815 12.57164674 8.58842449
0.00026977 -0.00048740 0.00051661
0.01039298 -0.02504029 -0.00256036
-1.78888956 -2.93630568 -25.99836033
0.00019502 -0.00007658 0.00026202
0.03101644 -0.02669913 0.01675247
-4.40690843 -2.27215038 -26.23574772
-0.00020895 -0.00026497 0.00006654
-0.04602090 0.00091918 0.01699092
-14.65312496 7.11340395 8.74083882
0.00084856 -0.00033742 0.00095048
-0.00367515 0.00256138 -0.00402300
-14.23608699 7.10529840 5.89013686
-0.00078439 -0.00014083 -0.00005315
-0.00657659 0.00731210 -0.00532645
-11.20489717 6.79402422 -4.03749487
0.00029929 -0.00058769 0.00051877
-0.01793108 -0.00542024 0.00007613
-8.90887000 8.08170485 -3.75045347
0.00038840 0.00007892 0.00008113
0.02001923 0.01694703 -0.00077595
-1.19971377 -17.55533919 23.52482855
-0.00026426 0.00031828 0.00001348
0.00923993 0.01810881 0.00506643
-3.55307558 -16.00309388 24.49856441
-0.00090649 0.00032866 0.00008307
0.05456850 0.01185954 -0.00447325
-3.29732703 5.66591350 -8.00676583
-0.00028586 -0.00045057 -0.00018268
0.01377230 0.00537072 0.00618270
-3.95020705 7.64739017 -5.99994737
-0.00009884 0.00077625 -0.00019833
0.01453658 -0.00842888 -0.00227824
-21.73422032 30.06224923 3.71970386
0.00067684 0.00071538 -0.00148646
-0.00676111 -0.01123361 -0.01939085
-21.77397338 32.24542770 5.51707803
0.00097260 0.00042790 -0.00105965
0.02127907 -0.01758154 -0.00093580
6.86854270 -0.22237579 6.41592784
0.00028101 -0.00037607 0.00031480
0.01337346 -0.00728418 0.01726215
6.88627815 1.60018304 8.63474419
0.00084954 0.00022801 0.00059642
0.00201045 0.00805245 0.00381177
6.70155752 12.36437795 -13.25770233
-0.00007581 0.00084053 0.00015866
-0.00055677 0.00232214 -0.00695657
4.58610180 12.19568193 -15.26903438
0.00019707 -0.00081797 0.00115796
0.01158051 -0.00834077 0.01724097
14.62150957 4.46956164 -2.39691568
-0.00027178 -0.00048641 -0.00098712
-0.01044092 -0.00265173 -0.00802614
15.49729854 1.57179140 -2.26688537
-0.00032460 0.00013422 0.00083194
-0.00106426 0.01238632 -0.00168151
-2.47028688 13.39307718 -0.43424914
-0.00017332 0.00016080 0.00023735
0.01265045 0.00155672 -0.00634113
-5.19971047 13.28122072 0.00197560
-0.00033458 -0.00038990 0.00081053
-0.01590127 -0.00593809 0.00157600
3.63615110 11.26589948 3.64867850
-0.00025907 -0.00180315 0.00040253
-0.00715609 -0.01191716 -0.00338850
6.41744964 12.42408597 3.51964945
0.00014179 -0.00003219 0.00046749
-0.02912984 -0.00144531 -0.00407387
24.87663217 -13.54659951 -8.80776740
0.00080376 -0.00013020 0.00023249
0.00106775 -0.00293108 0.00243832
25.48499931 -11.80462071 -11.08416030
0.00099271 0.00079692 0.00031941
0.02269855 -0.00278526 -0.04285797
14.70532336 -3.77988812 -0.84223046
-0.00031642 -0.00047039 -0.00016555
0.02070739 0.00054715 0.00480861
17.06654302 -5.57889111 -0.78297938
0.00070746 0.00004624 0.00014531
0.01233632 -0.03432052 -0.01399390
11.71971466 7.85413829 11.28875767
0.00039609 0.00039983 -0.00054402
0.01899894 0.01272026 -0.01806898
12.99457289 9.56147139 9.06138150
-0.00080531 -0.00035769 0.00023576
0.00113163 0.01317015 0.00601072
0.23897334 -14.20022600 16.94506380
-0.00073315 0.00011355 0.00010715
0.01021979 -0.01249190 0.00400659
1.52676789 -11.91847587 18.05157482
0.00004216 -0.00040912 0.00015132
0.01651586 -0.02536280 0.00116010
-4.39769516 -1.83691121 -13.48265556
0.00056337 -0.00050954 -0.00050653
0.00277753 -0.03416218 0.03527005
-3.15402214 -1.06630894 -16.04147224
0.00002395 0.00105338 0.00098231
-0.02568977 0.01221477 0.01665763
15.10494427 -8.66718535 -11.03213498
-0.00111561 0.00119294 0.00069009
-0.00613425 0.00936873 0.01147120
15.91741321 -6.84240170 -8.77363599
0.00042778 0.00184477 0.00012223
0.00895871 0.00722292 -0.00949010
7.36303334 -5.59230101 8.92808133
-0.00092973 0.00002541 0.00065103
0.00776009 -0.01045871 0.00696662
9.38512784 -5.37221976 7.07263961
-0.00065199 -0.00011770 0.00042109
0.01831336 0.00890079 -0.02338959
-20.80581899 2.28962313 20.76207449
0.00051325 0.00071599 -0.00048274
-0.00729942 -0.00214921 0.00365033
-22.06406144 0.57679704 22.89549282
0.00071957 0.00011777 0.00085940
0.00437042 0.01537162 -0.00084761
26.44390555 -2.72164537 -5.88812410
-0.00030069 -0.00060954 -0.00020377
0.00226245 0.00508281 0.00056048
25.47112179 -1.34266314 -8.29850731
-0.00076700 -0.00006964 -0.00001636
0.00640239 -0.01236026 0.00912242
9.21882071 -15.80862474 -7.65193552
-0.00011576 -0.00083325 0.00010074
-0.01233287 -0.00419491 0.00045508
8.57917443 -12.94316014 -6.91584164
-0.00013588 0.00046402 -0.00055894
0.00981884 -0.01041506 -0.00388670
-5.31641836 -10.79555189 17.79095014
-0.00045630 -0.00014533 -0.00003884
0.01402974 0.01684299 0.02441454
-6.51266417 -10.86131014 15.21277082
-0.00156787 0.00009856 0.00030998
-0.00037816 -0.00694605 0.00322850
9.82148023 2.69153071 -30.07708082
-0.00037002 -0.00102293 0.00143819
0.01997089 -0.01359165 -0.00530127
6.90911666 2.52454215 -30.57615106
-0.00028518 0.00128213 -0.00076412
0.01685585 0.01781216 0.02058870
12.41730837 14.68574430 14.32267448
0.00040724 -0.00049178 0.00089693
0.00191595 0.00919483 0.00860631
11.26651566 16.30529088 16.77032306
-0.00034440 -0.00035920 -0.00071757
0.01769144 0.00423143 0.03830306
28.71342811 5.08668028 -4.47366768
0.00080791 -0.00033332 -0.00018402
-0.00767307 0.00412083 -0.00376800
26.68518095 6.96622637 -3.07364305
0.00026348 -0.00060882 -0.00034392
0.01914549 -0.01492806 -0.01361321
-9.97948942 4.92027989 6.98452699
0.00000936 0.00006414 -0.00004483
0.00324936 -0.01433717 -0.01255202
-8.64352167 13.20507211 2.55389219
-0.00006119 0.00008516 0.00008202
0.00409723 -0.00001603 -0.00202463
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09501351
0.32336963
430.87381779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3887467883 (a.u.)
total exchange computation time: 2.6226279736 s
-154.2719921608
-931.42249868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3883164188 (a.u.)
total exchange computation time: 2.6206920147 s
-154.2764671992
Anderson extrapolation: theta=1.3725681393 (1.3725681393)
-931.42271671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3876157137 (a.u.)
total exchange computation time: 2.6204369068 s
-154.2832159624
Anderson extrapolation: theta=0.0633971885 (0.0633971885)
-931.42285165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3874850123 (a.u.)
total exchange computation time: 2.6202929020 s
-154.2841630885
Anderson extrapolation: theta=2.1494002770 (2.0000000000)
-931.42285824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3871981903 (a.u.)
total exchange computation time: 2.6211738586 s
-154.2861414931
Anderson extrapolation: theta=0.3290614917 (0.3290614917)
-931.42286607
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3871025909 (a.u.)
total exchange computation time: 2.6203870773 s
-154.2867146567
Anderson extrapolation: theta=1.3157175824 (1.3157175824)
-931.42286789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3870010926 (a.u.)
total exchange computation time: 2.6184911728 s
-154.2872301344
Anderson extrapolation: theta=0.4047528546 (0.4047528546)
-931.42286942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3869866535 (a.u.)
total exchange computation time: 2.6200821400 s
-154.2872040651
Anderson extrapolation: theta=0.9713100404 (0.9713100404)
-931.42286987
-72.577258 23.392018 54.569633
558.929541 1032.570770 -412.421530
486.352283 1055.962789 -357.851897
1216.410266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3869942475 (a.u.)
total exchange computation time: 2.6204302311 s
679.11507687
-1084.10047757
89.76900679
-388.93037940
-174.88910255
78.47035462
551.60419304
0.00000000
-931.42287010
3.89218432 -30.89118893 -2.27958566
0.00007230 0.00035101 -0.00005397
0.00101260 -0.00694182 0.01816539
-11.94577436 -2.23515966 -9.10062552
0.00033254 0.00019039 -0.00018658
0.00117515 0.01721144 0.00091514
-37.39065177 2.34438084 -0.12872940
-0.00002593 0.00021017 0.00010212
-0.00088271 0.00356114 -0.00345730
-11.39941649 -3.92501492 3.86845218
-0.00040614 0.00008867 0.00004422
-0.01142606 -0.01005846 -0.00420521
4.76279802 -3.82114761 9.60566195
-0.00028835 -0.00006955 -0.00031375
-0.02185091 -0.03335582 -0.00628966
-31.97352541 -1.16080617 -0.71226915
0.00020758 0.00048819 0.00019987
-0.01215851 0.04017850 0.00330536
15.17633089 12.54247657 -14.08356753
-0.00051324 0.00010434 0.00007591
-0.05808922 0.03267453 -0.04566356
-7.72822377 5.76315491 2.40696776
-0.00006999 0.00030428 0.00017448
0.00961533 -0.00155396 0.01176080
7.33829593 12.48628371 -5.50884384
0.00031523 0.00023244 -0.00013490
0.00436025 0.01226394 -0.03101085
8.99267347 9.74522183 -19.12879516
-0.00026316 0.00024241 0.00014717
-0.01717016 -0.00383670 0.01873762
23.15899915 17.50449809 -2.10613563
0.00044829 -0.00043557 -0.00009027
-0.00802905 -0.01695291 0.00722756
2.16005619 16.93511507 -19.03813626
0.00009669 -0.00000563 -0.00046121
0.02321702 0.00619110 -0.04423716
14.07750945 -1.53306902 -5.29728228
0.00001371 0.00027718 0.00004929
0.01751336 -0.00497635 -0.02171840
-16.13831947 -1.93601715 3.40109480
-0.00004919 0.00021691 -0.00032587
0.02212838 0.01588388 -0.00476233
-17.06490267 -1.68628941 19.49923934
0.00027402 -0.00019547 -0.00015384
0.00458770 -0.00826020 -0.00514851
0.20732163 2.19541695 -5.22759733
0.00020041 -0.00020294 0.00018119
-0.01494490 0.00438665 0.01326746
22.25961966 -7.15908022 -8.98556503
-0.00002829 0.00002432 -0.00004097
0.00483004 0.01327015 0.00729623
-0.43176330 -6.48310582 7.24328012
-0.00000339 0.00020288 0.00000036
-0.00204547 0.00081204 -0.00789057
-1.95575939 -1.55376714 -19.26445747
0.00014330 0.00017715 -0.00010613
0.02638817 -0.00989975 0.02185991
3.42517431 2.30700481 -9.30094613
-0.00026160 -0.00007970 -0.00002743
-0.00495107 -0.00335695 -0.00784504
-3.61651781 18.13612071 12.08313966
-0.00016561 -0.00032371 0.00002917
-0.02505928 0.01039362 -0.01844101
-3.60384398 4.98881204 -11.41508351
-0.00032326 0.00005288 0.00029801
0.00228960 -0.01280037 -0.08294474
-8.25999628 3.33635588 -8.91028333
0.00019950 -0.00032756 -0.00006281
0.01329589 0.01747882 -0.02112999
1.75301073 27.23444821 8.38426750
0.00052600 0.00027178 0.00006965
-0.00208800 -0.02335315 0.02937797
10.15201848 -6.17068315 -2.03730394
-0.00024127 -0.00006413 0.00003472
-0.00095287 -0.01028350 0.03169909
-8.86306173 0.47779830 5.82159621
0.00016571 0.00018415 0.00024650
-0.01344859 -0.00186580 0.01610896
20.54006076 10.67155810 8.77689510
-0.00022854 -0.00001605 0.00007153
-0.01468612 0.03141823 -0.01485099
-2.89983577 -2.17441660 -27.13746919
0.00046045 0.00005354 -0.00022895
0.01290126 0.02098129 -0.02916192
-14.27638770 6.01218702 7.34757171
-0.00008066 0.00019992 0.00032562
0.00392975 -0.00879914 0.00369193
-10.01570632 7.11414000 -2.70120658
0.00024857 0.00021008 0.00013075
0.00613834 -0.00566259 0.00130770
-1.60938377 -15.84246987 24.22876187
-0.00006770 0.00007646 -0.00055226
-0.07026880 -0.02461297 0.00091006
-2.56870179 6.43439757 -6.48407210
0.00009536 -0.00024429 0.00010451
-0.03175338 0.01177249 -0.00177409
-20.52951563 31.10803908 4.63878204
0.00055234 -0.00000858 -0.00006947
-0.01244570 0.02870382 0.01836021
7.57351101 -0.01353746 8.17221676
-0.00004826 0.00006906 -0.00028741
-0.00748794 0.00523394 -0.02489654
5.43118575 11.22085253 -13.92564629
0.00007679 0.00021870 -0.00024542
0.00182977 0.00423849 0.01046412
15.96338137 3.31001927 -1.94778150
-0.00038530 -0.00051669 -0.00010019
0.01142814 -0.00338381 0.00907332
-4.01901764 13.61923027 -1.35093863
-0.00022011 0.00008747 0.00032097
-0.00074312 -0.00971720 0.00693724
4.56268572 12.83473812 3.33518801
-0.00000775 -0.00008493 -0.00009264
0.04073004 -0.01113807 -0.00235525
24.81251152 -11.85591692 -9.45805967
-0.00002412 0.00011281 -0.00005415
-0.01978600 0.00822211 0.03578603
16.46128208 -3.98751115 -0.31590732
-0.00025255 0.00006892 -0.00017700
-0.01879514 0.04524804 0.01036067
12.88465876 7.90121495 9.78927554
0.00010394 -0.00007928 0.00021762
-0.01051713 -0.01482628 0.02089332
1.86929834 -13.74791425 17.72128289
-0.00032866 -0.00014964 -0.00005974
-0.02764697 0.03408316 -0.00244175
-4.43294077 -0.56382705 -14.68432649
-0.00000909 -0.00022148 0.00015582
0.02869691 0.02683919 -0.04289962
14.90633634 -8.29093997 -9.18159624
0.00010720 0.00018124 0.00015662
0.00784626 -0.00844823 -0.00009355
8.99194992 -6.43022256 8.46321185
-0.00021541 -0.00044200 0.00014619
-0.03130413 -0.00147207 0.02173103
-21.34261724 2.25718252 22.52737777
-0.00009675 -0.00010034 0.00020264
0.00290336 -0.01014465 -0.00620464
25.86262489 -3.03500470 -7.60806326
0.00002348 -0.00024428 -0.00041295
-0.01269807 0.00980932 -0.00954640
9.86465733 -14.09706921 -7.60100092
-0.00010103 -0.00008236 -0.00014002
0.00188804 0.01751173 -0.00313788
-6.10344847 -11.94980174 16.67782736
-0.00044789 -0.00053173 0.00015970
-0.01333365 -0.00879620 -0.02378741
8.26912680 3.42165115 -29.56669415
-0.00006883 0.00011863 0.00020124
-0.04064956 -0.01104898 -0.01387244
11.05264017 15.73209433 15.12050922
-0.00019822 -0.00012602 0.00012502
-0.02603240 -0.03028335 -0.04431652
28.39563287 6.13422377 -3.01151539
0.00023716 -0.00022021 -0.00002706
-0.01134660 0.01239942 0.00917475
5.28124309 -31.50949397 -3.35017134
-0.00022411 0.00037725 0.00009222
0.00028286 0.00417456 -0.00107196
4.32736288 -31.36563877 -0.54037784
-0.00066718 -0.00068478 -0.00041909
-0.00688049 0.00216418 -0.00828282
-11.88199697 -4.00165217 -8.63332793
0.00068011 -0.00002820 0.00078390
-0.00000379 -0.00946606 0.00578243
-12.44903342 -2.31526355 -10.82300711
-0.00038547 0.00042036 0.00048011
-0.00318645 0.00504249 -0.01390158
-38.62011526 2.05635778 1.18733506
-0.00124820 0.00020895 0.00007569
0.00120261 0.00038710 0.00089324
-37.81712977 3.99498341 -0.98480053
-0.00004983 0.00090711 -0.00030260
0.00242200 -0.01053117 0.00662067
-10.85230209 -5.59583020 3.36188251
0.00040596 -0.00095185 -0.00043189
0.00504021 -0.00834940 0.00403406
-9.89412861 -2.94056445 3.71504824
-0.00034736 -0.00036706 -0.00044051
0.00881313 0.01482008 0.00228905
5.59769394 -2.27570877 9.32357779
-0.00068615 -0.00048124 -0.00090214
0.01706908 0.03052271 -0.00756072
4.15764601 -3.70332043 11.30789751
0.00054149 0.00104364 -0.00012145
0.00207182 -0.00606062 0.01175922
-33.42709914 -2.22746622 -0.58485036
0.00063432 0.00012294 -0.00069801
-0.01019083 -0.00190467 0.00220520
-32.59025785 0.58323887 -0.36440334
0.00072600 -0.00023985 0.00048388
0.00353862 -0.02605062 0.00239013
14.92185928 13.19955905 -15.94398815
0.00039423 -0.00085132 0.00042487
-0.00335604 -0.01464519 0.04364635
16.82574647 12.02831780 -14.09796148
-0.00082483 0.00038918 0.00063346
0.05911535 -0.02462327 0.00208063
-8.24093184 7.13015771 1.32764004
-0.00070963 0.00042922 -0.00021938
-0.00151368 0.00120286 -0.00347529
-6.91398501 4.55547696 1.26233646
0.00029762 -0.00099301 -0.00051484
-0.00804301 0.00072813 -0.00046092
6.13725693 12.68255370 -6.90720929
0.00033135 -0.00034162 0.00062434
0.00205377 -0.00732629 0.00969900
8.65573196 13.74174893 -6.08031474
-0.00017117 -0.00059555 -0.00047008
-0.00054763 -0.00916917 0.00447188
8.98249597 9.15103916 -20.82302112
-0.00011670 -0.00017024 0.00048457
0.00447855 -0.00667144 -0.01456368
10.72826569 10.01085650 -18.66077521
0.00066907 0.00020367 -0.00077067
0.00715694 0.00987847 -0.00610169
24.42993370 16.16260812 -2.46375526
-0.00097358 -0.00054614 -0.00038357
-0.00965484 0.00650510 0.00074634
24.05543664 19.05699574 -2.14023212
0.00050900 -0.00063523 -0.00022430
0.01866187 0.01378850 -0.00514776
2.13549597 17.56821667 -20.85400040
-0.00024787 -0.00071895 0.00024655
-0.01388944 -0.01217955 0.02920954
3.42583566 15.49542538 -19.18056787
-0.00032874 -0.00128690 -0.00034124
-0.02284400 0.00678828 0.01151081
13.31256077 -2.26965084 -6.81380149
-0.00091171 0.00110693 -0.00039190
-0.00661091 0.01567642 0.01065874
12.86049980 -0.87317765 -4.12992498
0.00028013 -0.00020596 0.00018874
-0.01187756 -0.00830891 -0.00038265
-17.31612609 -3.25995551 3.58569026
-0.00012476 0.00091517 -0.00020102
-0.03387977 -0.01263302 0.00914952
-14.68341790 -2.91249027 2.87074132
0.00104692 0.00048860 0.00023145
0.01319943 0.01142555 0.00624661
-16.53512311 -0.03806810 20.14190357
0.00025395 -0.00000171 -0.00114410
0.00357327 0.00926040 0.00547933
-15.61463680 -2.73006749 19.87258602
-0.00070295 -0.00029866 -0.00127353
-0.00320951 -0.00183212 -0.00069940
-0.88403548 0.75746891 -4.86817861
0.00049818 -0.00013421 -0.00033400
0.00170872 -0.01322484 -0.00803969
-1.05164029 3.50651130 -4.82852626
0.00010195 0.00026120 0.00067078
0.01228999 0.00706522 -0.01119226
23.08441485 -8.76162452 -9.14501846
0.00159165 -0.00000041 -0.00025394
0.00535184 -0.01265803 0.00079915
23.49745972 -6.01912278 -8.22044923
0.00116600 -0.00031764 -0.00016188
-0.00472791 -0.00054216 -0.00271861
0.69207242 -5.84277919 5.89337751
-0.00027884 -0.00050950 -0.00062768
-0.00836958 -0.00675313 0.00967566
-0.37764422 -5.26466272 8.58222187
-0.00055602 0.00003163 0.00001221
0.00399874 0.00141894 0.00454513
-1.00463821 -3.08634510 -18.71291122
0.00074160 -0.00014764 0.00081545
-0.01681672 0.01821197 -0.01513371
-3.47978467 -2.07453496 -20.09607204
0.00014387 0.00072315 -0.00073205
-0.01026298 -0.01371824 -0.00966092
2.98293264 3.02736466 -10.97249968
0.00040949 -0.00162114 0.00017804
-0.00440529 -0.00543026 0.01918519
1.96683034 2.23714077 -8.10555358
-0.00021545 0.00002633 -0.00025652
0.00864816 0.01081912 -0.01016223
-2.39484260 16.85766913 12.46659450
0.00027222 -0.00024813 0.00087706
0.01535896 -0.01166357 0.00623643
-3.79303604 19.13146084 13.58238668
0.00031862 0.00098256 0.00041716
0.00582417 0.00485427 0.01232115
-3.98048402 6.20990828 -12.91785885
-0.00076103 0.00021994 0.00104787
0.00859315 -0.02989308 0.04837497
-3.18238185 3.33407164 -12.38252708
0.00092870 0.00039791 0.00076428
-0.01551427 0.03721289 0.02710565
-7.60181898 2.27886376 -7.58831251
-0.00053568 0.00035637 0.00022609
0.00688527 -0.00412658 -0.00097157
-6.81997384 4.10750170 -9.89016367
0.00149032 -0.00014764 0.00009088
-0.02270973 -0.01700588 0.02290332
1.85200028 28.19632649 6.88803917
0.00021709 -0.00033659 0.00000442
0.00555567 0.01991478 -0.02221141
0.08152019 27.51033440 9.04132596
-0.00012377 -0.00015490 0.00044848
0.00020875 0.00315574 0.00038226
11.04051089 -6.55698096 -0.41458004
-0.00065952 -0.00037807 -0.00008779
-0.00345990 0.00119441 -0.02117972
8.94579605 -7.56459933 -2.09139917
-0.00036607 0.00011716 -0.00078805
0.00462221 0.00858038 -0.00458369
-7.15055648 0.00527624 6.51888954
0.00059077 0.00079252 -0.00074818
-0.01459664 0.00085914 -0.00272465
-10.18037789 -0.21161800 6.95741909
0.00120792 -0.00061256 -0.00058565
0.01875854 0.00525581 -0.01315297
21.27728657 10.43770752 10.40210264
0.00075648 0.00033044 -0.00060355
0.00792600 -0.00540603 0.01324708
20.52390324 12.56356844 8.59609522
0.00031066 -0.00058334 0.00050392
0.00962124 -0.02192161 -0.00365051
-1.78501377 -2.93827254 -25.99391673
0.00031860 -0.00018338 0.00032720
0.02947707 -0.02558185 0.01515655
-4.41145292 -2.27609670 -26.23422898
-0.00038305 -0.00026024 0.00012755
-0.03920375 0.00139519 0.01287255
-14.64050922 7.10842111 8.75497272
0.00083341 -0.00032571 0.00093297
-0.00373976 0.00317094 -0.00454721
-14.24805437 7.10341002 5.88917646
-0.00081132 -0.00011092 -0.00007210
-0.00660638 0.00732775 -0.00394983
-11.20095734 6.78504272 -4.02971093
0.00022522 -0.00060931 0.00051716
-0.01832379 -0.00516009 -0.00086801
-8.90243061 8.08340791 -3.74926038
0.00046837 0.00014729 0.00007809
0.01912891 0.01652247 -0.00070882
-1.20339448 -17.55001013 23.52518592
-0.00022574 0.00038677 0.00003191
0.00961521 0.01542147 0.00395776
-3.56500081 -15.99780059 24.49967331
-0.00067665 0.00037705 0.00006313
0.05794009 0.01182787 -0.00528658
-3.30119285 5.65931947 -8.00931656
-0.00022711 -0.00042579 -0.00015226
0.01498216 0.00676141 0.00871021
-3.95124427 7.65877563 -6.00299214
-0.00003455 0.00073656 -0.00020961
0.01693570 -0.01099763 -0.00324286
-21.72427492 30.07263575 3.69681282
0.00065101 0.00067102 -0.00156320
-0.00588013 -0.01048322 -0.01817419
-21.75873235 32.25130744 5.50115454
0.00105483 0.00035897 -0.00106017
0.01897443 -0.01616008 0.00068423
6.87316759 -0.22824004 6.42117880
0.00033202 -0.00040404 0.00037853
0.01159836 -0.00640667 0.01393507
6.89908291 1.60384986 8.64380728
0.00085749 0.00025947 0.00060936
0.00188047 0.00734851 0.00252312
6.70040325 12.37705704 -13.25553564
-0.00008208 0.00084590 0.00012737
-0.00251053 0.00030810 -0.00835633
4.58941265 12.18315675 -15.25113659
0.00023382 -0.00083983 0.00121130
0.00641218 -0.00235878 0.00886676
14.61711293 4.46218427 -2.41196835
-0.00031219 -0.00049829 -0.00101839
-0.00934176 -0.00316358 -0.00728386
15.49239693 1.57418423 -2.25445778
-0.00033193 0.00017234 0.00082262
-0.00252326 0.00627507 -0.00287937
-2.47249901 13.39553685 -0.43088324
-0.00012165 0.00016716 0.00021145
0.01264109 0.00155867 -0.00633380
-5.20521637 13.27519026 0.01418190
-0.00039457 -0.00041231 0.00081111
-0.01346600 -0.00503090 -0.00129189
3.63204577 11.23848705 3.65461262
-0.00027869 -0.00183392 0.00038551
-0.00245046 -0.00314542 -0.00494363
6.41868384 12.42355885 3.52653699
0.00002236 -0.00003729 0.00045000
-0.02933242 -0.00104933 -0.00449009
24.88872136 -13.54864230 -8.80420538
0.00080781 -0.00013640 0.00023984
0.00091462 -0.00010593 0.00116184
25.50058558 -11.79275233 -11.08068248
0.00108477 0.00078487 0.00014718
0.02236196 -0.00310985 -0.04145035
14.70121159 -3.78692719 -0.84456637
-0.00023183 -0.00046880 -0.00014626
0.02069882 0.00023265 0.00463627
17.07753290 -5.57924914 -0.78122855
0.00075524 -0.00008888 0.00008970
0.01105191 -0.03182540 -0.01322856
11.72623825 7.86052552 11.28004365
0.00046772 0.00044954 -0.00060941
0.01606507 0.01161350 -0.01393746
12.98252796 9.55650959 9.06510203
-0.00079956 -0.00029983 0.00025727
0.00168213 0.01515213 0.00452168
0.22828932 -14.19890549 16.94679383
-0.00068894 0.00006294 0.00012415
0.01141996 -0.01228469 0.00431616
1.52790644 -11.92538985 18.05388021
0.00010875 -0.00050874 0.00015650
0.01607609 -0.02340105 0.00137246
-4.38915947 -1.84560121 -13.48917278
0.00057410 -0.00065119 -0.00036042
0.00247428 -0.03517600 0.03625185
-3.15445006 -1.05013391 -16.02622719
-0.00007512 0.00110020 0.00104316
-0.02280799 0.01070146 0.01312882
15.08802217 -8.64900410 -11.02143215
-0.00113878 0.00122861 0.00072780
-0.00521047 0.00808766 0.00699144
15.92410443 -6.81450887 -8.77209341
0.00045192 0.00185587 0.00007796
0.00285577 -0.00178528 -0.01217968
7.34932518 -5.59224028 8.93806025
-0.00088903 -0.00002159 0.00067652
0.01216172 -0.01255262 0.00551101
9.37590921 -5.37371257 7.07823924
-0.00057696 -0.00008060 0.00032431
0.01841281 0.00926417 -0.02398385
-20.79834388 2.30029705 20.75494522
0.00047909 0.00070458 -0.00045583
-0.00942466 -0.00343491 0.00952278
-22.05313390 0.57903468 22.90835782
0.00073532 0.00017510 0.00085496
0.00333938 0.01268999 -0.00132755
26.43946449 -2.73063278 -5.89116349
-0.00029153 -0.00058832 -0.00020185
0.00222468 0.00530763 0.00037888
25.45981296 -1.34408650 -8.29847318
-0.00074007 -0.00012189 0.00002195
0.00677804 -0.01321571 0.00963290
9.21670634 -15.82125196 -7.65041051
-0.00016305 -0.00084082 0.00010290
-0.01081345 0.00048529 0.00060400
8.57743707 -12.93651902 -6.92434487
-0.00009409 0.00041865 -0.00057520
0.01063711 -0.01179197 -0.00406963
-5.32283292 -10.79721569 17.79111569
-0.00040014 -0.00007866 0.00005919
0.01346090 0.01579236 0.02357303
-6.53619384 -10.86004457 15.21751951
-0.00156710 0.00006614 0.00032727
0.00075698 -0.00892435 0.00523537
9.81654184 2.67577030 -30.05567047
-0.00028742 -0.00107964 0.00141591
0.02046241 -0.01417134 -0.00560384
6.90535554 2.54431993 -30.58698202
-0.00021569 0.00135387 -0.00067882
0.01715536 0.01730678 0.02116608
12.42347570 14.67864941 14.33639215
0.00041207 -0.00045176 0.00093171
0.00044564 0.01039345 0.00841942
11.26189181 16.30003258 16.76073319
-0.00027081 -0.00033620 -0.00054546
0.01833056 0.00702779 0.04594877
28.72531160 5.08180673 -4.47654340
0.00077584 -0.00031433 -0.00019606
-0.00802602 0.00517509 -0.00212499
26.68971978 6.95663662 -3.07921902
0.00033939 -0.00066833 -0.00039927
0.01801682 -0.01420309 -0.01348152
-9.97934029 4.92120356 6.98382082
0.00001051 0.00005900 -0.00004933
0.00315707 -0.01440414 -0.01258574
-8.64443235 13.20634947 2.55511891
-0.00006025 0.00008515 0.00008152
0.00401486 -0.00010358 -0.00228032
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09504179
0.32782831
436.81478942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3853514920 (a.u.)
total exchange computation time: 2.6724359989 s
-154.2550920918
-931.42635893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3850159040 (a.u.)
total exchange computation time: 2.6701538563 s
-154.2590759033
Anderson extrapolation: theta=1.3676361967 (1.3676361967)
-931.42657320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3844766378 (a.u.)
total exchange computation time: 2.6694109440 s
-154.2650383528
Anderson extrapolation: theta=0.0623660498 (0.0623660498)
-931.42670528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3843796935 (a.u.)
total exchange computation time: 2.6711711884 s
-154.2658587515
Anderson extrapolation: theta=2.1292339467 (2.0000000000)
-931.42671170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3841688695 (a.u.)
total exchange computation time: 2.6685190201 s
-154.2675618162
Anderson extrapolation: theta=0.3149684904 (0.3149684904)
-931.42671941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3841038852 (a.u.)
total exchange computation time: 2.6685881615 s
-154.2680210447
Anderson extrapolation: theta=1.3538674082 (1.3538674082)
-931.42672123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3840364006 (a.u.)
total exchange computation time: 2.6729319096 s
-154.2684274513
Anderson extrapolation: theta=0.3857693812 (0.3857693812)
-931.42672289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3840312245 (a.u.)
total exchange computation time: 2.6688990593 s
-154.2683803791
Anderson extrapolation: theta=0.9953105989 (0.9953105989)
-931.42672342
-72.562478 23.336026 54.615726
558.954266 1032.545662 -412.413574
486.391788 1055.881688 -357.797848
1216.339759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3840411284 (a.u.)
total exchange computation time: 2.6706888676 s
679.07793194
-1083.99799073
89.76251466
-389.00268226
-174.88245623
78.41030031
551.60419304
0.00000000
-931.42672375
3.89327279 -30.88595048 -2.28032510
0.00007245 0.00034751 -0.00004492
-0.00044712 -0.00667837 0.01700866
-11.94078175 -2.23223740 -9.10342069
0.00033349 0.00019857 -0.00018478
0.00253729 0.01458920 0.00607994
-37.39104418 2.34754711 -0.12721087
-0.00002767 0.00021263 0.00010101
-0.00585659 0.00600180 -0.00087848
-11.40555262 -3.92372372 3.86909933
-0.00041143 0.00008119 0.00004143
-0.00914241 -0.01902934 -0.00666765
4.75838855 -3.82231952 9.60093148
-0.00029990 -0.00008729 -0.00031671
-0.02308450 -0.03564155 -0.00524394
-31.97045864 -1.15332838 -0.70925828
0.00020219 0.00050769 0.00020126
-0.00881004 0.03567324 0.00209151
15.16840820 12.54416766 -14.08260509
-0.00054351 0.00012100 0.00005292
-0.05959560 0.03213605 -0.04373400
-7.72923661 5.76771306 2.40963036
-0.00006429 0.00030264 0.00017867
0.01256248 -0.00480959 0.00453406
7.34304123 12.48981769 -5.51098694
0.00031741 0.00023786 -0.00014969
0.00409388 0.00879215 -0.02652106
8.98865982 9.74884322 -19.12651530
-0.00027052 0.00024068 0.00015732
-0.01145861 -0.00289121 0.02071711
23.16569258 17.49789919 -2.10746173
0.00044293 -0.00044349 -0.00008639
-0.01282959 -0.01384078 0.00782448
2.16159608 16.93505456 -19.04522500
0.00010887 -0.00000349 -0.00048267
0.02414674 0.00210858 -0.03923548
14.07778271 -1.52893053 -5.29662672
0.00002257 0.00027416 0.00003717
0.01691301 -0.00676531 -0.02542078
-16.13897202 -1.93270219 3.39618837
-0.00003640 0.00022543 -0.00032855
0.02761917 0.01723533 -0.00566777
-17.06077466 -1.68925326 19.49691188
0.00027463 -0.00019885 -0.00015715
-0.00221832 -0.00489268 -0.00772082
0.21027013 2.19238979 -5.22482831
0.00019268 -0.00019959 0.00018802
-0.01511484 0.00865030 0.01329695
22.25921389 -7.15866426 -8.98615139
-0.00002401 0.00003015 -0.00003685
0.01182254 0.00942566 0.00872935
-0.43182197 -6.48005951 7.24325507
-0.00000456 0.00020287 -0.00000394
-0.00252609 -0.00083863 -0.00883358
-1.95350806 -1.55114810 -19.26596514
0.00015730 0.00017131 -0.00009469
0.02803452 -0.01280123 0.02265469
3.42123127 2.30579637 -9.30138785
-0.00026340 -0.00008207 -0.00003027
-0.00206539 -0.00585325 -0.00319993
-3.61909868 18.13130521 12.08350612
-0.00017814 -0.00031789 0.00002165
-0.02364579 0.01224126 -0.01081619
-3.60868408 4.98955580 -11.41093336
-0.00032197 0.00004634 0.00025625
0.00274172 -0.01262945 -0.07943968
-8.25695254 3.33150992 -8.91130703
0.00020702 -0.00031755 -0.00007495
0.01597505 0.02142857 -0.02606734
1.76089270 27.23843487 8.38542562
0.00052375 0.00025968 0.00008575
-0.00667121 -0.02369948 0.03323239
10.14839568 -6.17168477 -2.03666094
-0.00024189 -0.00006927 0.00005058
-0.00145252 -0.00968804 0.02998608
-8.86062800 0.48055333 5.82535586
0.00015987 0.00018395 0.00025357
-0.00925265 0.00108793 0.01137029
20.53657603 10.67143858 8.77791076
-0.00023613 -0.00000066 0.00006376
-0.01482468 0.02841114 -0.01538146
-2.89287927 -2.17353258 -27.14101591
0.00046567 0.00006374 -0.00024211
0.00740919 0.01869070 -0.02200866
-14.27758250 6.01515181 7.35247019
-0.00007857 0.00019529 0.00032727
0.00419421 -0.00917062 0.00274552
-10.01195406 7.11726938 -2.69924026
0.00025206 0.00020729 0.00013145
0.00743418 -0.00521285 0.00142846
-1.61067040 -15.84141787 24.22048141
-0.00010443 0.00006475 -0.00055128
-0.07253052 -0.02093212 0.00291144
-2.56739393 6.43077870 -6.48251130
0.00007824 -0.00023791 0.00010332
-0.03479497 0.01300134 -0.00286184
-20.52127859 31.10802107 4.63781085
0.00054623 0.00000537 -0.00006098
-0.01129175 0.02553635 0.01466148
7.57275820 -0.01248138 8.16780953
-0.00005161 0.00007181 -0.00029888
-0.00552766 0.00546032 -0.01968979
5.43234472 11.22414942 -13.92928722
0.00007972 0.00021971 -0.00023732
0.00955376 -0.00034126 0.02102817
15.95764589 3.30225594 -1.94924933
-0.00037935 -0.00051653 -0.00009528
0.01171779 0.00398453 0.01000308
-4.02232214 13.62050480 -1.34609732
-0.00022108 0.00008226 0.00032528
-0.00303517 -0.01052754 0.00981610
4.56272652 12.83342118 3.33378935
0.00001197 -0.00009282 -0.00009346
0.03597790 -0.01954126 -0.00083731
24.81207334 -11.85419303 -9.45873386
-0.00003400 0.00011641 -0.00003635
-0.01861524 0.00578116 0.03343675
16.45742128 -3.98630280 -0.31852235
-0.00026157 0.00009122 -0.00017192
-0.01625376 0.04148116 0.00938357
12.88617734 7.89996863 9.79262047
0.00009930 -0.00008703 0.00022747
-0.00753332 -0.01534647 0.01740363
1.86426178 -13.75002742 17.72037735
-0.00034289 -0.00013290 -0.00006116
-0.02766902 0.03102795 -0.00307879
-4.43296637 -0.56704571 -14.68215472
0.00000487 -0.00020743 0.00013496
0.02558515 0.02780010 -0.03821562
14.90797459 -8.28825399 -9.17924730
0.00011246 0.00017934 0.00015855
0.01261326 0.00105899 0.00758727
8.98859796 -6.43685821 8.46548855
-0.00023248 -0.00044219 0.00015764
-0.03506762 0.00071354 0.02277239
-21.34405725 2.25563833 22.53039346
-0.00009445 -0.00010445 0.00019816
0.00602628 -0.00584086 -0.01123944
25.86292817 -3.03863110 -7.61429428
0.00001694 -0.00023914 -0.00041782
-0.01274151 0.01018058 -0.00940228
9.86314920 -14.09823705 -7.60311329
-0.00010057 -0.00007425 -0.00014167
-0.00011335 0.01401218 -0.00330026
-6.11021819 -11.95781159 16.68013103
-0.00045463 -0.00053530 0.00014738
-0.01290839 -0.00510533 -0.02410271
8.26793759 3.42338797 -29.56372900
-0.00008960 0.00011314 0.00019407
-0.04011158 -0.01030651 -0.01403113
11.04956647 15.73008718 15.12221359
-0.00021128 -0.00014226 0.00010069
-0.02476729 -0.03285799 -0.05028107
28.39914648 6.13096845 -3.01188586
0.00023178 -0.00021427 -0.00002283
-0.00957638 0.01068189 0.00726614
5.27789009 -31.50370730 -3.34882096
-0.00022067 0.00039301 0.00008649
0.00140362 0.00353872 -0.00173223
4.31714436 -31.37584418 -0.54691793
-0.00069386 -0.00067633 -0.00044909
-0.00617880 0.00197290 -0.00640353
-11.87179536 -4.00236518 -8.62139231
0.00067938 -0.00006063 0.00080384
-0.00035626 -0.00641218 0.00397963
-12.45491316 -2.30880365 -10.81623152
-0.00040046 0.00043933 0.00041668
-0.00414928 0.00424185 -0.01714630
-38.63880136 2.05950382 1.18849782
-0.00123472 0.00021205 0.00007032
0.00539377 0.00113430 -0.00352088
-37.81780294 4.00826729 -0.98913670
-0.00003831 0.00085713 -0.00027218
0.00321392 -0.01393250 0.00827145
-10.84605821 -5.61036379 3.35552781
0.00042020 -0.00096930 -0.00041003
0.00193111 -0.00019037 0.00666606
-9.89906902 -2.94561623 3.70851075
-0.00030957 -0.00030490 -0.00043151
0.00968649 0.01560927 0.00211757
5.58792477 -2.28199211 9.30981403
-0.00061294 -0.00035086 -0.00093550
0.01876871 0.03330021 -0.00877036
4.16583179 -3.68785158 11.30643616
0.00054942 0.00101778 -0.00007285
0.00181097 -0.00659747 0.01202745
-33.41789660 -2.22568056 -0.59525287
0.00059003 0.00011433 -0.00068865
-0.01148872 -0.00230931 0.00237600
-32.57925935 0.57884285 -0.35707197
0.00073587 -0.00033659 0.00049564
0.00129034 -0.02130642 0.00336844
14.92766984 13.18634048 -15.93627759
0.00037832 -0.00090790 0.00059782
-0.00443035 -0.01305019 0.04101022
16.81518553 12.03340091 -14.08839575
-0.00057807 0.00028706 0.00064370
0.06167581 -0.02536144 0.00292728
-8.25162266 7.13663288 1.32424282
-0.00071279 0.00042697 -0.00022964
-0.00003305 -0.00230340 -0.00154443
-6.90976719 4.54060405 1.25459980
0.00025618 -0.00097651 -0.00050669
-0.01224228 0.00735014 0.00444778
6.14229010 12.67720496 -6.89754693
0.00033344 -0.00037045 0.00065680
-0.00103080 -0.00679037 0.00618906
8.65314769 13.73253474 -6.08722890
-0.00016755 -0.00062710 -0.00045369
0.00231592 -0.00627468 0.00355344
8.98088274 9.14828109 -20.81619886
-0.00009999 -0.00019852 0.00042213
0.00369822 -0.00716894 -0.01599861
10.73852099 10.01421419 -18.67252227
0.00068823 0.00024308 -0.00079659
0.00222488 0.00941572 -0.00658311
24.41503414 16.15461531 -2.46948597
-0.00100539 -0.00052538 -0.00038208
-0.00591735 0.00366007 -0.00001477
24.06364347 19.04788988 -2.14375432
0.00058645 -0.00057817 -0.00024516
0.01925299 0.01413945 -0.00506626
2.13135235 17.55705918 -20.84940713
-0.00030400 -0.00076497 0.00035651
-0.01358696 -0.01034629 0.02461917
3.42020459 15.47632993 -19.18533376
-0.00042403 -0.00125458 -0.00029376
-0.02379998 0.00902969 0.01173355
13.29868257 -2.25256649 -6.81935331
-0.00093536 0.00117252 -0.00034441
-0.00496566 0.01642695 0.01258582
12.86433776 -0.87652166 -4.12710558
0.00022947 -0.00023774 0.00019065
-0.01291835 -0.00724862 0.00131843
-17.31903571 -3.24661504 3.58295540
-0.00026567 0.00085718 -0.00016412
-0.03509715 -0.01575542 0.00890946
-14.66730959 -2.90481112 2.87440443
0.00109217 0.00053796 0.00025946
0.00895089 0.01273601 0.00746683
-16.53120439 -0.03780992 20.12490991
0.00026992 0.00003669 -0.00112014
0.00424286 0.00953496 0.00625033
-15.62527939 -2.73460347 19.85346159
-0.00070364 -0.00031361 -0.00127234
0.00286943 -0.00548668 0.00128102
-0.87651037 0.75505048 -4.87343503
0.00050187 -0.00019118 -0.00036540
0.00009502 -0.01465909 -0.00732828
-1.04973439 3.51064582 -4.81880759
0.00015591 0.00028452 0.00062352
0.01412331 0.00435059 -0.01194115
23.10845358 -8.76201852 -9.14880310
0.00160535 -0.00004270 -0.00025054
0.00135603 -0.00804592 0.00086591
23.51480483 -6.02390403 -8.22296081
0.00114016 -0.00032156 -0.00017586
-0.00791891 -0.00137544 -0.00412295
0.68763331 -5.85062862 5.88425879
-0.00031281 -0.00053539 -0.00058663
-0.00825859 -0.00592161 0.01042065
-0.38586192 -5.26414483 8.58254428
-0.00053853 0.00003922 0.00003080
0.00455835 0.00229869 0.00455605
-0.99402960 -3.08800170 -18.70114318
0.00066664 -0.00006633 0.00074970
-0.01987288 0.02159311 -0.01705142
-3.47794118 -2.06410814 -20.10734881
0.00010510 0.00066631 -0.00076934
-0.00871212 -0.01410142 -0.00859166
2.98893997 3.00288110 -10.96924112
0.00038782 -0.00163784 0.00024548
-0.00619898 -0.00274472 0.01382432
1.96386366 2.23786724 -8.10971277
-0.00018207 0.00007047 -0.00029635
0.00768842 0.01078851 -0.00933721
-2.39028873 16.85358977 12.47994144
0.00033049 -0.00029089 0.00090062
0.01316744 -0.00926867 0.00529994
-3.78807831 19.14634794 13.58902161
0.00034384 0.00099339 0.00045418
0.00652302 0.00044781 0.00580260
-3.99163617 6.21229136 -12.90065844
-0.00072607 0.00009959 0.00124101
0.00852112 -0.02901922 0.04616959
-3.16892683 3.34118064 -12.37023222
0.00086438 0.00054781 0.00087241
-0.01596861 0.03616351 0.02582486
-7.60964327 2.28408279 -7.58495090
-0.00050467 0.00033519 0.00022760
0.00829546 -0.00624121 0.00171005
-6.79831495 4.10476600 -9.88809862
0.00138931 -0.00022105 0.00018892
-0.02673324 -0.01892905 0.02508583
1.85542694 28.19188783 6.88742479
0.00023890 -0.00025345 -0.00008949
0.00511699 0.02078623 -0.02375398
0.07967002 27.50810767 9.04806486
-0.00011278 -0.00014284 0.00044545
0.00516913 0.00274520 -0.00186694
11.03051210 -6.56261538 -0.41654593
-0.00067241 -0.00037380 -0.00017151
-0.00285304 0.00089523 -0.01980028
8.94044670 -7.56257902 -2.10336036
-0.00034750 0.00015177 -0.00080615
0.00446566 0.00836011 -0.00427710
-7.14214219 0.01719041 6.50758337
0.00053116 0.00079463 -0.00075774
-0.01458588 0.00017379 -0.00195357
-10.16168433 -0.22064529 6.94823127
0.00127559 -0.00059569 -0.00063091
0.01436592 0.00299842 -0.00900115
21.28887660 10.44249850 10.39345526
0.00079053 0.00030633 -0.00054596
0.00874177 -0.00639738 0.01494579
20.52885797 12.55414664 8.60354223
0.00034840 -0.00066500 0.00048670
0.00885340 -0.01805446 -0.00478110
-1.77933143 -2.94180721 -25.98854425
0.00043376 -0.00028431 0.00038394
0.02689008 -0.02381981 0.01261872
-4.41840005 -2.27995751 -26.23192132
-0.00052685 -0.00025345 0.00017061
-0.03118314 0.00192681 0.00820676
-14.62812267 7.10363260 8.76882795
0.00081803 -0.00031163 0.00091327
-0.00379039 0.00372339 -0.00509775
-14.26042664 7.10197073 5.88797398
-0.00083826 -0.00008133 -0.00008499
-0.00658259 0.00715564 -0.00236288
-11.19814050 6.77574498 -4.02198020
0.00015047 -0.00062952 0.00051235
-0.01826961 -0.00473628 -0.00148348
-8.89481887 8.08612356 -3.74811072
0.00054365 0.00021309 0.00007597
0.01771988 0.01568598 -0.00033143
-1.20648591 -17.54373595 23.52578586
-0.00018558 0.00044346 0.00004553
0.01004076 0.01232468 0.00271084
-3.57337511 -15.99178241 24.50045822
-0.00043567 0.00042502 0.00004017
0.06001933 0.01165312 -0.00595291
-3.30414047 5.65313981 -8.01133348
-0.00016389 -0.00039576 -0.00011237
0.01596908 0.00793715 0.01081516
-3.95124356 7.66948709 -6.00623566
0.00003856 0.00068710 -0.00022446
0.01885196 -0.01321515 -0.00402808
-21.71468990 30.08237978 3.67280796
0.00062956 0.00063048 -0.00163414
-0.00462196 -0.00935972 -0.01655429
-21.74232845 32.25619680 5.48527298
0.00112666 0.00029681 -0.00105354
0.01618428 -0.01426716 0.00256121
6.87850330 -0.23449693 6.42728380
0.00037528 -0.00042849 0.00042755
0.00957927 -0.00556104 0.01005814
6.91200291 1.60796706 8.65302500
0.00086508 0.00028743 0.00061678
0.00183587 0.00634183 0.00110879
6.69909513 12.38975501 -13.25388108
-0.00009590 0.00084330 0.00009061
-0.00425281 -0.00158417 -0.00964258
4.59311648 12.17048702 -15.23269540
0.00024787 -0.00083589 0.00122844
0.00046579 0.00428535 -0.00047605
14.61214378 4.45461302 -2.42746743
-0.00034768 -0.00051253 -0.00104640
-0.00802764 -0.00380746 -0.00642655
15.48734067 1.57696163 -2.24220665
-0.00034540 0.00018467 0.00080847
-0.00407319 -0.00023821 -0.00404918
-2.47393642 13.39809205 -0.42790552
-0.00007056 0.00017357 0.00018547
0.01236898 0.00157742 -0.00638557
-5.21154755 13.26885148 0.02630903
-0.00044438 -0.00043097 0.00079995
-0.01091872 -0.00410246 -0.00417086
3.62779026 11.21088184 3.66024375
-0.00028035 -0.00183036 0.00036243
0.00163842 0.00489031 -0.00635489
6.41812037 12.42296741 3.53314934
-0.00009732 -0.00004047 0.00043097
-0.02925087 -0.00051072 -0.00482110
24.90086659 -13.55069157 -8.80057216
0.00081120 -0.00013124 0.00024210
0.00074157 0.00263223 -0.00005701
25.51754234 -11.78107454 -11.07974499
0.00117385 0.00077140 -0.00001557
0.02124560 -0.00348495 -0.03821372
14.69836837 -3.79395199 -0.84661813
-0.00014863 -0.00046835 -0.00012801
0.02002860 -0.00001487 0.00429347
17.08920011 -5.58155763 -0.78028844
0.00079662 -0.00021102 0.00003799
0.00920549 -0.02796249 -0.01208135
11.73374640 7.86762449 11.27047546
0.00052629 0.00049460 -0.00065653
0.01260279 0.01044586 -0.00913162
12.97058611 9.55247642 9.06909969
-0.00079156 -0.00023485 0.00027298
0.00223130 0.01665725 0.00316802
0.21830519 -14.19833787 16.94878838
-0.00064031 0.00001322 0.00014222
0.01238384 -0.01205203 0.00452714
1.53003024 -11.93373798 18.05626971
0.00017314 -0.00059879 0.00016277
0.01544435 -0.02067935 0.00169919
-4.38047214 -1.85644701 -13.49346826
0.00058356 -0.00079349 -0.00021363
0.00215478 -0.03448042 0.03560351
-3.15627579 -1.03330302 -16.01017752
-0.00016097 0.00114044 0.00108838
-0.01921351 0.00899898 0.00900709
15.07078074 -8.63032719 -11.01030084
-0.00115835 0.00125897 0.00074646
-0.00436655 0.00677631 0.00213803
15.93097067 -6.78672545 -8.77129728
0.00045239 0.00183164 0.00002336
-0.00262197 -0.01007684 -0.01454793
7.33636238 -5.59294884 8.94837692
-0.00083149 -0.00007647 0.00069625
0.01600640 -0.01430702 0.00414524
9.36781903 -5.37463762 7.08236898
-0.00050236 -0.00004398 0.00022807
0.01810500 0.00865973 -0.02312681
-20.79144636 2.31076047 20.74839957
0.00043658 0.00068787 -0.00040609
-0.01138441 -0.00474551 0.01482706
-22.04200171 0.58205004 22.92114147
0.00074659 0.00022070 0.00084883
0.00217682 0.00963165 -0.00166896
26.43515976 -2.73929491 -5.89417967
-0.00028257 -0.00056630 -0.00020088
0.00216069 0.00547121 0.00009625
25.44891954 -1.34631979 -8.29784869
-0.00071185 -0.00017681 0.00006191
0.00703665 -0.01367030 0.00992715
9.21392926 -15.83384945 -7.64884849
-0.00020407 -0.00082941 0.00010558
-0.00926754 0.00510124 0.00070676
8.57635162 -12.93060058 -6.93309751
-0.00004961 0.00036831 -0.00059187
0.01114010 -0.01285150 -0.00409225
-5.32842252 -10.79791164 17.79272594
-0.00034742 -0.00001787 0.00015215
0.01234452 0.01396518 0.02192854
-6.55967712 -10.85932594 15.22258906
-0.00156171 0.00002602 0.00035231
0.00188240 -0.01071649 0.00701902
9.81285752 2.65914139 -30.03460357
-0.00020512 -0.00113767 0.00139304
0.01982408 -0.01423316 -0.00559029
6.90264581 2.56515837 -30.59651580
-0.00014590 0.00142279 -0.00059201
0.01700938 0.01642901 0.02133184
12.42967035 14.67219149 14.35062582
0.00041114 -0.00040713 0.00096540
-0.00090049 0.01145116 0.00807201
11.25839137 16.29520499 16.75395935
-0.00019521 -0.00030304 -0.00034582
0.01867380 0.00920351 0.05177450
28.73670319 5.07725034 -4.47954936
0.00074243 -0.00029113 -0.00020139
-0.00832874 0.00618430 -0.00048472
26.69536279 6.94617642 -3.08562122
0.00040968 -0.00072430 -0.00045397
0.01638710 -0.01319508 -0.01329430
-9.97917420 4.92204991 6.98304707
0.00001162 0.00005384 -0.00005384
0.00306323 -0.01443411 -0.01262469
-8.64532905 13.20762646 2.55633769
-0.00005933 0.00008511 0.00008095
0.00391629 -0.00021939 -0.00259172
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09475067
0.33197307
442.33747440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3835699103 (a.u.)
total exchange computation time: 2.7004539967 s
-154.2385768101
-931.43063004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3831782579 (a.u.)
total exchange computation time: 2.6993341446 s
-154.2426532247
Anderson extrapolation: theta=1.3834591660 (1.3834591660)
-931.43084373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3824972297 (a.u.)
total exchange computation time: 2.6986789703 s
-154.2490584037
Anderson extrapolation: theta=0.0679884864 (0.0679884864)
-931.43097830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3823401903 (a.u.)
total exchange computation time: 2.6974439621 s
-154.2501375919
Anderson extrapolation: theta=2.2618258201 (2.0000000000)
-931.43098577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3819877288 (a.u.)
total exchange computation time: 2.6993350983 s
-154.2524324894
Anderson extrapolation: theta=0.3906106642 (0.3906106642)
-931.43099538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3818441717 (a.u.)
total exchange computation time: 2.7006578445 s
-154.2532524935
Anderson extrapolation: theta=1.0904987552 (1.0904987552)
-931.43099803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3817103806 (a.u.)
total exchange computation time: 2.6993319988 s
-154.2538980831
Anderson extrapolation: theta=0.4916845742 (0.4916845742)
-931.43100011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3816721991 (a.u.)
total exchange computation time: 2.6987509727 s
-154.2539617648
Anderson extrapolation: theta=0.8163088672 (0.8163088672)
-931.43100092
-72.538683 23.275418 54.667407
558.982780 1032.519294 -412.402624
486.444097 1055.794712 -357.735217
1216.266755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3816642689 (a.u.)
total exchange computation time: 2.6989128590 s
679.03932377
-1083.89825149
89.75656275
-389.07163805
-174.87533412
78.35485115
551.60419304
0.00000000
-931.43100141
3.89435781 -30.88076356 -2.28093332
0.00007183 0.00034417 -0.00003651
-0.00195522 -0.00631798 0.01569607
-11.93576956 -2.22920259 -9.10616895
0.00033513 0.00020537 -0.00018046
0.00380938 0.01185437 0.01073611
-37.39148178 2.35075968 -0.12569913
-0.00003188 0.00021625 0.00010118
-0.01052668 0.00808389 0.00156136
-11.41175929 -3.92257933 3.86969504
-0.00041542 0.00006933 0.00003742
-0.00638025 -0.02707021 -0.00893528
4.75380100 -3.82376639 9.59616056
-0.00031195 -0.00010587 -0.00031909
-0.02376187 -0.03660793 -0.00401889
-31.96745983 -1.14557538 -0.70623127
0.00019847 0.00052460 0.00020198
-0.00563451 0.03007181 0.00070195
15.16002574 12.54610668 -14.08198004
-0.00057370 0.00013705 0.00003116
-0.05783688 0.03026378 -0.04085471
-7.73015253 5.77223410 2.41232794
-0.00005720 0.00029947 0.00017931
0.01501748 -0.00750930 -0.00205920
7.34781811 12.49341950 -5.51333465
0.00031946 0.00024145 -0.00016204
0.00389850 0.00516966 -0.02150530
8.98455777 9.75244230 -19.12407563
-0.00027495 0.00023934 0.00016828
-0.00574764 -0.00233223 0.02192740
23.17228704 17.49119351 -2.10872747
0.00043515 -0.00044954 -0.00008220
-0.01743252 -0.00969102 0.00850354
2.16332226 16.93501031 -19.05261644
0.00012144 -0.00000345 -0.00050130
0.02475307 -0.00192988 -0.03319511
14.07818645 -1.52484422 -5.29616728
0.00003106 0.00027031 0.00002328
0.01613196 -0.00818963 -0.02857160
-16.13941148 -1.92925426 3.39123822
-0.00002104 0.00023443 -0.00033163
0.03211612 0.01777941 -0.00629697
-17.05666376 -1.69225485 19.49452486
0.00027174 -0.00020037 -0.00016172
-0.00900756 -0.00104511 -0.01006635
0.21310202 2.18942936 -5.22195671
0.00018490 -0.00019414 0.00019486
-0.01513911 0.01252895 0.01328794
22.25889933 -7.15817559 -8.98667041
-0.00001615 0.00003396 -0.00003204
0.01873849 0.00536532 0.00995483
-0.43190013 -6.47701966 7.24316188
-0.00000603 0.00020202 -0.00000863
-0.00317836 -0.00249144 -0.00939872
-1.95104045 -1.54862782 -19.26729805
0.00017187 0.00016413 -0.00008299
0.02862818 -0.01513865 0.02283801
3.41727229 2.30454278 -9.30185427
-0.00026366 -0.00008573 -0.00003062
0.00106497 -0.00838540 0.00185133
-3.62186196 18.12658415 12.08378913
-0.00018982 -0.00031122 0.00001802
-0.02177481 0.01368675 -0.00329214
-3.61350302 4.99020214 -11.40739606
-0.00032044 0.00003990 0.00021665
0.00318407 -0.01238876 -0.07456173
-8.25378556 3.32682927 -8.91253184
0.00021578 -0.00030571 -0.00008941
0.01806255 0.02462975 -0.03014527
1.76872321 27.24223870 8.38684011
0.00051924 0.00024756 0.00010351
-0.01088334 -0.02344319 0.03581780
10.14476168 -6.17276114 -2.03578660
-0.00024279 -0.00007402 0.00006544
-0.00203687 -0.00877808 0.02780925
-8.85826564 0.48331676 5.82920322
0.00015626 0.00018538 0.00025807
-0.00476622 0.00447232 0.00612487
20.53297693 10.67153824 8.77880776
-0.00024375 0.00001299 0.00005587
-0.01482878 0.02467249 -0.01529090
-2.88586562 -2.17250437 -27.14473241
0.00046813 0.00007262 -0.00025133
0.00215346 0.01584203 -0.01386273
-14.27874494 6.01804584 7.35738986
-0.00007636 0.00019053 0.00032840
0.00441031 -0.00934359 0.00164449
-10.00814446 7.12035855 -2.69726293
0.00025623 0.00020477 0.00013206
0.00877551 -0.00457980 0.00094441
-1.61251657 -15.84052736 24.21222342
-0.00014201 0.00005504 -0.00054926
-0.07363236 -0.01681250 0.00493668
-2.56635450 6.42726012 -6.48097258
0.00005974 -0.00023095 0.00010163
-0.03714791 0.01409770 -0.00370398
-20.51312866 31.10820007 4.63695277
0.00054075 0.00001750 -0.00005454
-0.01003742 0.02164486 0.01034857
7.57196275 -0.01138319 8.16325041
-0.00005393 0.00007475 -0.00030750
-0.00349970 0.00596189 -0.01385187
5.43357740 11.22744368 -13.93276591
0.00008669 0.00021815 -0.00022356
0.01756232 -0.00569253 0.03246575
15.95200081 3.29452334 -1.95063999
-0.00037328 -0.00051252 -0.00008994
0.01189677 0.01162186 0.01076572
-4.02565005 13.62169811 -1.34118029
-0.00022318 0.00007664 0.00033107
-0.00511687 -0.01134821 0.01269715
4.56304489 12.83195349 3.33238423
0.00002920 -0.00010475 -0.00009355
0.03100841 -0.02685033 0.00049094
24.81149155 -11.85242453 -9.45915009
-0.00004308 0.00011886 -0.00002024
-0.01670937 0.00373615 0.02919771
16.45343509 -3.98477444 -0.32106499
-0.00026898 0.00011131 -0.00016738
-0.01259257 0.03661436 0.00829273
12.88763781 7.89860391 9.79609966
0.00009632 -0.00009492 0.00023532
-0.00406222 -0.01530966 0.01312270
1.85901176 -13.75190123 17.71944806
-0.00035702 -0.00011791 -0.00006292
-0.02730224 0.02726622 -0.00374534
-4.43279459 -0.57004991 -14.68027777
0.00001707 -0.00019327 0.00011706
0.02183157 0.02726871 -0.03139349
14.90971015 -8.28555983 -9.17683983
0.00012003 0.00018210 0.00016438
0.01681673 0.00967221 0.01510329
8.98497546 -6.44348836 8.46794094
-0.00025126 -0.00044121 0.00016939
-0.03797191 0.00310082 0.02292799
-21.34545076 2.25404908 22.53332244
-0.00009058 -0.00010627 0.00019122
0.00903239 -0.00123080 -0.01573455
25.86313315 -3.04217897 -7.62059783
0.00001041 -0.00023390 -0.00042254
-0.01264900 0.01020848 -0.00894986
9.86164020 -14.09929680 -7.60525113
-0.00010106 -0.00006798 -0.00014344
-0.00177040 0.01036699 -0.00357145
-6.11708750 -11.96586083 16.68224877
-0.00046104 -0.00053686 0.00013515
-0.01200891 -0.00095134 -0.02346135
8.26643893 3.42504529 -29.56087210
-0.00010970 0.00010798 0.00018684
-0.03804903 -0.00976471 -0.01406249
11.04630170 15.72782654 15.12353005
-0.00022366 -0.00015958 0.00007393
-0.02336962 -0.03449250 -0.05381527
28.40258622 6.12779554 -3.01220028
0.00022741 -0.00020926 -0.00001958
-0.00740307 0.00881756 0.00537483
5.27462310 -31.49770376 -3.34757675
-0.00021262 0.00040616 0.00007808
0.00253304 0.00289869 -0.00238292
4.30654716 -31.38592867 -0.55385046
-0.00071756 -0.00066885 -0.00047102
-0.00542209 0.00168731 -0.00433485
-11.86161559 -4.00347117 -8.60921278
0.00067715 -0.00008034 0.00081621
-0.00073520 -0.00323604 0.00207676
-12.46104719 -2.30208377 -10.81050676
-0.00041909 0.00045504 0.00034128
-0.00497135 0.00345030 -0.01975983
-38.65715689 2.06271939 1.18944478
-0.00120455 0.00021804 0.00004766
0.00937506 0.00179706 -0.00757221
-37.81827913 4.02069729 -0.99296595
-0.00002378 0.00079409 -0.00023543
0.00389744 -0.01692601 0.00971865
-10.83969599 -5.62490905 3.34958165
0.00042221 -0.00095495 -0.00037784
-0.00094868 0.00721311 0.00908838
-9.90341577 -2.94971138 3.70210304
-0.00026936 -0.00024027 -0.00042299
0.00999865 0.01602727 0.00205317
5.57930585 -2.28623461 9.29551277
-0.00053432 -0.00021199 -0.00097325
0.01971340 0.03468023 -0.00970938
4.17412855 -3.67278707 11.30571192
0.00055663 0.00098977 -0.00002407
0.00172176 -0.00711519 0.01185366
-33.40939817 -2.22403643 -0.60550977
0.00054130 0.00010459 -0.00067866
-0.01236677 -0.00245883 0.00251026
-32.56818177 0.57314104 -0.34953417
0.00073602 -0.00041215 0.00051182
-0.00121757 -0.01567818 0.00455181
14.93320888 13.17232211 -15.92605367
0.00035798 -0.00095735 0.00075803
-0.00552839 -0.01115554 0.03741604
16.80840447 12.03692972 -14.07865062
-0.00032743 0.00018397 0.00065742
0.06101204 -0.02510547 0.00378988
-8.26231550 7.14296690 1.32075095
-0.00070994 0.00041060 -0.00023200
0.00142972 -0.00571254 0.00038598
-6.90629966 4.52618161 1.24713572
0.00019866 -0.00093429 -0.00047974
-0.01591519 0.01331563 0.00874320
6.14726010 12.67144008 -6.88750526
0.00032258 -0.00039704 0.00067442
-0.00428489 -0.00622258 0.00243469
8.65070537 13.72293599 -6.09392529
-0.00015183 -0.00064643 -0.00044141
0.00537923 -0.00318775 0.00245748
8.97949615 9.14508367 -20.81035710
-0.00008647 -0.00022838 0.00035518
0.00292302 -0.00744971 -0.01677624
10.74891263 10.01814893 -18.68467279
0.00068735 0.00028065 -0.00082425
-0.00265753 0.00897487 -0.00695763
24.39977192 16.14684681 -2.47521760
-0.00102161 -0.00051688 -0.00038393
-0.00202031 0.00050048 -0.00089050
24.07303025 19.03965056 -2.14758700
0.00066551 -0.00052118 -0.00026562
0.01944519 0.01375846 -0.00494815
2.12637603 17.54526760 -20.84330504
-0.00035889 -0.00080290 0.00044572
-0.01328387 -0.00822297 0.01904921
3.41311491 15.45778787 -19.18938055
-0.00052234 -0.00121375 -0.00024559
-0.02432518 0.01095781 0.01184459
13.28450004 -2.23447539 -6.82413379
-0.00095248 0.00124064 -0.00028988
-0.00341665 0.01692227 0.01410564
12.86738400 -0.88030991 -4.12420538
0.00017516 -0.00026542 0.00019918
-0.01366637 -0.00630002 0.00285739
-17.32409630 -3.23424015 3.58076656
-0.00040944 0.00078850 -0.00012855
-0.03527915 -0.01786107 0.00850553
-14.65065272 -2.89635143 2.87852516
0.00112004 0.00059222 0.00029230
0.00468997 0.01382470 0.00860548
-16.52702564 -0.03696739 20.10829932
0.00028843 0.00007547 -0.00109331
0.00481788 0.00944912 0.00688218
-15.63574614 -2.73947571 19.83441567
-0.00067938 -0.00034373 -0.00126324
0.00900918 -0.00925912 0.00317597
-0.86897943 0.75173365 -4.87914057
0.00049913 -0.00025346 -0.00039395
-0.00143367 -0.01582848 -0.00664962
-1.04696293 3.51504697 -4.80982075
0.00021676 0.00029704 0.00057339
0.01566224 0.00177564 -0.01259445
23.13257541 -8.76290561 -9.15253467
0.00160244 -0.00006612 -0.00024682
-0.00277967 -0.00341555 0.00095308
23.53166463 -6.02876958 -8.22572506
0.00110168 -0.00032849 -0.00019524
-0.01091677 -0.00201556 -0.00536538
0.68268807 -5.85884096 5.87577870
-0.00034595 -0.00055763 -0.00054301
-0.00796512 -0.00496215 0.01093256
-0.39380026 -5.26348607 8.58314592
-0.00051880 0.00005011 0.00004914
0.00510239 0.00303176 0.00441861
-0.98463892 -3.08833495 -18.69042015
0.00058034 0.00002716 0.00067677
-0.02237298 0.02416866 -0.01864944
-3.47663162 -2.05454553 -20.11915213
0.00007369 0.00060839 -0.00080168
-0.00666370 -0.01425102 -0.00723864
2.99456738 2.97822933 -10.96513532
0.00035871 -0.00164339 0.00028976
-0.00805145 0.00003228 0.00785329
1.96136818 2.23925490 -8.11444420
-0.00015304 0.00011438 -0.00033243
0.00652216 0.01070343 -0.00832233
-2.38492787 16.84894237 12.49361319
0.00037905 -0.00032319 0.00091997
0.01060399 -0.00654385 0.00417221
-3.78272081 19.16126248 13.59601215
0.00037168 0.00098633 0.00046514
0.00710378 -0.00390123 -0.00043855
-4.00226610 6.21289597 -12.88062847
-0.00069191 -0.00001563 0.00142324
0.00819816 -0.02738258 0.04303344
-3.15645047 3.35050597 -12.35635466
0.00079879 0.00069175 0.00097431
-0.01613976 0.03429362 0.02405283
-7.61695916 2.28891931 -7.58148448
-0.00046831 0.00030582 0.00023962
0.00950464 -0.00813114 0.00417121
-6.77829444 4.10087021 -9.88449615
0.00127353 -0.00030127 0.00029452
-0.02994512 -0.02034174 0.02660698
1.85916720 28.18872309 6.88535462
0.00025873 -0.00016819 -0.00018734
0.00459115 0.02094727 -0.02414666
0.07813665 27.50604919 9.05468935
-0.00008227 -0.00013226 0.00043349
0.00977003 0.00243431 -0.00398785
11.02033847 -6.56819493 -0.41972530
-0.00068231 -0.00037100 -0.00024856
-0.00199305 0.00047447 -0.01791721
8.93537103 -7.56004635 -2.11558367
-0.00032991 0.00018508 -0.00082303
0.00414392 0.00794931 -0.00398689
-7.13462181 0.02911523 6.49615748
0.00047211 0.00079387 -0.00076404
-0.01431873 -0.00054636 -0.00113092
-10.14211033 -0.22948882 6.93849180
0.00132407 -0.00058895 -0.00065824
0.00936762 0.00030247 -0.00437503
21.30100237 10.44689741 10.38572385
0.00082804 0.00027824 -0.00048221
0.00962060 -0.00735283 0.01625816
20.53435530 12.54361835 8.61069623
0.00038311 -0.00072947 0.00046486
0.00813749 -0.01350431 -0.00591035
-1.77200111 -2.94680170 -25.98239842
0.00053660 -0.00037694 0.00042872
0.02345539 -0.02152615 0.00930031
-4.42725828 -2.28370024 -26.22911071
-0.00063649 -0.00024443 0.00019411
-0.02249035 0.00249150 0.00329737
-14.61596842 7.09907229 8.78237075
0.00080244 -0.00029539 0.00089130
-0.00383928 0.00422265 -0.00565694
-14.27320232 7.10096998 5.88662670
-0.00086501 -0.00005279 -0.00009104
-0.00650883 0.00681799 -0.00059932
-11.19644334 6.76615698 -4.01434038
0.00007686 -0.00064766 0.00050573
-0.01776225 -0.00414323 -0.00175719
-8.88612116 8.08980055 -3.74698137
0.00061224 0.00027472 0.00007593
0.01585495 0.01448438 0.00031224
-1.20896199 -17.53670643 23.52655193
-0.00014360 0.00048678 0.00005384
0.01051206 0.00888382 0.00135410
-3.57807105 -15.98505005 24.50087829
-0.00018863 0.00047202 0.00001479
0.06091299 0.01135241 -0.00647073
-3.30610940 5.64744660 -8.01268758
-0.00009711 -0.00036141 -0.00006483
0.01671802 0.00888041 0.01245317
-3.95008750 7.67938865 -6.00972605
0.00011853 0.00062932 -0.00024217
0.02029326 -0.01507117 -0.00464166
-21.70538813 30.09155020 3.64778855
0.00061386 0.00059516 -0.00169770
-0.00306340 -0.00793195 -0.01455679
-21.72493268 32.26021178 5.46954839
0.00118615 0.00024330 -0.00103874
0.01293648 -0.01192623 0.00468397
6.88442609 -0.24109463 6.43400521
0.00040987 -0.00044962 0.00045958
0.00734942 -0.00478409 0.00562118
6.92503543 1.61247291 8.66231067
0.00087261 0.00031084 0.00061819
0.00185031 0.00511301 -0.00042045
6.69752637 12.40235589 -13.25281748
-0.00011629 0.00083331 0.00004893
-0.00573150 -0.00330306 -0.01075563
4.59684885 12.15807991 -15.21428338
0.00023620 -0.00080379 0.00120597
-0.00618183 0.01142897 -0.01052524
14.60668264 4.44680842 -2.44336036
-0.00037746 -0.00052959 -0.00107071
-0.00655255 -0.00454482 -0.00547243
15.48203479 1.57972443 -2.23020368
-0.00036529 0.00017005 0.00078968
-0.00565928 -0.00692114 -0.00514994
-2.47461578 13.40074392 -0.42531914
-0.00002110 0.00018008 0.00015916
0.01184297 0.00161055 -0.00649559
-5.21854790 13.26226127 0.03818053
-0.00048375 -0.00044584 0.00077722
-0.00835081 -0.00317651 -0.00695851
3.62363516 11.18357635 3.66548542
-0.00026655 -0.00179584 0.00033394
0.00511894 0.01200330 -0.00758852
6.41576422 12.42234468 3.53946622
-0.00021514 -0.00004175 0.00041073
-0.02842466 -0.00011368 -0.00508680
24.91305727 -13.55257953 -8.79694243
0.00081379 -0.00011527 0.00023952
0.00052847 0.00518667 -0.00120404
25.53580115 -11.76961033 -11.08114947
0.00125764 0.00075646 -0.00016261
0.01976680 -0.00382962 -0.03376263
14.69675262 -3.80097771 -0.84840677
-0.00006948 -0.00046879 -0.00011152
0.01871692 -0.00019886 0.00378068
17.10143150 -5.58557984 -0.78008875
0.00082949 -0.00031520 -0.00000844
0.00688513 -0.02303170 -0.01064711
11.74202693 7.87536365 11.26034762
0.00056973 0.00053483 -0.00068277
0.00865923 0.00924234 -0.00371180
12.95878102 9.54946410 9.07329150
-0.00078131 -0.00016483 0.00028352
0.00278925 0.01761850 0.00198807
0.20908002 -14.19850886 16.95106039
-0.00058830 -0.00003551 0.00016092
0.01307782 -0.01180265 0.00462940
1.53310056 -11.94335348 18.05876335
0.00023458 -0.00067626 0.00017062
0.01463004 -0.01724350 0.00214302
-4.37165276 -1.86940598 -13.49558173
0.00059164 -0.00092958 -0.00007261
0.00180271 -0.03213504 0.03342814
-3.15927904 -1.01592062 -15.99357585
-0.00023067 0.00117340 0.00111558
-0.01490488 0.00713242 0.00430975
15.05327170 -8.61123498 -10.99903850
-0.00117468 0.00128398 0.00074478
-0.00362873 0.00546708 -0.00295694
15.93767622 -6.75955961 -8.77139274
0.00043198 0.00177538 -0.00004016
-0.00736852 -0.01746213 -0.01654198
7.32438054 -5.59453423 8.95894764
-0.00075946 -0.00013768 0.00071049
0.01925324 -0.01565622 0.00282657
9.36083843 -5.37503195 7.08508138
-0.00042945 -0.00001039 0.00013595
0.01758614 0.00778345 -0.02196765
-20.78524656 2.32093305 20.74276261
0.00038649 0.00066579 -0.00033606
-0.01313468 -0.00605885 0.01945299
-22.03073611 0.58565568 22.93382283
0.00075293 0.00025322 0.00084159
0.00092371 0.00628625 -0.00187804
26.43098746 -2.74762173 -5.89718994
-0.00027391 -0.00054373 -0.00020125
0.00207475 0.00557858 -0.00027821
25.43845737 -1.34939088 -8.29661581
-0.00068284 -0.00023275 0.00010264
0.00716737 -0.01371149 0.01000689
9.21058420 -15.84613429 -7.64724315
-0.00023882 -0.00079957 0.00010858
-0.00774113 0.00950710 0.00076152
8.57594890 -12.92546977 -6.94210096
-0.00000369 0.00031431 -0.00060831
0.01133828 -0.01358030 -0.00395536
-5.33325556 -10.79775172 17.79568011
-0.00030022 0.00003409 0.00023698
0.01076002 0.01146848 0.01959729
-6.58304504 -10.85926408 15.22808878
-0.00155178 -0.00002099 0.00038410
0.00297775 -0.01229108 0.00854283
9.81038813 2.64164018 -30.01387927
-0.00012767 -0.00119484 0.00137077
0.01809023 -0.01375108 -0.00530999
6.90097852 2.58700368 -30.60474222
-0.00007761 0.00148742 -0.00050537
0.01642004 0.01520503 0.02107904
12.43580981 14.66643537 14.36535419
0.00040502 -0.00035851 0.00099735
-0.00209363 0.01235001 0.00756592
11.25603537 16.29094145 16.75035856
-0.00011892 -0.00026260 -0.00012705
0.01867476 0.01059232 0.05531345
28.74758436 5.07307296 -4.48258502
0.00070790 -0.00026397 -0.00020014
-0.00856993 0.00710623 0.00109476
26.70201010 6.93490755 -3.09283817
0.00047233 -0.00077563 -0.00050781
0.01428238 -0.01193140 -0.01305989
-9.97899167 4.92281876 6.98220555
0.00001270 0.00004867 -0.00005837
0.00297477 -0.01443957 -0.01266866
-8.64621211 13.20890270 2.55754745
-0.00005843 0.00008505 0.00008031
0.00381334 -0.00030852 -0.00294152
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09542235
0.33557906
447.14227144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3802022611 (a.u.)
total exchange computation time: 2.6954009533 s
-154.2279744978
-931.43350138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3799561506 (a.u.)
total exchange computation time: 2.6984989643 s
-154.2313305242
Anderson extrapolation: theta=1.3601844874 (1.3601844874)
-931.43370537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3795547128 (a.u.)
total exchange computation time: 2.6963498592 s
-154.2363604536
Anderson extrapolation: theta=0.0594311221 (0.0594311221)
-931.43382959
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3794790799 (a.u.)
total exchange computation time: 2.6968529224 s
-154.2370601503
Anderson extrapolation: theta=2.1051258489 (2.0000000000)
-931.43383526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3793187823 (a.u.)
total exchange computation time: 2.6968648434 s
-154.2384817238
Anderson extrapolation: theta=0.3024766619 (0.3024766619)
-931.43384198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3792775913 (a.u.)
total exchange computation time: 2.6957809925 s
-154.2388038979
Anderson extrapolation: theta=1.4368463622 (1.4368463622)
-931.43384354
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3792428501 (a.u.)
total exchange computation time: 2.6962628365 s
-154.2390290433
Anderson extrapolation: theta=0.3688890875 (0.3688890875)
-931.43384508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3792534699 (a.u.)
total exchange computation time: 2.6956601143 s
-154.2388941572
Anderson extrapolation: theta=1.0329288840 (1.0329288840)
-931.43384556
-72.507975 23.210746 54.723531
559.014661 1032.492068 -412.389216
486.506687 1055.702814 -357.665684
1216.191567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3792806431 (a.u.)
total exchange computation time: 2.6966249943 s
679.01103904
-1083.81459208
89.74894737
-389.13021150
-174.86974808
78.30624120
551.60419304
0.00000000
-931.43384588
3.89542774 -30.87562538 -2.28142045
0.00007044 0.00034103 -0.00002883
-0.00344256 -0.00587480 0.01417581
-11.93072798 -2.22607632 -9.10883439
0.00033737 0.00021075 -0.00017392
0.00491033 0.00906716 0.01467830
-37.39200059 2.35403461 -0.12417534
-0.00003838 0.00022085 0.00010256
-0.01475898 0.00981497 0.00377650
-11.41801517 -3.92164377 3.87022182
-0.00041793 0.00005370 0.00003227
-0.00338843 -0.03372644 -0.01107733
4.74903012 -3.82549568 9.59135863
-0.00032416 -0.00012455 -0.00032081
-0.02372383 -0.03602503 -0.00265667
-31.96450449 -1.13759038 -0.70319885
0.00019634 0.00053833 0.00020194
-0.00263973 0.02332553 -0.00085499
15.15119709 12.54827917 -14.08167018
-0.00060214 0.00015178 0.00001121
-0.05273715 0.02701392 -0.03673710
-7.73095259 5.77669721 2.41500963
-0.00004899 0.00029506 0.00017674
0.01692484 -0.00966140 -0.00793601
7.35262507 12.49706119 -5.51584827
0.00032140 0.00024314 -0.00017173
0.00362575 0.00139441 -0.01617839
8.98041137 9.75602338 -19.12146679
-0.00027648 0.00023822 0.00017964
-0.00022165 -0.00202936 0.02224777
23.17874701 17.48441307 -2.10992761
0.00042508 -0.00045320 -0.00007764
-0.02169788 -0.00457145 0.00922557
2.16523940 16.93495118 -19.06026397
0.00013424 -0.00000547 -0.00051653
0.02499305 -0.00592977 -0.02602165
14.07871464 -1.52082110 -5.29592825
0.00003909 0.00026584 0.00000796
0.01508937 -0.00920488 -0.03101067
-16.13960319 -1.92566917 3.38623949
-0.00000370 0.00024349 -0.00033496
0.03529562 0.01745587 -0.00664918
-17.05262235 -1.69526451 19.49206018
0.00026544 -0.00019984 -0.00016742
-0.01550177 0.00311855 -0.01210181
0.21581711 2.18656559 -5.21898260
0.00017715 -0.00018684 0.00020167
-0.01498804 0.01586676 0.01319789
22.25872934 -7.15764553 -8.98711263
-0.00000481 0.00003567 -0.00002666
0.02538498 0.00128996 0.01096875
-0.43200281 -6.47399903 7.24299618
-0.00000787 0.00020033 -0.00001350
-0.00398639 -0.00407746 -0.00953444
-1.94835199 -1.54622433 -19.26845477
0.00018647 0.00015590 -0.00007136
0.02816493 -0.01685210 0.02238248
3.41332153 2.30322450 -9.30230640
-0.00026225 -0.00009068 -0.00002830
0.00440669 -0.01087157 0.00717477
-3.62479323 18.12196867 12.08404674
-0.00020042 -0.00030392 0.00001819
-0.01945275 0.01467826 0.00394566
-3.61829740 4.99075290 -11.40443398
-0.00031870 0.00003361 0.00017998
0.00358273 -0.01209115 -0.06802704
-8.25047924 3.32233863 -8.91398921
0.00022545 -0.00029244 -0.00010569
0.01955986 0.02697630 -0.03318645
1.77646976 27.24586167 8.38853093
0.00051270 0.00023573 0.00012220
-0.01454366 -0.02256853 0.03687258
10.14111196 -6.17390522 -2.03469772
-0.00024401 -0.00007821 0.00007905
-0.00269737 -0.00754688 0.02510536
-8.85594006 0.48611469 5.83309783
0.00015502 0.00018864 0.00025975
-0.00007918 0.00822612 0.00042576
20.52926344 10.67182825 8.77958679
-0.00025124 0.00002451 0.00004824
-0.01427977 0.02014110 -0.01435276
-2.87883536 -2.17135395 -27.14855586
0.00046800 0.00007992 -0.00025621
-0.00264532 0.01252954 -0.00511578
-14.27987336 6.02086780 7.36232222
-0.00007405 0.00018573 0.00032893
0.00457774 -0.00931647 0.00040966
-10.00426715 7.12341238 -2.69527832
0.00026107 0.00020261 0.00013229
0.01005630 -0.00379990 -0.00008390
-1.61493080 -15.83976656 24.20400351
-0.00017983 0.00004756 -0.00054621
-0.07342647 -0.01229571 0.00692921
-2.56560166 6.42385031 -6.47946243
0.00004024 -0.00022346 0.00009959
-0.03870405 0.01501904 -0.00423510
-20.50505616 31.10854606 4.63617453
0.00053595 0.00002745 -0.00005048
-0.00860397 0.01704656 0.00544843
7.57114030 -0.01023900 8.15858442
-0.00005517 0.00007800 -0.00031298
-0.00132973 0.00670533 -0.00744585
5.43494557 11.23069403 -13.93599415
0.00009779 0.00021377 -0.00020395
0.02559400 -0.01135680 0.04380091
15.94644751 3.28688040 -1.95194760
-0.00036715 -0.00050459 -0.00008427
0.01191909 0.01920682 0.01130789
-4.02901744 13.62280388 -1.33616530
-0.00022627 0.00007060 0.00033831
-0.00691916 -0.01212244 0.01546759
4.56360247 12.83027865 3.33098289
0.00004383 -0.00012016 -0.00009301
0.02587731 -0.03308344 0.00161247
24.81078085 -11.85062722 -9.45934107
-0.00005097 0.00012030 -0.00000660
-0.01395837 0.00187150 0.02383765
16.44935176 -3.98296360 -0.32354365
-0.00027426 0.00012865 -0.00016340
-0.00792128 0.03084636 0.00716219
12.88906693 7.89712109 9.79968009
0.00009523 -0.00010262 0.00024077
-0.00018477 -0.01465816 0.00807462
1.85355111 -13.75356469 17.71848988
-0.00037084 -0.00010504 -0.00006501
-0.02642928 0.02277597 -0.00441403
-4.43245438 -0.57284373 -14.67864301
0.00002715 -0.00017975 0.00010317
0.01738370 0.02530915 -0.02260727
14.91157544 -8.28279105 -9.17431584
0.00012960 0.00018903 0.00017398
0.02039630 0.01727291 0.02223261
8.98106002 -6.45009458 8.47057021
-0.00027130 -0.00043896 0.00018098
-0.03995660 0.00567058 0.02214318
-21.34677459 2.25245033 22.53613004
-0.00008521 -0.00010566 0.00018214
0.01182707 0.00357202 -0.01957097
25.86324055 -3.04564808 -7.62697043
0.00000398 -0.00022874 -0.00042694
-0.01238287 0.00985070 -0.00817979
9.86011754 -14.10027657 -7.60741652
-0.00010229 -0.00006361 -0.00014537
-0.00304834 0.00666103 -0.00393332
-6.12404945 -11.97391741 16.68418550
-0.00046688 -0.00053620 0.00012348
-0.01068437 0.00352576 -0.02192148
8.26464674 3.42662728 -29.55812368
-0.00012834 0.00010305 0.00017966
-0.03444269 -0.00940628 -0.01386171
11.04285664 15.72529979 15.12443135
-0.00023527 -0.00017745 0.00004608
-0.02175678 -0.03498948 -0.05447384
28.40596884 6.12469066 -3.01247323
0.00022427 -0.00020523 -0.00001729
-0.00483253 0.00684380 0.00354103
5.27151136 -31.49152257 -3.34647857
-0.00020000 0.00041669 0.00006706
0.00364570 0.00225903 -0.00301098
4.29561765 -31.39590976 -0.56104866
-0.00073810 -0.00066271 -0.00048425
-0.00463215 0.00131921 -0.00214110
-11.85148088 -4.00477547 -8.59690598
0.00067333 -0.00008709 0.00082068
-0.00113548 -0.00006562 0.00011252
-12.46748589 -2.29515244 -10.80599300
-0.00044067 0.00046756 0.00025684
-0.00559265 0.00267598 -0.02157543
-38.67493786 2.06604509 1.18992768
-0.00115877 0.00022653 0.00000939
0.01303522 0.00235541 -0.01116096
-37.81851646 4.03208997 -0.99619957
-0.00000669 0.00071970 -0.00019320
0.00447073 -0.01948907 0.01095079
-10.83339190 -5.63901225 3.34419247
0.00041299 -0.00091205 -0.00033636
-0.00356593 0.01378370 0.01121728
-9.90714975 -2.95282429 3.69582115
-0.00022905 -0.00017477 -0.00041463
0.00973031 0.01603440 0.00203784
5.57189510 -2.28835169 9.28061646
-0.00045352 -0.00007058 -0.00101414
0.01983862 0.03454129 -0.01030699
4.18253084 -3.65815861 11.30571415
0.00056382 0.00095968 0.00002310
0.00179667 -0.00761375 0.01123613
-33.40165765 -2.22254299 -0.61561282
0.00048990 0.00009481 -0.00066818
-0.01279423 -0.00232680 0.00262055
-32.55717882 0.56647838 -0.34171739
0.00072546 -0.00046308 0.00053325
-0.00394971 -0.00925445 0.00593661
14.93840910 13.15762007 -15.91353667
0.00033310 -0.00099841 0.00090134
-0.00664830 -0.00894671 0.03273548
16.80536260 12.03891991 -14.06867323
-0.00008601 0.00008390 0.00067456
0.05716597 -0.02387851 0.00460019
-8.27292071 7.14895081 1.31728273
-0.00070123 0.00038070 -0.00022663
0.00283140 -0.00892345 0.00224573
-6.90380752 4.51257523 1.24020748
0.00012727 -0.00086918 -0.00043655
-0.01902730 0.01855987 0.01239819
6.15196749 12.66529383 -6.87731438
0.00029812 -0.00042134 0.00067643
-0.00768752 -0.00567290 -0.00145121
8.64859271 13.71314188 -6.10047107
-0.00012333 -0.00065288 -0.00043394
0.00857469 0.00003167 0.00119627
8.97828871 9.14142969 -20.80554349
-0.00007609 -0.00025887 0.00028655
0.00215697 -0.00747518 -0.01681701
10.75914141 10.02263372 -18.69724971
0.00066690 0.00031648 -0.00085316
-0.00735384 0.00856555 -0.00719472
24.38438588 16.13910898 -2.48100379
-0.00102177 -0.00052176 -0.00038954
0.00194323 -0.00289213 -0.00185940
24.08360874 19.03225445 -2.15172294
0.00074453 -0.00046722 -0.00028552
0.01923410 0.01265501 -0.00479440
2.12058559 17.53297206 -20.83603549
-0.00041259 -0.00083162 0.00051017
-0.01300308 -0.00583207 0.01250107
3.40453443 15.43991738 -19.19270142
-0.00062196 -0.00116570 -0.00019720
-0.02444177 0.01256257 0.01183975
13.27010811 -2.21534718 -6.82804979
-0.00096352 0.00131026 -0.00023004
-0.00198609 0.01715307 0.01518721
12.86959267 -0.88448426 -4.12113006
0.00011851 -0.00028951 0.00021355
-0.01406535 -0.00549190 0.00417515
-17.33131902 -3.22295990 3.57909900
-0.00055167 0.00071351 -0.00009499
-0.03434032 -0.01885122 0.00791854
-14.63370841 -2.88704447 2.88317328
0.00113076 0.00065037 0.00032951
0.00055611 0.01463858 0.00961196
-16.52255162 -0.03554575 20.09211050
0.00030908 0.00011314 -0.00106419
0.00529110 0.00898852 0.00737272
-15.64566074 -2.74491540 19.81556440
-0.00063045 -0.00038911 -0.00124671
0.01494159 -0.01295659 0.00491544
-0.86153635 0.74744675 -4.88525365
0.00049045 -0.00031983 -0.00041984
-0.00281950 -0.01666206 -0.00601942
-1.04323158 3.51955695 -4.80160578
0.00028322 0.00029942 0.00052085
0.01686847 -0.00061061 -0.01312825
23.15652689 -8.76400204 -9.15620783
0.00158269 -0.00007108 -0.00024263
-0.00688935 0.00098606 0.00109781
23.54785537 -6.03375865 -8.22881814
0.00105148 -0.00033757 -0.00021931
-0.01365653 -0.00243160 -0.00641664
0.67725467 -5.86735742 5.86796863
-0.00037752 -0.00057569 -0.00049780
-0.00748423 -0.00387823 0.01119544
-0.40142589 -5.26264150 8.58401835
-0.00049687 0.00006368 0.00006657
0.00563041 0.00360926 0.00411773
-0.97661939 -3.08718698 -18.68084008
0.00048498 0.00012952 0.00059801
-0.02430576 0.02594005 -0.01990576
-3.47573045 -2.04585632 -20.13139908
0.00005149 0.00055029 -0.00082798
-0.00420573 -0.01419278 -0.00563837
2.99970136 2.95357954 -10.96054822
0.00032201 -0.00163756 0.00030871
-0.00991394 0.00281773 0.00142075
1.95927242 2.24129853 -8.11968568
-0.00012917 0.00015783 -0.00036399
0.00516487 0.01056608 -0.00712851
-2.37891713 16.84389392 12.50754064
0.00041660 -0.00034394 0.00093438
0.00777375 -0.00360854 0.00288181
-3.77692794 19.17593793 13.60297582
0.00040159 0.00096194 0.00045156
0.00753671 -0.00804096 -0.00621134
-4.01239359 6.21182240 -12.85796115
-0.00065968 -0.00012250 0.00159064
0.00758063 -0.02492882 0.03891098
-3.14496324 3.36193302 -12.34100300
0.00073316 0.00082626 0.00106791
-0.01598687 0.03155215 0.02176630
-7.62369255 2.29325751 -7.57776243
-0.00042753 0.00026938 0.00026099
0.01045817 -0.00970966 0.00629105
-6.76010914 4.09572776 -9.87926305
0.00114625 -0.00038626 0.00040505
-0.03235828 -0.02125892 0.02749782
1.86318883 28.18684211 6.88180459
0.00027628 -0.00008379 -0.00028437
0.00399900 0.02036699 -0.02335087
0.07720205 27.50413989 9.06106944
-0.00003392 -0.00012280 0.00041321
0.01389515 0.00219760 -0.00593873
11.01004269 -6.57374540 -0.42400275
-0.00068820 -0.00037017 -0.00031691
-0.00088718 -0.00006992 -0.01553912
8.93054933 -7.55702650 -2.12805133
-0.00031396 0.00021636 -0.00083877
0.00366574 0.00735854 -0.00371534
-7.12797896 0.04100657 6.48466227
0.00041469 0.00079012 -0.00076692
-0.01378946 -0.00128924 -0.00027849
-10.12196223 -0.23831382 6.92848421
0.00135129 -0.00059401 -0.00066596
0.00395662 -0.00278055 0.00059202
21.31371776 10.45084568 10.37898884
0.00086763 0.00024663 -0.00041547
0.00975971 -0.00812091 0.01641172
20.54035134 12.53226244 8.61748800
0.00041494 -0.00077403 0.00043832
0.00744083 -0.00830713 -0.00707952
-1.76323329 -2.95311545 -25.97568260
0.00062414 -0.00045937 0.00045874
0.01939155 -0.01882360 0.00539318
-4.43749486 -2.28729027 -26.22609801
-0.00071020 -0.00023307 0.00019759
-0.01358931 0.00306626 -0.00159500
-14.60404946 7.09477077 8.79556686
0.00078668 -0.00027724 0.00086700
-0.00387692 0.00466642 -0.00623443
-14.28637691 7.10038708 5.88524268
-0.00089134 -0.00002588 -0.00008963
-0.00638105 0.00635465 0.00129344
-11.19583477 6.75631505 -4.00680825
0.00000624 -0.00066303 0.00049870
-0.01680610 -0.00337623 -0.00168250
-8.87645175 8.09436523 -3.74583289
0.00067241 0.00033080 0.00007896
0.01359838 0.01296836 0.00117457
-1.21079382 -17.52913246 23.52740099
-0.00009962 0.00051550 0.00005644
0.01101251 0.00517168 -0.00008254
-3.57903387 -15.97762195 24.50090180
0.00005969 0.00051754 -0.00001239
0.06064111 0.01093056 -0.00683333
-3.30705375 5.64229764 -8.01327847
-0.00002780 -0.00032372 -0.00001160
0.01720738 0.00956896 0.01360501
-3.94768773 7.68836655 -6.01350090
0.00020342 0.00056471 -0.00026204
0.02126134 -0.01655576 -0.00508102
-21.69627411 30.10023450 3.62187701
0.00060498 0.00056614 -0.00175241
-0.00128453 -0.00627357 -0.01222263
-21.70674409 32.26349584 5.45411086
0.00123157 0.00020019 -0.00101490
0.00929730 -0.00917617 0.00698404
6.89079930 -0.24798554 6.44107113
0.00043499 -0.00046770 0.00047257
0.00494661 -0.00406700 0.00073860
6.93818134 1.61729213 8.67157058
0.00088027 0.00032884 0.00061316
0.00189835 0.00370051 -0.00203892
6.69560634 12.41475434 -13.25241306
-0.00014215 0.00081672 0.00000295
-0.00692535 -0.00481614 -0.01175501
4.60020236 12.14637325 -15.19651641
0.00019676 -0.00074220 0.00114186
-0.01312132 0.01872101 -0.02085287
14.60081992 4.43872529 -2.45958868
-0.00040100 -0.00054977 -0.00109095
-0.00496805 -0.00533446 -0.00443570
15.47638207 1.58206306 -2.21851634
-0.00039158 0.00012836 0.00076663
-0.00721003 -0.01348580 -0.00613301
-2.47456933 13.40349449 -0.42313085
0.00002572 0.00018675 0.00013228
0.01107529 0.00165450 -0.00665991
-5.22606003 13.25547639 0.04962558
-0.00051273 -0.00045697 0.00074345
-0.00583746 -0.00227168 -0.00956929
3.61979379 11.15700649 3.67026202
-0.00023974 -0.00173424 0.00030082
0.00800243 0.01815168 -0.00862676
6.41166604 12.42171498 3.54547136
-0.00032815 -0.00004163 0.00038962
-0.02689363 0.00017139 -0.00524849
24.92528035 -13.55414961 -8.79338649
0.00081545 -0.00008907 0.00023243
0.00028484 0.00763928 -0.00226824
25.55527140 -11.75838083 -11.08462314
0.00133317 0.00073975 -0.00028796
0.01720759 -0.00434764 -0.02759750
14.69628397 -3.80801561 -0.84996370
0.00000305 -0.00046986 -0.00009744
0.01678474 -0.00032690 0.00310979
17.11408484 -5.59101357 -0.78054158
0.00085213 -0.00039770 -0.00004861
0.00419755 -0.01735602 -0.00901900
11.75083816 7.88366924 11.24999231
0.00059621 0.00057011 -0.00068581
0.00430427 0.00802814 0.00222602
12.94714687 9.54753155 9.07760515
-0.00076875 -0.00009208 0.00028963
0.00335585 0.01799088 0.00100581
0.20065633 -14.19940320 16.95361611
-0.00053399 -0.00008316 0.00017980
0.01350431 -0.01152362 0.00461275
1.53706750 -11.95402576 18.06138833
0.00029236 -0.00073832 0.00018049
0.01365357 -0.01313579 0.00268967
-4.36272289 -1.88433440 -13.49564652
0.00059819 -0.00105303 0.00005678
0.00140120 -0.02829691 0.02990906
-3.16319576 -0.99810110 -15.97671004
-0.00028136 0.00119846 0.00112251
-0.00991238 0.00513708 -0.00092110
15.03554027 -8.59180772 -10.98795738
-0.00118828 0.00130372 0.00072215
-0.00302940 0.00419668 -0.00812342
15.94393018 -6.73346395 -8.77250199
0.00039374 0.00169100 -0.00011099
-0.01135136 -0.02384326 -0.01812985
7.31357866 -5.59707913 8.96969159
-0.00067535 -0.00020368 0.00071955
0.02191923 -0.01665413 0.00160861
9.35493562 -5.37494927 7.08644746
-0.00035929 0.00001830 0.00005039
0.01675716 0.00625810 -0.01991611
-20.77985172 2.33073431 20.73831785
0.00032975 0.00063840 -0.00024868
-0.01463664 -0.00734933 0.02331803
-22.01941389 0.58964659 22.94638910
0.00075404 0.00027168 0.00083373
-0.00037680 0.00275150 -0.00196831
26.42694231 -2.75560667 -5.90021727
-0.00026565 -0.00052083 -0.00020332
0.00197312 0.00562916 -0.00073394
25.42843445 -1.35330230 -8.29476964
-0.00065356 -0.00028799 0.00014324
0.00716150 -0.01333057 0.00987114
9.20676472 -15.85783649 -7.64559114
-0.00026744 -0.00075239 0.00011171
-0.00627186 0.01358752 0.00077311
8.57624107 -12.92117124 -6.95134681
0.00004237 0.00025805 -0.00062385
0.01120723 -0.01395793 -0.00365298
-5.33742916 -10.79688894 17.79983532
-0.00026027 0.00007474 0.00031116
0.00879755 0.00843171 0.01671597
-6.60623045 -10.85995550 15.23411205
-0.00153749 -0.00007393 0.00042154
0.00401573 -0.01362425 0.00978545
9.80902743 2.62329622 -29.99348041
-0.00005936 -0.00124893 0.00135007
0.01534743 -0.01272611 -0.00482392
6.90031755 2.60978084 -30.61167680
-0.00001264 0.00154637 -0.00042064
0.01538167 0.01365437 0.02039323
12.44182096 14.66143613 14.38054625
0.00039438 -0.00030658 0.00102691
-0.00311726 0.01307293 0.00690427
11.25482389 16.28732706 16.75014773
-0.00004340 -0.00021832 0.00010084
0.01829106 0.01108257 0.05624058
28.75794030 5.06933109 -4.48555359
0.00067254 -0.00023330 -0.00019266
-0.00873871 0.00790965 0.00256527
26.70953273 6.92290744 -3.10085552
0.00052545 -0.00082130 -0.00056062
0.01172112 -0.01042410 -0.01279107
-9.97879317 4.92351008 6.98129601
0.00001375 0.00004351 -0.00006291
0.00288772 -0.01441256 -0.01270727
-8.64708190 13.21017785 2.55874697
-0.00005756 0.00008497 0.00007958
0.00368432 -0.00037718 -0.00331259
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09543670
0.33840918
450.91326224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3786901832 (a.u.)
total exchange computation time: 2.8072199821 s
-154.2133731749
-931.43558780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3784124309 (a.u.)
total exchange computation time: 2.8072190285 s
-154.2167982652
Anderson extrapolation: theta=1.3573402384 (1.3573402384)
-931.43578793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3779327868 (a.u.)
total exchange computation time: 2.8051710129 s
-154.2221078949
Anderson extrapolation: theta=0.0564679087 (0.0564679087)
-931.43590815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3778232534 (a.u.)
total exchange computation time: 2.8063769341 s
-154.2229806989
Anderson extrapolation: theta=1.9719784120 (1.9719784120)
-931.43591295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3775807350 (a.u.)
total exchange computation time: 2.8068778515 s
-154.2248340921
Anderson extrapolation: theta=0.2348868325 (0.2348868325)
-931.43591805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3772631134 (a.u.)
total exchange computation time: 2.6147100925 s
-154.2250109927
Anderson extrapolation: theta=-0.9388635673 (-0.9388635673)
-931.43566590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3773064546 (a.u.)
total exchange computation time: 2.6156198978 s
-154.2246851317
Anderson extrapolation: theta=-0.6277290463 (-0.6277290463)
-931.43566578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3772864151 (a.u.)
total exchange computation time: 2.6187989712 s
-154.2248367590
Anderson extrapolation: theta=2.6729619674 (2.0000000000)
-931.43566838
-72.472661 23.145266 54.783266
559.049331 1032.464381 -412.373958
486.576670 1055.609647 -357.590693
1216.116642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3772633421 (a.u.)
total exchange computation time: 2.6159141064 s
678.98920575
-1083.74678418
89.74239302
-389.17791829
-174.86530517
78.26621230
551.60419304
0.00000000
-931.43567221
3.89647112 -30.87053252 -2.28179822
0.00006830 0.00033814 -0.00002195
-0.00488192 -0.00538466 0.01257600
-11.92564852 -2.22288010 -9.11138659
0.00034012 0.00021473 -0.00016557
0.00579786 0.00640357 0.01780488
-37.39263326 2.35738527 -0.12262242
-0.00004694 0.00022626 0.00010500
-0.01850425 0.01121919 0.00572984
-11.42429720 -3.92096841 3.87066314
-0.00041883 0.00003496 0.00002609
-0.00011959 -0.03914096 -0.01295788
4.74407623 -3.82750289 9.58653621
-0.00033619 -0.00014257 -0.00032181
-0.02305152 -0.03403861 -0.00123251
-31.96156951 -1.12942543 -0.70017303
0.00019569 0.00054837 0.00020106
0.00009978 0.01572986 -0.00258819
15.14196159 12.55066006 -14.08164373
-0.00062725 0.00016455 -0.00000630
-0.04491910 0.02264320 -0.03137166
-7.73162208 5.78108579 2.41763010
-0.00003991 0.00028965 0.00017134
0.01837338 -0.01135645 -0.01304694
7.35746000 12.50071364 -5.51848669
0.00032318 0.00024289 -0.00017866
0.00331392 -0.00237754 -0.01075245
8.97626327 9.75958882 -19.11868631
-0.00027526 0.00023717 0.00019095
0.00496116 -0.00204341 0.02172699
23.18503958 17.47759736 -2.11105658
0.00041293 -0.00045405 -0.00007268
-0.02556149 0.00127589 0.01003120
2.16734936 16.93484629 -19.06811224
0.00014725 -0.00000968 -0.00052783
0.02561791 -0.01043867 -0.01794515
14.07935924 -1.51686899 -5.29592847
0.00004653 0.00026095 -0.00000844
0.01382741 -0.00981407 -0.03278220
-16.13952260 -1.92194942 3.38118946
0.00001493 0.00025218 -0.00033839
0.03717659 0.01633494 -0.00669878
-17.04870054 -1.69825011 19.48950213
0.00025594 -0.00019715 -0.00017409
-0.02143241 0.00735480 -0.01380960
0.21841658 2.18382423 -5.21590667
0.00016951 -0.00017797 0.00020842
-0.01473849 0.01860640 0.01307607
22.25875518 -7.15710551 -8.98747022
0.00000986 0.00003532 -0.00002081
0.03163162 -0.00266765 0.01178405
-0.43213624 -6.47100986 7.24275693
-0.00001020 0.00019782 -0.00001830
-0.00508372 -0.00566656 -0.00912049
-1.94544624 -1.54395085 -19.26943881
0.00020063 0.00014694 -0.00006010
0.02688077 -0.01798135 0.02139582
3.40940477 2.30182235 -9.30270318
-0.00025909 -0.00009689 -0.00002322
0.00787301 -0.01325503 0.01257195
-3.62787458 18.11746644 12.08433480
-0.00020976 -0.00029622 0.00002196
-0.01686458 0.01527876 0.01070416
-3.62306414 4.99121037 -11.40199670
-0.00031676 0.00002747 0.00014702
0.00396845 -0.01178256 -0.06012691
-8.24702201 3.31805610 -8.91570260
0.00023578 -0.00027817 -0.00012328
0.02059847 0.02852523 -0.03521980
1.78410411 27.24931053 8.39050621
0.00050444 0.00022449 0.00014109
-0.01755273 -0.02114865 0.03656551
10.13744144 -6.17510753 -2.03341516
-0.00024559 -0.00008171 0.00009117
-0.00345027 -0.00604616 0.02202919
-8.85361509 0.48897608 5.83699573
0.00015618 0.00019392 0.00025844
0.00460927 0.01229828 -0.00550578
20.52543977 10.67227363 8.78025509
-0.00025836 0.00003355 0.00004133
-0.01342254 0.01501133 -0.01252166
-2.87182550 -2.17010686 -27.15241878
0.00046557 0.00008545 -0.00025657
-0.00681615 0.00898789 0.00374108
-14.28096646 6.02361788 7.36725773
-0.00007166 0.00018098 0.00032880
0.00470263 -0.00916964 -0.00089741
-10.00031226 7.12643690 -2.69329435
0.00026655 0.00020087 0.00013186
0.01124212 -0.00296694 -0.00157369
-1.61791148 -15.83910061 24.19583705
-0.00021727 0.00004246 -0.00054216
-0.07218031 -0.00753905 0.00881011
-2.56514741 6.42055637 -6.47798496
0.00002010 -0.00021553 0.00009735
-0.03960763 0.01581573 -0.00447924
-20.49705004 31.10902355 4.63543832
0.00053194 0.00003492 -0.00004904
-0.00702017 0.01200605 0.00015540
7.57030759 -0.00904308 8.15386098
-0.00005528 0.00008170 -0.00031508
0.00092556 0.00765730 -0.00070516
5.43651119 11.23385676 -13.93888447
0.00011296 0.00020646 -0.00017864
0.03339659 -0.01707608 0.05462240
15.94098617 3.27938564 -1.95316798
-0.00036105 -0.00049286 -0.00007837
0.01180279 0.02639101 0.01163391
-4.03243821 13.62381613 -1.33103099
-0.00023021 0.00006417 0.00034694
-0.00841289 -0.01288557 0.01808187
4.56435969 12.82834859 3.32959400
0.00005579 -0.00013850 -0.00009197
0.02063831 -0.03824042 0.00242517
24.80996246 -11.84881547 -9.45934815
-0.00005727 0.00012088 0.00000405
-0.01052379 0.00039092 0.01757990
16.44520731 -3.98091480 -0.32596706
-0.00027693 0.00014293 -0.00015999
-0.00246000 0.02467609 0.00609259
12.89049463 7.89552519 9.80332281
0.00009620 -0.00010986 0.00024348
0.00396353 -0.01347739 0.00247196
1.84788657 -13.75505243 17.71749764
-0.00038412 -0.00009462 -0.00006745
-0.02520020 0.01774226 -0.00505610
-4.43198007 -0.57544230 -14.67718265
0.00003482 -0.00016751 0.00009417
0.01243104 0.02228730 -0.01237975
14.91359809 -8.27988902 -9.17162034
0.00014088 0.00019960 0.00018711
0.02347163 0.02382372 0.02880860
8.97683632 -6.45665706 8.47337030
-0.00029217 -0.00043533 0.00019197
-0.04117253 0.00842034 0.02059642
-21.34800718 2.25087914 22.53878665
-0.00007848 -0.00010258 0.00017126
0.01436995 0.00840918 -0.02275011
25.86325242 -3.04904119 -7.63340613
-0.00000230 -0.00022385 -0.00043088
-0.01202002 0.00915896 -0.00713135
9.85857136 -14.10120495 -7.60961226
-0.00010409 -0.00006111 -0.00014751
-0.00391583 0.00302211 -0.00439187
-6.13109383 -11.98194679 16.68595312
-0.00047195 -0.00053320 0.00011277
-0.00905881 0.00812178 -0.01973384
8.26258883 3.42813669 -29.55548221
-0.00014481 0.00009825 0.00017265
-0.02962289 -0.00924845 -0.01340177
11.03924373 15.72250312 15.12491239
-0.00024601 -0.00019531 0.00001859
-0.02002715 -0.03447309 -0.05240528
28.40931418 6.12163857 -3.01271886
0.00022252 -0.00020223 -0.00001590
-0.00194955 0.00482777 0.00184966
5.26862305 -31.48520294 -3.34556493
-0.00018293 0.00042466 0.00005358
0.00470895 0.00164233 -0.00359005
4.28440427 -31.40581000 -0.56837809
-0.00075540 -0.00065818 -0.00048836
-0.00383711 0.00089748 0.00013114
-11.84141576 -4.00608381 -8.58459228
0.00066785 -0.00008112 0.00081710
-0.00154711 0.00298600 -0.00186862
-12.47426734 -2.28805711 -10.80280153
-0.00046427 0.00047697 0.00016686
-0.00595634 0.00193031 -0.02247072
-38.69191995 2.06951514 1.18972657
-0.00109889 0.00023705 -0.00004243
0.01627743 0.00279470 -0.01420585
-37.81847980 4.04228823 -0.99876206
0.00001252 0.00063574 -0.00014640
0.00493241 -0.02160843 0.01196148
-10.82730635 -5.65227070 3.33949076
0.00039368 -0.00084429 -0.00028683
-0.00588672 0.01938598 0.01302726
-9.91028739 -2.95495450 3.68966416
-0.00019101 -0.00011005 -0.00040619
0.00889395 0.01564675 0.00209275
5.56570018 -2.28835187 9.26508848
-0.00037388 0.00006715 -0.00105669
0.01914900 0.03287375 -0.01051952
4.19104323 -3.64399678 11.30640500
0.00057161 0.00092758 0.00006689
0.00201580 -0.00809798 0.01019896
-33.39470123 -2.22119215 -0.62555527
0.00043768 0.00008618 -0.00065728
-0.01276619 -0.00189703 0.00271672
-32.54641792 0.55924854 -0.33353679
0.00070339 -0.00048646 0.00056070
-0.00685385 -0.00218898 0.00750398
14.94320188 13.14236971 -15.89901343
0.00030362 -0.00102979 0.00102305
-0.00778060 -0.00641428 0.02683966
16.80582421 12.03944668 -14.05841391
0.00013386 -0.00000939 0.00069478
0.05046008 -0.02178706 0.00529891
-8.28335240 7.15438784 1.31395215
-0.00068700 0.00033826 -0.00021393
0.00413606 -0.01184967 0.00396984
-6.90248148 4.50010632 1.23403908
0.00004434 -0.00078416 -0.00037973
-0.02156885 0.02305577 0.01541856
6.15620374 12.65879992 -6.86721244
0.00025980 -0.00044342 0.00066260
-0.01107192 -0.00513796 -0.00531627
8.64700557 13.70334971 -6.10694354
-0.00008168 -0.00064608 -0.00043190
0.01181226 0.00329425 -0.00019623
8.97721346 9.13731758 -20.80176053
-0.00006883 -0.00028891 0.00021927
0.00139719 -0.00723060 -0.01611929
10.76891950 10.02764345 -18.71026757
0.00062794 0.00035074 -0.00088270
-0.01171496 0.00820194 -0.00726473
24.36911894 16.13119391 -2.48690394
-0.00100584 -0.00054074 -0.00039922
0.00585072 -0.00639784 -0.00287830
24.09536602 19.02563392 -2.15615272
0.00082190 -0.00041914 -0.00030473
0.01864037 0.01088118 -0.00460883
2.11399824 17.52031910 -20.82799980
-0.00046496 -0.00085053 0.00054595
-0.01263158 -0.00342839 0.00501264
3.39445601 15.42281680 -19.19529668
-0.00072117 -0.00111258 -0.00014916
-0.02412192 0.01344174 0.01167915
13.25559447 -2.19516773 -6.83103502
-0.00096900 0.00138027 -0.00016673
-0.00069919 0.01711808 0.01580538
12.87093934 -0.88899519 -4.11779886
0.00006103 -0.00031063 0.00023273
-0.01407056 -0.00484859 0.00521490
-17.34064632 -3.21283498 3.57791673
-0.00068769 0.00063674 -0.00006425
-0.03224558 -0.01872388 0.00713326
-14.61673002 -2.87684038 2.88841049
0.00112506 0.00071119 0.00037050
-0.00334487 0.01513443 0.01045073
-16.51775333 -0.03357325 20.07637354
0.00033145 0.00014817 -0.00103335
0.00565940 0.00815843 0.00772568
-15.65465963 -2.75114915 19.79701437
-0.00055835 -0.00044898 -0.00122353
0.02035246 -0.01634569 0.00643020
-0.85426607 0.74213870 -4.89173563
0.00047650 -0.00038879 -0.00044328
-0.00400651 -0.01709307 -0.00545514
-1.03846644 3.52402950 -4.79419539
0.00035386 0.00029253 0.00046639
0.01771132 -0.00275997 -0.01352583
23.18005615 -8.76503803 -9.15981371
0.00154641 -0.00005882 -0.00023784
-0.01087254 0.00501576 0.00124730
23.56320916 -6.03889674 -8.23230448
0.00099073 -0.00034786 -0.00024725
-0.01608422 -0.00260488 -0.00725913
0.67136260 -5.87611155 5.86084468
-0.00040690 -0.00058927 -0.00045190
-0.00689917 -0.00276886 0.01127130
-0.40870645 -5.26157574 8.58514315
-0.00047285 0.00007925 0.00008246
0.00612977 0.00401587 0.00365946
-0.97008947 -3.08444926 -18.67247995
0.00038283 0.00023750 0.00051483
-0.02569604 0.02691606 -0.02081003
-3.47508704 -2.03803693 -20.14399159
0.00003994 0.00049277 -0.00084736
-0.00144520 -0.01396421 -0.00384618
3.00422774 2.92910244 -10.95587405
0.00027779 -0.00162053 0.00030086
-0.01173511 0.00551984 -0.00526338
1.95749319 2.24398971 -8.12536404
-0.00011119 0.00020062 -0.00039036
0.00363673 0.01038275 -0.00577814
-2.37242997 16.83862432 12.52164471
0.00044226 -0.00035252 0.00094326
0.00478733 -0.00059377 0.00146477
-3.77067318 19.19012059 13.60955881
0.00043292 0.00092130 0.00041563
0.00780164 -0.01185005 -0.01137666
-4.02205650 6.20922104 -12.83290912
-0.00063063 -0.00021751 0.00173910
0.00663986 -0.02158033 0.03375670
-3.13445580 3.37529379 -12.32431736
0.00066890 0.00094773 0.00115110
-0.01546644 0.02790822 0.01895344
-7.62978499 2.29700065 -7.57365482
-0.00038346 0.00022729 0.00029007
0.01111126 -0.01089345 0.00794665
-6.74390697 4.08928242 -9.87234470
0.00101077 -0.00047399 0.00051797
-0.03396057 -0.02168623 0.02777935
1.86745555 28.18620936 6.87682348
0.00029131 -0.00000317 -0.00037577
0.00335820 0.01909767 -0.02139165
0.07711903 27.50236528 9.06708556
0.00003004 -0.00011410 0.00038544
0.01741507 0.00205952 -0.00765333
10.99969254 -6.57930016 -0.42923253
-0.00068910 -0.00037183 -0.00037459
0.00044494 -0.00073945 -0.01269650
8.92595228 -7.55355567 -2.14074669
-0.00030025 0.00024488 -0.00085344
0.00304404 0.00660313 -0.00346766
-7.12218123 0.05281890 6.47315000
0.00035997 0.00078330 -0.00076625
-0.01299411 -0.00205091 0.00060486
-10.10157164 -0.24730922 6.91851290
0.00135590 -0.00061231 -0.00065300
-0.00170091 -0.00617494 0.00575289
21.32703128 10.45429626 10.37325964
0.00090695 0.00021214 -0.00034960
0.00948615 -0.00876051 0.01583364
20.54680340 12.52039741 8.62384589
0.00044405 -0.00079626 0.00040706
0.00681259 -0.00257423 -0.00822370
-1.75327704 -2.96058282 -25.96863626
0.00069426 -0.00053021 0.00047203
0.01493670 -0.01585121 0.00111377
-4.44856428 -2.29069238 -26.22318307
-0.00074793 -0.00021939 0.00018154
-0.00487785 0.00363091 -0.00625963
-14.59236811 7.09075523 8.80838089
0.00077077 -0.00025736 0.00084036
-0.00391160 0.00506211 -0.00680964
-14.29994256 7.10019363 5.88393794
-0.00091704 -0.00000106 -0.00008031
-0.00619783 0.00579355 0.00326806
-11.19625617 6.74626620 -3.99937924
-0.00005960 -0.00067491 0.00049267
-0.01542419 -0.00243965 -0.00127291
-8.86594895 8.09972470 -3.74461243
0.00072273 0.00038018 0.00008585
0.01103559 0.01120262 0.00219495
-1.21195073 -17.52124154 23.52824499
-0.00005360 0.00052870 0.00005309
0.01151767 0.00129296 -0.00155289
-3.57628022 -15.96952396 24.50050652
0.00030448 0.00056112 -0.00004067
0.05918381 0.01040411 -0.00700950
-3.30694353 5.63773511 -8.01303556
0.00004294 -0.00028376 0.00004528
0.01742167 0.00998883 0.01423742
-3.94398494 7.69632981 -6.01758715
0.00029130 0.00049481 -0.00028335
0.02175933 -0.01765684 -0.00535264
-21.68723882 30.10853431 3.59521639
0.00060377 0.00054424 -0.00179683
0.00069405 -0.00444403 -0.00952472
-21.68798569 32.26621753 5.43910135
0.00126156 0.00016901 -0.00098144
0.00538597 -0.00608623 0.00939339
6.89747566 -0.25512569 6.44818232
0.00045006 -0.00048299 0.00046496
0.00243345 -0.00341541 -0.00446590
6.95144360 1.62233814 8.68070553
0.00088814 0.00034084 0.00060140
0.00195457 0.00217306 -0.00371753
6.69326189 12.42685763 -13.25272905
-0.00017214 0.00079457 -0.00004667
-0.00775300 -0.00603077 -0.01253257
4.60275172 12.13581392 -15.18002744
0.00012899 -0.00065127 0.00103616
-0.02005493 0.02578776 -0.03089065
14.59465273 4.43031523 -2.47608884
-0.00041795 -0.00057320 -0.00110683
-0.00333242 -0.00613186 -0.00333982
15.47028747 1.58357520 -2.20720486
-0.00042395 0.00006080 0.00073990
-0.00863428 -0.01958627 -0.00695227
-2.47384412 13.40634646 -0.42135072
0.00006896 0.00019362 0.00010464
0.01008844 0.00170549 -0.00687173
-5.23392992 13.24855228 0.06048417
-0.00053170 -0.00046448 0.00069953
-0.00344727 -0.00140798 -0.01193123
3.61644285 11.13154909 3.67450991
-0.00020237 -0.00164951 0.00026384
0.01029194 0.02332297 -0.00947252
6.40591964 12.42109578 3.55115483
-0.00043338 -0.00004061 0.00036804
-0.02461468 0.00032641 -0.00531404
24.93752087 -13.55525151 -8.78996956
0.00081610 -0.00005348 0.00022124
0.00002975 0.00978267 -0.00320853
25.57579624 -11.74741777 -11.08978815
0.00139720 0.00072079 -0.00038668
0.01413616 -0.00493608 -0.02072833
14.69684398 -3.81507355 -0.85133004
0.00006650 -0.00047136 -0.00008641
0.01427705 -0.00040871 0.00229066
17.12699544 -5.59751098 -0.78154715
0.00086330 -0.00045620 -0.00008194
0.00127010 -0.01127789 -0.00729559
11.75991317 7.89246684 11.23977342
0.00060429 0.00060046 -0.00066383
-0.00034764 0.00683203 0.00853207
12.93571838 9.54670160 9.08198044
-0.00075385 -0.00001907 0.00029218
0.00393979 0.01774933 0.00024350
0.19306027 -14.20100377 16.95645453
-0.00047853 -0.00012963 0.00019839
0.01364460 -0.01122293 0.00448263
1.54187122 -11.96550308 18.06417814
0.00034586 -0.00078237 0.00019282
0.01253502 -0.00842615 0.00334556
-4.35370715 -1.90099702 -13.49387830
0.00060298 -0.00115831 0.00016963
0.00094499 -0.02323636 0.02532901
-3.16771997 -0.97996675 -15.95990069
-0.00031043 0.00121523 0.00110716
-0.00431674 0.00306889 -0.00659266
15.01762318 -8.57212325 -10.97737411
-0.00119975 0.00131843 0.00067869
-0.00258390 0.00300146 -0.01314960
15.94948846 -6.70882956 -8.77472236
0.00034079 0.00158268 -0.00018745
-0.01457029 -0.02918170 -0.01930133
7.30412013 -5.60064469 8.98053412
-0.00058156 -0.00027301 0.00072383
0.02398857 -0.01728465 0.00048753
9.35005980 -5.37448304 7.08659295
-0.00029298 0.00003974 -0.00002546
0.01570255 0.00423968 -0.01720862
-20.77535391 2.34008515 20.73530216
0.00026746 0.00060583 -0.00014720
-0.01585918 -0.00859342 0.02635735
-22.00811477 0.59380613 22.95883473
0.00074985 0.00027557 0.00082569
-0.00167402 -0.00084764 -0.00196723
26.42301809 -2.76324661 -5.90328957
-0.00025782 -0.00049784 -0.00020740
0.00185967 0.00562504 -0.00126303
25.41885044 -1.35803069 -8.29231850
-0.00062461 -0.00034080 0.00018287
0.00701023 -0.01251969 0.00952416
9.20256086 -15.86870595 -7.64389175
-0.00029024 -0.00068939 0.00011482
-0.00488773 0.01725064 0.00074530
8.57722008 -12.91772814 -6.96081654
0.00008722 0.00020099 -0.00063784
0.01074613 -0.01397351 -0.00319200
-5.34106360 -10.79550942 17.80501499
-0.00022890 0.00010219 0.00037276
0.00655781 0.00500121 0.01343627
-6.62916977 -10.86148189 15.24073504
-0.00151913 -0.00013178 0.00046343
0.00497271 -0.01469391 0.01071760
9.80860732 2.60417233 -29.97337718
-0.00000402 -0.00129780 0.00133163
0.01174323 -0.01119581 -0.00420428
6.90059927 2.63339484 -30.61736155
0.00004715 0.00159837 -0.00033964
0.01388785 0.01180008 0.01926003
12.44764106 14.65723809 14.39616145
0.00037993 -0.00025208 0.00105347
-0.00395156 0.01360489 0.00609596
11.25473339 16.28439189 16.75338367
0.00002972 -0.00017394 0.00032698
0.01750385 0.01064104 0.05445633
28.76776068 5.06607398 -4.48836494
0.00063667 -0.00019965 -0.00017950
-0.00882421 0.00856083 0.00387796
26.71777370 6.91026848 -3.10965678
0.00056727 -0.00086039 -0.00061228
0.00874883 -0.00870753 -0.01249457
-9.97857916 4.92412402 6.98031824
0.00001477 0.00003836 -0.00006747
0.00280918 -0.01437865 -0.01275983
-8.64793886 13.21145170 2.55993496
-0.00005672 0.00008487 0.00007877
0.00355417 -0.00044079 -0.00368869
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09542191
0.34025030
453.36646271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1322877231
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3769842806 (a.u.)
total exchange computation time: 2.6735010147 s
-154.2014504973
-931.43615528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1322877231
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3766970016 (a.u.)
total exchange computation time: 2.6698880196 s
-154.2050191611
Anderson extrapolation: theta=1.3625815956 (1.3625815956)
-931.43635320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1322877231
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3762013757 (a.u.)
total exchange computation time: 2.6696269512 s
-154.2105775571
Anderson extrapolation: theta=0.0620001334 (0.0620001334)
-931.43647436
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1322877231
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3760887012 (a.u.)
total exchange computation time: 2.6713769436 s
-154.2115001335
Anderson extrapolation: theta=2.1103635653 (2.0000000000)
-931.43648008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3751618974 (a.u.)
total exchange computation time: 2.6264729500 s
-154.2127584409
Anderson extrapolation: theta=-0.8538254213 (-0.8538254213)
-931.43580827
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3753195029 (a.u.)
total exchange computation time: 2.6295878887 s
-154.2114999901
Anderson extrapolation: theta=-0.9746482921 (-0.9746482921)
-931.43580592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3751880480 (a.u.)
total exchange computation time: 2.6294300556 s
-154.2125979780
Anderson extrapolation: theta=1.8025786767 (1.8025786767)
-931.43581515
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3750195936 (a.u.)
total exchange computation time: 2.6258049011 s
-154.2139942872
Anderson extrapolation: theta=0.2939666058 (0.2939666058)
-931.43582452
-72.430427 23.076706 54.842303
559.086117 1032.436574 -412.357547
486.655690 1055.513279 -357.515244
1216.042431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3750369047 (a.u.)
total exchange computation time: 2.6254777908 s
678.96605806
-1083.68743316
89.73699590
-389.21501879
-174.86139230
78.23564712
551.60419304
0.00000000
-931.43582720
3.89747684 -30.86548120 -2.28207897
0.00006542 0.00033548 -0.00001586
-0.00632207 -0.00496426 0.01112143
-11.92052434 -2.21963448 -9.11380143
0.00034329 0.00021743 -0.00015576
0.00653600 0.00408793 0.02031814
-37.39340869 2.36082248 -0.12102529
-0.00005737 0.00023238 0.00010838
-0.02204913 0.01256570 0.00740387
-11.43058014 -3.92059500 3.87100450
-0.00041799 0.00001357 0.00001894
0.00339229 -0.04402202 -0.01483770
4.73894450 -3.82977270 9.58170428
-0.00034787 -0.00015940 -0.00032210
-0.02236964 -0.03140697 0.00009734
-31.95863377 -1.12113914 -0.69716717
0.00019635 0.00055442 0.00019922
0.00247550 0.00778415 -0.00455972
15.13237955 12.55321564 -14.08185930
-0.00064798 0.00017493 -0.00002084
-0.03566866 0.01773469 -0.02513956
-7.73214983 5.78538676 2.42014991
-0.00003011 0.00028341 0.00016345
0.01971903 -0.01289674 -0.01766070
7.36232049 12.50434774 -5.52120807
0.00032479 0.00024070 -0.00018286
0.00296269 -0.00610218 -0.00556778
8.97215344 9.76313848 -19.11573822
-0.00027146 0.00023601 0.00020187
0.00982281 -0.00244901 0.02073680
23.19113496 17.47079150 -2.11210816
0.00039879 -0.00045176 -0.00006728
-0.02944742 0.00765419 0.01097486
2.16965695 16.93466088 -19.07609896
0.00016058 -0.00001612 -0.00053500
0.02619569 -0.01462421 -0.00990860
14.08011052 -1.51299259 -5.29618159
0.00005331 0.00025582 -0.00002572
0.01255415 -0.01014019 -0.03440154
-16.13915520 -1.91810364 3.37608775
0.00003438 0.00026022 -0.00034178
0.03844983 0.01492082 -0.00646756
-17.04494406 -1.70117896 19.48683755
0.00024351 -0.00019230 -0.00018161
-0.02691528 0.01149959 -0.01544140
0.22090235 2.18122641 -5.21272986
0.00016194 -0.00016778 0.00021517
-0.01468989 0.02104461 0.01316235
22.25902505 -7.15658608 -8.98773691
0.00002773 0.00003298 -0.00001454
0.03787582 -0.00639378 0.01260486
-0.43230889 -6.46806441 7.24244731
-0.00001308 0.00019453 -0.00002291
-0.00611414 -0.00712472 -0.00881012
-1.94233311 -1.54181609 -19.27025779
0.00021406 0.00013746 -0.00004936
0.02536183 -0.01888701 0.02036714
3.40554874 2.30031795 -9.30300297
-0.00025411 -0.00010434 -0.00001533
0.01150647 -0.01573455 0.01811612
-3.63108603 18.11308207 12.08470543
-0.00021780 -0.00028822 0.00002908
-0.01439150 0.01581592 0.01698315
-3.62780027 4.99157696 -11.40002329
-0.00031461 0.00002142 0.00011825
0.00441837 -0.01172014 -0.05177880
-8.24340588 3.31399364 -8.91768770
0.00024662 -0.00026319 -0.00014179
0.02156916 0.02971487 -0.03674983
1.79160304 27.25259624 8.39276358
0.00049476 0.00021401 0.00015967
-0.02011815 -0.01957081 0.03568295
10.13374430 -6.17635648 -2.03196266
-0.00024759 -0.00008438 0.00010170
-0.00434303 -0.00435112 0.01893877
-8.85125456 0.49193234 5.84085115
0.00015974 0.00020141 0.00025405
0.00920621 0.01681012 -0.01159270
20.52151256 10.67283483 8.78082680
-0.00026505 0.00003992 0.00003548
-0.01256493 0.00973181 -0.01022534
-2.86486823 -2.16879043 -27.15625283
0.00046113 0.00008918 -0.00025240
-0.01046191 0.00552876 0.01245129
-14.28202328 6.02629722 7.37218632
-0.00006921 0.00017628 0.00032799
0.00482823 -0.00911920 -0.00227434
-9.99627064 7.12943854 -2.69132252
0.00027264 0.00019954 0.00013057
0.01245259 -0.00221782 -0.00345979
-1.62144902 -15.83849283 24.18773857
-0.00025412 0.00003978 -0.00053716
-0.07111308 -0.00286877 0.01066104
-2.56499872 6.41738444 -6.47654204
-0.00000055 -0.00020713 0.00009503
-0.04066801 0.01682708 -0.00453505
-20.48909808 31.10959366 4.63470331
0.00052876 0.00003974 -0.00005039
-0.00532042 0.00674543 -0.00540652
7.56948202 -0.00778809 8.14913211
-0.00005421 0.00008593 -0.00031366
0.00321401 0.00880423 0.00621723
5.43833445 11.23688775 -13.94135340
0.00013208 0.00019620 -0.00014776
0.04095450 -0.02279292 0.06547499
15.93561588 3.27209447 -1.95429860
-0.00035501 -0.00047754 -0.00007232
0.01169785 0.03318628 0.01186992
-4.03592388 13.62472897 -1.32575718
-0.00023488 0.00005731 0.00035693
-0.00972879 -0.01379238 0.02078435
4.56527612 12.82612351 3.32822381
0.00006511 -0.00015947 -0.00009053
0.01561467 -0.04328387 0.00316800
24.80906289 -11.84700070 -9.45921961
-0.00006177 0.00012081 0.00001143
-0.00699901 -0.00069648 0.01110703
16.44104388 -3.97867562 -0.32834347
-0.00027664 0.00015415 -0.00015707
0.00357129 0.01893831 0.00527613
12.89195291 7.89382531 9.80698461
0.00009937 -0.00011640 0.00024323
0.00835805 -0.01196899 -0.00347493
1.84202761 -13.75640330 17.71646639
-0.00039679 -0.00008684 -0.00007023
-0.02409389 0.01252261 -0.00576718
-4.43140985 -0.57786893 -14.67581781
0.00003989 -0.00015692 0.00009066
0.00728672 0.01886908 -0.00129393
14.91580181 -8.27680320 -9.16870258
0.00015375 0.00021336 0.00020353
0.02659647 0.02971364 0.03506722
8.97229499 -6.46315458 8.47632929
-0.00031368 -0.00043023 0.00020209
-0.04247397 0.01144335 0.01877461
-21.34912891 2.24937283 22.54126775
-0.00007045 -0.00009699 0.00015883
0.01684150 0.01333312 -0.02558404
25.86317156 -3.05236365 -7.63989685
-0.00000842 -0.00021936 -0.00043424
-0.01178599 0.00829994 -0.00595048
9.85699497 -14.10211002 -7.61184188
-0.00010623 -0.00006047 -0.00014994
-0.00442126 -0.00049679 -0.00503649
-6.13820810 -11.98991351 16.68756850
-0.00047620 -0.00052780 0.00010324
-0.00746613 0.01287325 -0.01729666
8.26030239 3.42957476 -29.55294412
-0.00015867 0.00009344 0.00016591
-0.02426170 -0.00944065 -0.01280737
11.03547632 15.71944049 15.12498915
-0.00025594 -0.00021282 -0.00000740
-0.01859604 -0.03363015 -0.04866378
28.41264448 6.11862373 -3.01295023
0.00022232 -0.00020023 -0.00001535
0.00115689 0.00295999 0.00028563
5.26602333 -31.47878265 -3.34487131
-0.00016163 0.00043019 0.00003782
0.00571804 0.00106091 -0.00412108
4.27295572 -31.41565524 -0.57569947
-0.00076948 -0.00065549 -0.00048327
-0.00305731 0.00042142 0.00236272
-11.83144545 -4.00720914 -8.57239311
0.00066065 -0.00006309 0.00080545
-0.00197469 0.00583888 -0.00383042
-12.48141384 -2.28084348 -10.80098719
-0.00048880 0.00048342 0.00007497
-0.00605541 0.00123130 -0.02251099
-38.70790446 2.07315647 1.18865483
-0.00102661 0.00024914 -0.00010564
0.01910451 0.00312469 -0.01673650
-37.81814085 4.05116219 -1.00059148
0.00003344 0.00054386 -0.00009582
0.00530557 -0.02336590 0.01279779
-10.82158158 -5.66434105 3.33558744
0.00036548 -0.00075541 -0.00023049
-0.00791758 0.02412527 0.01455416
-9.91287996 -2.95612578 3.68363543
-0.00015731 -0.00004752 -0.00039737
0.00760039 0.01496123 0.00222370
5.56067883 -2.28633734 9.24891579
-0.00029842 0.00019550 -0.00109937
0.01778767 0.02995616 -0.01037128
4.19967917 -3.63033124 11.30772091
0.00058053 0.00089349 0.00010577
0.00235132 -0.00858754 0.00883273
-33.38852721 -2.21995757 -0.63533122
0.00038628 0.00007981 -0.00064600
-0.01239423 -0.00122241 0.00280476
-32.53607708 0.55188456 -0.32489630
0.00066921 -0.00048011 0.00059491
-0.00987634 0.00529763 0.00924175
14.94751781 13.12672625 -15.88284529
0.00026960 -0.00105048 0.00112013
-0.00887594 -0.00371154 0.02068504
16.80937833 12.03863820 -14.04782983
0.00032228 -0.00009295 0.00071764
0.04177430 -0.01911413 0.00589145
-8.29353061 7.15909864 1.31086486
-0.00066768 0.00028451 -0.00019453
0.00531779 -0.01446272 0.00552826
-6.90247731 4.48905041 1.22881563
-0.00004803 -0.00068214 -0.00031166
-0.02364541 0.02688575 0.01790033
6.15976143 12.65199111 -6.85743632
0.00020789 -0.00046341 0.00063329
-0.01433831 -0.00464564 -0.00903291
8.64614235 13.69375943 -6.11342803
-0.00002685 -0.00062601 -0.00043576
0.01502586 0.00653175 -0.00169458
8.97622384 9.13276234 -20.79896546
-0.00006464 -0.00031752 0.00015607
0.00065575 -0.00677390 -0.01481781
10.77797963 10.03315584 -18.72373066
0.00057196 0.00038364 -0.00091223
-0.01568722 0.00790600 -0.00719188
24.35421056 16.12288673 -2.49298050
-0.00097430 -0.00057404 -0.00041314
0.00959251 -0.00990154 -0.00393226
24.10826570 19.01968025 -2.16086494
0.00089627 -0.00037932 -0.00032316
0.01776292 0.00861103 -0.00440978
2.10663676 17.50745602 -20.81965691
-0.00051623 -0.00085896 0.00054964
-0.01246706 -0.00069782 -0.00320909
3.38289925 15.40654001 -19.19717617
-0.00081876 -0.00105541 -0.00010197
-0.02364902 0.01454167 0.01141810
13.24103797 -2.17393918 -6.83305160
-0.00096951 0.00144973 -0.00010172
0.00045127 0.01688572 0.01601569
12.87142368 -0.89380328 -4.11414807
0.00000428 -0.00032950 0.00025560
-0.01370818 -0.00438529 0.00597925
-17.35194983 -3.20385756 3.57717164
-0.00081326 0.00056250 -0.00003698
-0.02921752 -0.01761872 0.00621301
-14.59995663 -2.86570875 2.89428818
0.00110402 0.00077349 0.00041463
-0.00695357 0.01535964 0.01115160
-16.51260819 -0.03110074 20.06111005
0.00035517 0.00017919 -0.00100125
0.00595261 0.00702592 0.00798465
-15.66241120 -2.75838467 19.77885843
-0.00046560 -0.00052174 -0.00119470
0.02504947 -0.01927133 0.00768329
-0.84724134 0.73578308 -4.89855193
0.00045812 -0.00045872 -0.00046457
-0.00499050 -0.01713939 -0.00496725
-1.03261583 3.52833290 -4.78761394
0.00042727 0.00027737 0.00041053
0.01822584 -0.00466281 -0.01381969
23.20291907 -8.76576662 -9.16334314
0.00149423 -0.00003103 -0.00023245
-0.01466566 0.00858823 0.00139359
23.57757721 -6.04419448 -8.23623569
0.00092065 -0.00035840 -0.00027825
-0.01821794 -0.00255504 -0.00791547
0.66504770 -5.88503538 5.85441151
-0.00043378 -0.00059821 -0.00040606
-0.00625848 -0.00161158 0.01117164
-0.41561134 -5.26026386 8.58649221
-0.00044674 0.00009616 0.00009608
0.00665217 0.00426051 0.00300852
-0.96513436 -3.08006195 -18.66539519
0.00027608 0.00034805 0.00042856
-0.02655918 0.02719886 -0.02141709
-3.47453220 -2.03107336 -20.15681981
0.00004004 0.00043639 -0.00085916
0.00149348 -0.01363328 -0.00193078
3.00803493 2.90496362 -10.95152245
0.00022627 -0.00159281 0.00026570
-0.01347985 0.00804771 -0.01194641
1.95593684 2.24731722 -8.13139652
-0.00009972 0.00024263 -0.00041096
0.00197588 0.01018135 -0.00430584
-2.36564941 16.83331833 12.53583854
0.00045565 -0.00034890 0.00094616
0.00176907 0.00236573 -0.00004845
-3.76394028 19.20357700 13.61544458
0.00046503 0.00086588 0.00035988
0.00791605 -0.01527920 -0.01591247
-4.03131247 6.20529710 -12.80578828
-0.00060606 -0.00029711 0.00186463
0.00538611 -0.01738274 0.02769371
-3.12489623 3.39036494 -12.30647013
0.00060747 0.00105268 0.00122185
-0.01460356 0.02346767 0.01568018
-7.63519648 2.30007616 -7.56906019
-0.00033733 0.00018115 0.00032489
0.01147015 -0.01168918 0.00909669
-6.72978610 4.08150802 -9.86372387
0.00087009 -0.00056269 0.00063108
-0.03490335 -0.02173101 0.02758970
1.87192808 28.18674702 6.87053135
0.00030370 0.00007118 -0.00045726
0.00270762 0.01729687 -0.01849691
0.07810332 27.50071688 9.07263264
0.00010713 -0.00010578 0.00035115
0.02032159 0.00201243 -0.00913070
10.98936965 -6.58490024 -0.43524043
-0.00068420 -0.00037644 -0.00042000
0.00195495 -0.00151876 -0.00953342
8.92154180 -7.54968016 -2.15365456
-0.00028929 0.00027011 -0.00086719
0.00232226 0.00574671 -0.00326275
-7.11717985 0.06450553 6.46167480
0.00030897 0.00077334 -0.00076193
-0.01196864 -0.00282367 0.00151095
-10.08128529 -0.25668306 6.90889416
0.00133737 -0.00064488 -0.00061896
-0.00736643 -0.00976752 0.01091298
21.34092617 10.45720995 10.36850083
0.00094436 0.00017526 -0.00028744
0.00882550 -0.00929351 0.01459455
20.55367298 12.50837462 8.62969979
0.00047080 -0.00079437 0.00037114
0.00627745 0.00349807 -0.00935804
-1.74240538 -2.96902166 -25.96152165
0.00074599 -0.00058875 0.00046759
0.01038234 -0.01280814 -0.00328656
-4.45993264 -2.29387197 -26.22065175
-0.00075115 -0.00020345 0.00014725
0.00329915 0.00417148 -0.01052481
-14.58092648 7.08704993 8.82077757
0.00075469 -0.00023594 0.00081137
-0.00395881 0.00542265 -0.00737896
-14.31388806 7.10035525 5.88283348
-0.00094191 0.00002135 -0.00006288
-0.00597544 0.00517848 0.00526265
-11.19762286 6.73606784 -3.99202824
-0.00011916 -0.00068268 0.00048883
-0.01372891 -0.00136510 -0.00060614
-8.85476983 8.10577072 -3.74325744
0.00076224 0.00042207 0.00009705
0.00830293 0.00930300 0.00328889
-1.21240177 -17.51327138 23.52899382
-0.00000546 0.00052598 0.00004376
0.01204594 -0.00262424 -0.00301871
-3.56989943 -15.96078834 24.49968166
0.00054140 0.00060238 -0.00006938
0.05678788 0.00979462 -0.00704214
-3.30576560 5.63378477 -8.01192010
0.00011411 -0.00024255 0.00010379
0.01741721 0.01018255 0.01440504
-3.93894860 7.70321095 -6.02200145
0.00038048 0.00042105 -0.00030552
0.02189066 -0.01845113 -0.00549860
-21.67816099 30.11656177 3.56797203
0.00061050 0.00052985 -0.00183000
0.00259966 -0.00259902 -0.00671280
-21.66889721 32.26856622 5.42466754
0.00127499 0.00015097 -0.00093790
0.00118843 -0.00274608 0.01192418
6.90430116 -0.26247517 6.45501980
0.00045481 -0.00049576 0.00043572
-0.00011142 -0.00283455 -0.00984433
6.96482565 1.62751732 8.68961265
0.00089622 0.00034650 0.00058269
0.00199717 0.00059575 -0.00544401
6.69044228 12.43859131 -13.25381311
-0.00020481 0.00076801 -0.00009909
-0.00824319 -0.00696634 -0.01313007
4.60407199 12.12683503 -15.16543163
0.00003371 -0.00053278 0.00089125
-0.02658302 0.03221713 -0.04004227
14.58828130 4.42152937 -2.49279369
-0.00042827 -0.00059984 -0.00111821
-0.00171627 -0.00691198 -0.00222909
15.46366372 1.58388697 -2.19631946
-0.00046181 -0.00003033 0.00071016
-0.00989869 -0.02502251 -0.00760563
-2.47250062 13.40930295 -0.41999173
0.00010783 0.00020070 0.00007604
0.00894174 0.00176131 -0.00712708
-5.24201109 13.24154188 0.07061153
-0.00054124 -0.00046858 0.00064651
-0.00122196 -0.00059947 -0.01402162
3.61372267 11.10752105 3.67817728
-0.00015651 -0.00154537 0.00022372
0.01215598 0.02765850 -0.01016523
6.39866471 12.42049659 3.55651263
-0.00052809 -0.00003932 0.00034640
-0.02174929 0.00030648 -0.00528232
24.94976323 -13.55575387 -8.78674927
0.00081565 -0.00000970 0.00020651
-0.00024678 0.01164652 -0.00400241
25.59718743 -11.73675723 -11.09622353
0.00144806 0.00069930 -0.00045666
0.01075805 -0.00558048 -0.01352556
14.69827898 -3.82215653 -0.85255600
0.00011881 -0.00047309 -0.00007897
0.01132807 -0.00043599 0.00135288
17.13998387 -5.60469957 -0.78299985
0.00086232 -0.00048978 -0.00010826
-0.00174857 -0.00515916 -0.00558798
11.76896688 7.90168316 11.23007742
0.00059311 0.00062607 -0.00061570
-0.00512600 0.00570042 0.01502573
12.92453135 9.54695943 9.08637066
-0.00073646 0.00005193 0.00029204
0.00457227 0.01700665 -0.00031179
0.18630044 -14.20329216 16.95956767
-0.00042304 -0.00017486 0.00021624
0.01351984 -0.01091872 0.00425578
1.54744316 -11.97749681 18.06717300
0.00039461 -0.00080629 0.00020802
0.01133107 -0.00328568 0.00409265
-4.34463350 -1.91908370 -13.49055777
0.00060585 -0.00124140 0.00026253
0.00046123 -0.01743834 0.02014728
-3.17250873 -0.96164432 -15.94349537
-0.00031575 0.00122353 0.00106802
0.00171562 0.00099572 -0.01256532
14.99954773 -8.55225484 -10.96759673
-0.00120974 0.00132845 0.00061525
-0.00230379 0.00190249 -0.01790598
15.95415378 -6.68598360 -8.77812562
0.00027633 0.00145487 -0.00026795
-0.01697961 -0.03338192 -0.02010287
7.29613176 -5.60526957 8.99140653
-0.00048031 -0.00034433 0.00072373
0.02557641 -0.01762556 -0.00053603
9.34614632 -5.37375699 7.08568380
-0.00023126 0.00005227 -0.00008930
0.01450999 0.00189450 -0.01404484
-20.77182805 2.34890934 20.73390182
0.00020064 0.00056828 -0.00003479
-0.01684552 -0.00979191 0.02866802
-21.99691824 0.59791371 22.97115980
0.00074045 0.00026489 0.00081782
-0.00292737 -0.00437927 -0.00188386
26.41920784 -2.77054181 -5.90643929
-0.00025044 -0.00047493 -0.00021371
0.00175182 0.00558852 -0.00182524
25.40969606 -1.36352637 -8.28928367
-0.00059653 -0.00038957 0.00022073
0.00673805 -0.01135057 0.00901053
9.19805745 -15.87851819 -7.64214669
-0.00030760 -0.00061228 0.00011774
-0.00360878 0.02049566 0.00068419
8.57885768 -12.91514142 -6.97048189
0.00012965 0.00014450 -0.00064967
0.01002110 -0.01368041 -0.00260121
-5.34429613 -10.79382338 17.81101812
-0.00020690 0.00011531 0.00042060
0.00421055 0.00142394 0.00998402
-6.65180432 -10.86390882 15.24801487
-0.00149700 -0.00019351 0.00050859
0.00586121 -0.01552693 0.01139224
9.80890690 2.58436229 -29.95353162
0.00003538 -0.00133965 0.00131578
0.00754464 -0.00928967 -0.00355106
6.90173211 2.65773201 -30.62186592
0.00010006 0.00164234 -0.00026400
0.01201148 0.00972275 0.01776396
12.45321899 14.65387384 14.41215024
0.00036243 -0.00019571 0.00107647
-0.00461473 0.01398833 0.00516637
11.25571563 16.28210886 16.75995703
0.00009897 -0.00013299 0.00054116
0.01639104 0.00940492 0.05038708
28.77704026 5.06334153 -4.49093863
0.00060062 -0.00016366 -0.00016134
-0.00882238 0.00905879 0.00501337
26.72655085 6.89709587 -3.11922379
0.00059631 -0.00089215 -0.00066275
0.00546446 -0.00684018 -0.01221399
-9.97835007 4.92466077 6.97927197
0.00001576 0.00003322 -0.00007205
0.00274150 -0.01432597 -0.01281652
-8.64878345 13.21272401 2.56111010
-0.00005589 0.00008476 0.00007786
0.00353956 -0.00048368 -0.00415762
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09482518
0.34100203
454.36810325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3750130997 (a.u.)
total exchange computation time: 2.6287100315 s
-154.1929132842
-931.43514452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3747881102 (a.u.)
total exchange computation time: 2.6272108555 s
-154.1958704811
Anderson extrapolation: theta=1.3065336986 (1.3065336986)
-931.43532275
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3744148780 (a.u.)
total exchange computation time: 2.6262049675 s
-154.2002544611
Anderson extrapolation: theta=0.0495104438 (0.0495104438)
-931.43542471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3743302235 (a.u.)
total exchange computation time: 2.6273159981 s
-154.2009472785
Anderson extrapolation: theta=1.8672065468 (1.8672065468)
-931.43542847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3741454624 (a.u.)
total exchange computation time: 2.6267302036 s
-154.2023959287
Anderson extrapolation: theta=0.2408825764 (0.2408825764)
-931.43543258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3740903644 (a.u.)
total exchange computation time: 2.6275761127 s
-154.2027784170
Anderson extrapolation: theta=1.8679023554 (1.8679023554)
-931.43543352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3740024353 (a.u.)
total exchange computation time: 2.6275880337 s
-154.2033393330
Anderson extrapolation: theta=0.3178159949 (0.3178159949)
-931.43543484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3739917328 (a.u.)
total exchange computation time: 2.6253118515 s
-154.2033571540
Anderson extrapolation: theta=1.2491633637 (1.2491633637)
-931.43543524
-72.381915 23.008704 54.899621
559.124128 1032.409072 -412.340738
486.742213 1055.417777 -357.441116
1215.972375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3739928751 (a.u.)
total exchange computation time: 2.6296608448 s
678.96976876
-1083.66027747
89.72646626
-389.23775892
-174.85964140
78.21443912
551.60419304
0.00000000
-931.43543563
3.89843378 -30.86046818 -2.28227393
0.00006190 0.00033307 -0.00001065
-0.00737801 -0.00439145 0.00912131
-11.91534973 -2.21635733 -9.11605952
0.00034669 0.00021889 -0.00014514
0.00669133 0.00160963 0.02099790
-37.39435421 2.36435662 -0.11937104
-0.00006924 0.00023896 0.00011248
-0.02414361 0.01301303 0.00853876
-11.43683692 -3.92056121 3.87123139
-0.00041531 -0.00000956 0.00001104
0.00705054 -0.04593371 -0.01590436
4.73364020 -3.83228480 9.57687310
-0.00035875 -0.00017414 -0.00032169
-0.01993272 -0.02594108 0.00151919
-31.95567893 -1.11279279 -0.69419649
0.00019816 0.00055607 0.00019639
0.00456722 -0.00135676 -0.00641916
15.12252234 12.55590804 -14.08226882
-0.00066305 0.00018235 -0.00003145
-0.02294979 0.01110964 -0.01613649
-7.73252545 5.78958823 2.42253348
-0.00001992 0.00027661 0.00015356
0.01990573 -0.01355662 -0.02076515
7.36720384 12.50793478 -5.52397240
0.00032614 0.00023669 -0.00018436
0.00226494 -0.00952258 -0.00026116
8.96811939 9.76666926 -19.11263015
-0.00026534 0.00023461 0.00021184
0.01396766 -0.00300197 0.01803744
23.19700316 17.46404468 -2.11307507
0.00038309 -0.00044610 -0.00006152
-0.03158993 0.01432484 0.01144494
2.17216663 16.93436264 -19.08416212
0.00017375 -0.00002446 -0.00053748
0.02504852 -0.01782022 0.00024601
14.08095865 -1.50919442 -5.29670010
0.00005924 0.00025070 -0.00004328
0.01047474 -0.00975843 -0.03386207
-16.13849117 -1.91414276 3.37093615
0.00005370 0.00026715 -0.00034490
0.03666930 0.01201391 -0.00567969
-17.04139523 -1.70401910 19.48405385
0.00022881 -0.00018550 -0.00018968
-0.03023919 0.01493307 -0.01595682
0.22327478 2.17879094 -5.20945151
0.00015459 -0.00015676 0.00022180
-0.01388509 0.02180964 0.01261511
22.25958712 -7.15611597 -8.98790635
0.00004831 0.00002884 -0.00000803
0.04216073 -0.00974236 0.01271344
-0.43252871 -6.46517392 7.24206972
-0.00001654 0.00019055 -0.00002710
-0.00731489 -0.00836881 -0.00747693
-1.93902433 -1.53982703 -19.27091965
0.00022623 0.00012792 -0.00003950
0.02193436 -0.01822027 0.01798005
3.40178148 2.29869215 -9.30316300
-0.00024735 -0.00011282 -0.00000487
0.01478574 -0.01723079 0.02255180
-3.63440850 18.10881972 12.08520708
-0.00022435 -0.00028022 0.00003915
-0.01107566 0.01531314 0.02219971
-3.63250231 4.99185312 -11.39844933
-0.00031227 0.00001553 0.00009484
0.00464651 -0.01120444 -0.03924335
-8.23962334 3.31016042 -8.91995632
0.00025760 -0.00024814 -0.00016040
0.02111527 0.02881534 -0.03560865
1.79894677 27.25573096 8.39529623
0.00048412 0.00020470 0.00017708
-0.02123445 -0.01666392 0.03203800
10.13001365 -6.17763900 -2.03036405
-0.00025002 -0.00008608 0.00011034
-0.00509279 -0.00224168 0.01466092
-8.84882301 0.49501830 5.84461714
0.00016546 0.00021109 0.00024665
0.01307154 0.02085651 -0.01718023
20.51748842 10.67347110 8.78131962
-0.00027103 0.00004331 0.00003110
-0.01070053 0.00346705 -0.00681734
-2.85799166 -2.16743135 -27.15999083
0.00045509 0.00009103 -0.00024394
-0.01302166 0.00165033 0.02044275
-14.28304286 6.02890621 7.37709737
-0.00006674 0.00017173 0.00032648
0.00479772 -0.00857704 -0.00357845
-9.99213296 7.13242306 -2.68937738
0.00027919 0.00019863 0.00012824
0.01300841 -0.00133098 -0.00557751
-1.62553517 -15.83790717 24.17972233
-0.00028928 0.00003960 -0.00053135
-0.06558668 0.00215477 0.01193046
-2.56516377 6.41434232 -6.47513411
-0.00002107 -0.00019845 0.00009284
-0.03915127 0.01694318 -0.00395593
-20.48118717 31.11021582 4.63392659
0.00052650 0.00004169 -0.00005465
-0.00345972 0.00083480 -0.01115205
7.56868125 -0.00646517 8.14445120
-0.00005198 0.00009069 -0.00030868
0.00544535 0.00970999 0.01315853
5.44047366 11.23974291 -13.94331722
0.00015437 0.00018346 -0.00011245
0.04570498 -0.02675093 0.07184320
15.93033583 3.26505933 -1.95533764
-0.00034920 -0.00045927 -0.00006633
0.01089816 0.03786889 0.01143507
-4.03948460 13.62553540 -1.32032302
-0.00024003 0.00005014 0.00036805
-0.01029872 -0.01407406 0.02245480
4.56631302 12.82356451 3.32687807
0.00007154 -0.00018231 -0.00008882
0.00938649 -0.04555083 0.00348446
24.80810932 -11.84519131 -9.45900538
-0.00006427 0.00012026 0.00001520
-0.00269851 -0.00143101 0.00357412
16.43690801 -3.97629035 -0.33067917
-0.00027312 0.00016213 -0.00015458
0.01014781 0.01208684 0.00439992
12.89347567 7.89203309 9.81061959
0.00010470 -0.00012192 0.00023984
0.01238529 -0.00946674 -0.00969710
1.83598278 -13.75765756 17.71539065
-0.00040850 -0.00008201 -0.00007332
-0.02144922 0.00623200 -0.00623190
-4.43078342 -0.58014999 -14.67446294
0.00004212 -0.00014853 0.00009309
0.00138652 0.01378150 0.01077361
14.91821072 -8.27348815 -9.16551430
0.00016779 0.00022963 0.00022261
0.02798370 0.03356118 0.03910045
8.96742599 -6.46956382 8.47943312
-0.00033519 -0.00042369 0.00021092
-0.04119571 0.01396635 0.01554822
-21.35012071 2.24796937 22.54355148
-0.00006141 -0.00008904 0.00014541
0.01830015 0.01758307 -0.02660374
25.86299977 -3.05562207 -7.64643347
-0.00001425 -0.00021551 -0.00043687
-0.01087410 0.00669898 -0.00425572
9.85538447 -14.10301892 -7.61411035
-0.00010847 -0.00006160 -0.00015267
-0.00427888 -0.00391870 -0.00558702
-6.14537996 -11.99778092 16.68905044
-0.00047948 -0.00052010 0.00009528
-0.00525271 0.01707310 -0.01366049
8.25782878 3.43094000 -29.55050484
-0.00016920 0.00008862 0.00015972
-0.01670842 -0.00932099 -0.01128153
11.03156545 15.71611842 15.12469048
-0.00026486 -0.00022926 -0.00003027
-0.01609472 -0.03030185 -0.04028905
28.41598370 6.11563172 -3.01317939
0.00022377 -0.00019922 -0.00001555
0.00449398 0.00096340 -0.00104726
5.26377405 -31.47229734 -3.34443025
-0.00013645 0.00043342 0.00002009
0.00660836 0.00052422 -0.00456031
4.26131980 -31.42547465 -0.58287606
-0.00078039 -0.00065478 -0.00046926
-0.00228413 -0.00007573 0.00449149
-11.82159616 -4.00797662 -8.56042868
0.00065174 -0.00003398 0.00078591
-0.00238851 0.00841153 -0.00573617
-12.48893145 -2.27355438 -10.80055247
-0.00051301 0.00048706 -0.00001479
-0.00579556 0.00054912 -0.02142593
-38.72271812 2.07698930 1.18655737
-0.00094400 0.00026227 -0.00017780
0.02133036 0.00330417 -0.01858577
-37.81747674 4.05860415 -1.00163657
0.00005561 0.00044592 -0.00004239
0.00554710 -0.02458018 0.01335542
-10.81634205 -5.67493286 3.33257610
0.00032965 -0.00064928 -0.00016868
-0.00962097 0.02782212 0.01569981
-9.91500673 -2.95638015 3.67774298
-0.00012996 0.00001141 -0.00038789
0.00578698 0.01388830 0.00241754
5.55674762 -2.28248691 9.23210749
-0.00023006 0.00030906 -0.00114054
0.01567569 0.02563100 -0.00978163
4.20845921 -3.61719200 11.30957814
0.00059102 0.00085749 0.00013824
0.00278228 -0.00903424 0.00705992
-33.38311279 -2.21879791 -0.64493528
0.00033735 0.00007677 -0.00063434
-0.01156008 -0.00026626 0.00290329
-32.52634151 0.54484524 -0.31568941
0.00062275 -0.00044291 0.00063636
-0.01286663 0.01290978 0.01104785
14.95128977 13.11085532 -15.86540945
0.00023103 -0.00105931 0.00118842
-0.01000022 -0.00061278 0.01274313
16.81549264 12.03665829 -14.03688470
0.00047171 -0.00016447 0.00074236
0.03137034 -0.01589803 0.00620934
-8.30338291 7.16292308 1.30811638
-0.00064388 0.00022102 -0.00016926
0.00633468 -0.01661443 0.00684010
-6.90392228 4.47964222 1.22468921
-0.00014759 -0.00056613 -0.00023475
-0.02509185 0.02990163 0.01975083
6.16244039 12.64489760 -6.84821378
0.00014340 -0.00048145 0.00058955
-0.01722679 -0.00418437 -0.01237627
8.64620001 13.68456946 -6.12001637
0.00004062 -0.00059308 -0.00044582
0.01800257 0.00958667 -0.00322967
8.97527441 9.12779194 -20.79707852
-0.00006346 -0.00034367 0.00009965
-0.00008217 -0.00602416 -0.01280091
10.78607834 10.03915277 -18.73763450
0.00050089 0.00041541 -0.00094102
-0.01910036 0.00764446 -0.00690266
24.33989007 16.11397273 -2.49929804
-0.00092822 -0.00062111 -0.00043125
0.01296327 -0.01313759 -0.00493332
24.12225400 19.01425432 -2.16584743
0.00096628 -0.00034986 -0.00034069
0.01650880 0.00580787 -0.00417061
2.09851121 17.49455018 -20.81151069
-0.00056699 -0.00085607 0.00051850
-0.01237880 0.00211369 -0.01203213
3.36989313 15.39115442 -19.19835589
-0.00091347 -0.00099455 -0.00005605
-0.02271032 0.01524890 0.01105975
13.22650913 -2.15167577 -6.83408665
-0.00096566 0.00151761 -0.00003691
0.00143284 0.01634059 0.01571187
12.87106789 -0.89888012 -4.11013082
-0.00004997 -0.00034681 0.00028084
-0.01284809 -0.00408945 0.00637721
-17.36504397 -3.19595993 3.57680731
-0.00092411 0.00049487 -0.00001386
-0.02504556 -0.01548594 0.00510226
-14.58360939 -2.85363579 2.90084931
0.00106900 0.00083588 0.00046115
-0.01018705 0.01518257 0.01161985
-16.50709825 -0.02819765 20.04633591
0.00037982 0.00020484 -0.00096841
0.00611194 0.00552952 0.00809355
-15.66862757 -2.76680126 19.76117336
-0.00035616 -0.00060464 -0.00116145
0.02852248 -0.02131030 0.00859467
-0.84052245 0.72837705 -4.90567266
0.00043633 -0.00052771 -0.00048399
-0.00567726 -0.01663120 -0.00454114
-1.02564823 3.53235054 -4.78187945
0.00050185 0.00025507 0.00035391
0.01827990 -0.00625051 -0.01389804
23.22488319 -8.76596888 -9.16678717
0.00142724 0.00001018 -0.00022651
-0.01812680 0.01158118 0.00151125
23.59082875 -6.04964881 -8.24065201
0.00084280 -0.00036815 -0.00031140
-0.01989205 -0.00221763 -0.00831267
0.65834924 -5.89405797 5.84866300
-0.00045729 -0.00060198 -0.00036145
-0.00525124 -0.00023293 0.01066563
-0.42210855 -5.25869086 8.58802566
-0.00041860 0.00011370 0.00010676
0.00711851 0.00432234 0.00221649
-0.96180696 -3.07400772 -18.65962300
0.00016718 0.00045791 0.00034080
-0.02675191 0.02657708 -0.02154279
-3.47388582 -2.02494531 -20.16976636
0.00005230 0.00038171 -0.00086294
0.00450967 -0.01313191 0.00007980
3.01101598 2.88131802 -10.94790300
0.00016810 -0.00155541 0.00020402
-0.01499788 0.01025971 -0.01824623
1.95450159 2.25126870 -8.13769288
-0.00009530 0.00028368 -0.00042530
0.00018934 0.00991312 -0.00271330
-2.35876044 16.82815732 12.55002941
0.00045674 -0.00033341 0.00094275
-0.00123444 0.00521660 -0.00161908
-3.75672224 19.21609700 13.62035513
0.00049721 0.00079750 0.00028719
0.00783573 -0.01819166 -0.01966954
-4.04023835 6.20030785 -12.77697019
-0.00058747 -0.00035730 0.00196292
0.00371264 -0.01208057 0.02041749
-3.11623166 3.40687433 -12.28766193
0.00055061 0.00113725 0.00127797
-0.01323253 0.01792937 0.01179381
-7.63990499 2.30243529 -7.56390806
-0.00029054 0.00013285 0.00036307
0.01143721 -0.01195676 0.00959203
-6.71780433 4.07240181 -9.85341217
0.00072751 -0.00065043 0.00074204
-0.03489180 -0.02121854 0.02672215
1.87656655 28.18834475 6.86310562
0.00031339 0.00013695 -0.00052486
0.00203544 0.01489818 -0.01459406
0.08033303 27.49919182 9.07762014
0.00019450 -0.00009749 0.00031149
0.02244493 0.00204558 -0.01028610
10.97916658 -6.59059339 -0.44183260
-0.00067276 -0.00038449 -0.00045161
0.00364449 -0.00242298 -0.00593857
8.91727363 -7.54545246 -2.16676240
-0.00028151 0.00029150 -0.00088012
0.00148720 0.00472662 -0.00306513
-7.11291198 0.07601911 6.45029220
0.00026279 0.00076022 -0.00075386
-0.01063737 -0.00359842 0.00243761
-10.06145041 -0.26665551 6.89994423
0.00129633 -0.00069207 -0.00056441
-0.01272366 -0.01333371 0.01578699
21.35536194 10.45955406 10.36463645
0.00097820 0.00013652 -0.00023185
0.00773969 -0.00966998 0.01261874
20.56092728 12.49656621 8.63498017
0.00049552 -0.00076727 0.00033076
0.00582287 0.00976815 -0.01040835
-1.73089742 -2.97824545 -25.95460847
0.00077900 -0.00063469 0.00044519
0.00577863 -0.00967607 -0.00768022
-4.47109881 -2.29679591 -26.21876546
-0.00072235 -0.00018542 0.00009657
0.01079850 0.00465327 -0.01428556
-14.56972748 7.08367697 8.83272203
0.00073846 -0.00021319 0.00078012
-0.00398290 0.00571556 -0.00791797
-14.32819977 7.10083424 5.88205155
-0.00096570 0.00004115 -0.00003735
-0.00567059 0.00451150 0.00723577
-11.19983095 6.72578582 -3.98471439
-0.00017097 -0.00068574 0.00048828
-0.01163102 -0.00013488 0.00033689
-8.84308184 8.11238690 -3.74170089
0.00079023 0.00045588 0.00011279
0.00539919 0.00724376 0.00441325
-1.21211456 -17.50546204 23.52955764
0.00004466 0.00050745 0.00002857
0.01248999 -0.00645018 -0.00441577
-3.56003832 -15.95145245 24.49842521
0.00076531 0.00064088 -0.00009769
0.05281825 0.00904960 -0.00681748
-3.30352024 5.63045847 -8.00992180
0.00018455 -0.00020125 0.00016175
0.01706200 0.01003869 0.01396743
-3.93257067 7.70896129 -6.02675273
0.00046905 0.00034503 -0.00032788
0.02146752 -0.01875868 -0.00544798
-21.66892384 30.12442994 3.54031628
0.00062504 0.00052314 -0.00185125
0.00451584 -0.00068782 -0.00368760
-21.64973590 32.27074661 5.41096450
0.00127107 0.00014690 -0.00088411
-0.00310991 0.00075339 0.01440531
6.91111984 -0.26999836 6.46125397
0.00044922 -0.00050621 0.00038464
-0.00262285 -0.00228322 -0.01515963
6.97833009 1.63273301 8.69818612
0.00090437 0.00034573 0.00055697
0.00199479 -0.00097192 -0.00714664
6.68711748 12.44989806 -13.25570187
-0.00023865 0.00073839 -0.00015341
-0.00831764 -0.00753302 -0.01345897
4.60376308 12.11983060 -15.15328986
-0.00008589 -0.00039086 0.00071287
-0.03196252 0.03725065 -0.04727654
14.58180470 4.41231990 -2.50963515
-0.00043198 -0.00062952 -0.00112495
-0.00010173 -0.00761519 -0.00107051
15.45643331 1.58266521 -2.18590018
-0.00050410 -0.00014111 0.00067829
-0.01080229 -0.02920594 -0.00799242
-2.47060912 13.41236739 -0.41906954
0.00014161 0.00020799 0.00004642
0.00759084 0.00180794 -0.00737365
-5.25016714 13.23449475 0.07987956
-0.00054211 -0.00046951 0.00058578
0.00079525 0.00014452 -0.01570839
3.61174748 11.08518810 3.68122165
-0.00010406 -0.00142539 0.00018117
0.01352033 0.03107094 -0.01066525
6.39007685 12.41991618 3.56154669
-0.00060940 -0.00003836 0.00032515
-0.01805130 0.00016117 -0.00511679
24.96199045 -13.55554246 -8.78377428
0.00081409 0.00004090 0.00018885
-0.00051813 0.01312275 -0.00464096
25.61923793 -11.72643869 -11.10348783
0.00148457 0.00067519 -0.00049691
0.00711614 -0.00622389 -0.00617699
14.70040824 -3.82926624 -0.85369905
0.00015810 -0.00047490 -0.00007558
0.00790340 -0.00045187 0.00030631
17.15286514 -5.61220435 -0.78479500
0.00084898 -0.00049859 -0.00012764
-0.00478455 0.00084502 -0.00389778
11.77770644 7.91124883 11.22130230
0.00056255 0.00064711 -0.00054135
-0.00983199 0.00460231 0.02136924
12.91362454 9.54825954 9.09074177
-0.00071651 0.00011856 0.00029007
0.00519587 0.01560840 -0.00065617
0.18036919 -14.20624971 16.96294164
-0.00036878 -0.00021874 0.00023288
0.01303793 -0.01055999 0.00389104
1.55370954 -11.98969191 18.07041867
0.00043820 -0.00080841 0.00022639
0.01000566 0.00224792 0.00490195
-4.33553157 -1.93823912 -13.48600248
0.00060666 -0.00129947 0.00033315
-0.00006426 -0.01098607 0.01442377
-3.17719236 -0.94326087 -15.92786014
-0.00029589 0.00122346 0.00100435
0.00800495 -0.00102795 -0.01860143
14.98133109 -8.53226984 -10.95891674
-0.00121896 0.00133422 0.00053393
-0.00220920 0.00092365 -0.02189892
15.95777848 -6.66518349 -8.78276092
0.00020313 0.00131170 -0.00035079
-0.01885493 -0.03669907 -0.02044750
7.28971088 -5.61097465 9.00224609
-0.00037393 -0.00041623 0.00071970
0.02649567 -0.01756857 -0.00143700
9.34312210 -5.37291482 7.08391389
-0.00017483 0.00005454 -0.00013927
0.01311147 -0.00078286 -0.01041533
-20.76933459 2.35713342 20.73425843
0.00013058 0.00052607 0.00008502
-0.01745233 -0.01086648 0.02998129
-21.98590112 0.60175291 22.98336942
0.00072616 0.00024021 0.00081037
-0.00407170 -0.00770105 -0.00176214
26.41550495 -2.77749452 -5.90970086
-0.00024351 -0.00045232 -0.00022240
0.00164180 0.00548025 -0.00242716
25.40095463 -1.36971769 -8.28569661
-0.00056990 -0.00043264 0.00025602
0.00629433 -0.00973250 0.00826465
9.19333287 -15.88707433 -7.64035969
-0.00031995 -0.00052312 0.00012034
-0.00243683 0.02314776 0.00059099
8.58110943 -12.91339312 -6.98030667
0.00016836 0.00009007 -0.00065877
0.00892971 -0.01296535 -0.00185365
-5.34727062 -10.79205008 17.81763313
-0.00019470 0.00011358 0.00045405
0.00176345 -0.00227090 0.00638870
-6.67407966 -10.86728734 15.25599288
-0.00147153 -0.00025798 0.00055577
0.00660292 -0.01602962 0.01169965
9.80966886 2.56398292 -29.93390368
0.00005656 -0.00137287 0.00130262
0.00282264 -0.00697533 -0.00289351
6.90360110 2.68266506 -30.62528161
0.00014431 0.00167724 -0.00019553
0.00965009 0.00735875 0.01575498
12.45851409 14.65136687 14.42845566
0.00034268 -0.00013824 0.00109540
-0.00505674 0.01414112 0.00409740
11.25770242 16.28040223 16.76961842
0.00016279 -0.00009871 0.00073365
0.01485001 0.00737295 0.04384007
28.78577915 5.06116426 -4.49320507
0.00056483 -0.00012610 -0.00013903
-0.00869530 0.00932684 0.00590777
26.73566289 6.88350405 -3.12953934
0.00061128 -0.00091596 -0.00071196
0.00186711 -0.00481469 -0.01187414
-9.97810627 4.92512061 6.97815689
0.00001673 0.00002812 -0.00007663
0.00266851 -0.01417853 -0.01278333
-8.64961571 13.21399464 2.56227077
-0.00005509 0.00008465 0.00007683
0.00337289 -0.00052618 -0.00473090
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09478861
0.34064702
453.89508158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3743987345 (a.u.)
total exchange computation time: 2.6954190731 s
-154.1813715370
-931.43351009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3740740826 (a.u.)
total exchange computation time: 2.6931729317 s
-154.1853621688
Anderson extrapolation: theta=1.3892895808 (1.3892895808)
-931.43372577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3735134234 (a.u.)
total exchange computation time: 2.6968400478 s
-154.1917149783
Anderson extrapolation: theta=0.0626112399 (0.0626112399)
-931.43386138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3733923093 (a.u.)
total exchange computation time: 2.6944890022 s
-154.1927857415
Anderson extrapolation: theta=2.0994208687 (2.0000000000)
-931.43386786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3731268435 (a.u.)
total exchange computation time: 2.6947131157 s
-154.1950485979
Anderson extrapolation: theta=0.2854734033 (0.2854734033)
-931.43387560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3730501484 (a.u.)
total exchange computation time: 2.6943271160 s
-154.1956392621
Anderson extrapolation: theta=1.4283967803 (1.4283967803)
-931.43387739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3729643591 (a.u.)
total exchange computation time: 2.6958780289 s
-154.1962420195
Anderson extrapolation: theta=0.3540258130 (0.3540258130)
-931.43387924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3729581989 (a.u.)
total exchange computation time: 2.6969919205 s
-154.1962261857
Anderson extrapolation: theta=1.0543565133 (1.0543565133)
-931.43387982
-72.330057 22.941114 54.956591
559.162700 1032.382246 -412.324223
486.832642 1055.323360 -357.367631
1215.905030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3729694646 (a.u.)
total exchange computation time: 2.6968250275 s
678.96952368
-1083.63898614
89.71829180
-389.25158319
-174.85815695
78.20149538
551.60419304
0.00000000
-931.43388026
3.89933380 -30.85548904 -2.28239851
0.00005785 0.00033092 -0.00000638
-0.00838036 -0.00397144 0.00747042
-11.91012349 -2.21306775 -9.11815562
0.00035013 0.00021922 -0.00013431
0.00667735 -0.00034371 0.02112611
-37.39548600 2.36799116 -0.11765092
-0.00008214 0.00024576 0.00011710
-0.02601482 0.01344291 0.00941962
-11.44303931 -3.92088179 3.87133558
-0.00041071 -0.00003361 0.00000257
0.01080505 -0.04759971 -0.01702713
4.72818212 -3.83499703 9.57205364
-0.00036843 -0.00018607 -0.00032058
-0.01771031 -0.02043173 0.00277090
-31.95268885 -1.10445690 -0.69127533
0.00020093 0.00055315 0.00019258
0.00619056 -0.01003175 -0.00842183
15.11248807 12.55868614 -14.08280282
-0.00067169 0.00018637 -0.00003721
-0.01065661 0.00453040 -0.00626054
-7.73274751 5.79368511 2.42475685
-0.00000962 0.00026946 0.00014220
0.02014761 -0.01423766 -0.02344486
7.37210467 12.51144834 -5.52673874
0.00032711 0.00023099 -0.00018332
0.00151751 -0.01263382 0.00430768
8.96419310 9.77017687 -19.10938292
-0.00025722 0.00023284 0.00022038
0.01763349 -0.00389438 0.01514081
23.20262766 17.45740838 -2.11395369
0.00036633 -0.00043706 -0.00005547
-0.03357390 0.02083394 0.01208363
2.17486955 16.93392693 -19.09222338
0.00018652 -0.00003448 -0.00053482
0.02459406 -0.02111617 0.01008701
14.08188759 -1.50547153 -5.29747986
0.00006414 0.00024589 -0.00006052
0.00858755 -0.00896122 -0.03318991
-16.13754425 -1.91008919 3.36574073
0.00007202 0.00027261 -0.00034758
0.03458760 0.00921310 -0.00474997
-17.03807969 -1.70674404 19.48114704
0.00021263 -0.00017710 -0.00019801
-0.03267876 0.01775396 -0.01642476
0.22554010 2.17652373 -5.20607583
0.00014759 -0.00014543 0.00022821
-0.01334318 0.02222039 0.01230516
22.26047444 -7.15572102 -8.98797772
0.00007108 0.00002304 -0.00000144
0.04637925 -0.01278557 0.01290945
-0.43280497 -6.46234799 7.24163446
-0.00002067 0.00018591 -0.00003056
-0.00874750 -0.00966433 -0.00599176
-1.93554633 -1.53797854 -19.27144279
0.00023665 0.00011878 -0.00003084
0.01861728 -0.01733049 0.01567769
3.39812829 2.29693342 -9.30314905
-0.00023891 -0.00012205 0.00000776
0.01804719 -0.01866538 0.02654252
-3.63781642 18.10467551 12.08588000
-0.00022928 -0.00027245 0.00005177
-0.00810644 0.01491238 0.02686703
-3.63716850 4.99204284 -11.39717812
-0.00030981 0.00000981 0.00007790
0.00493623 -0.01102235 -0.02662566
-8.23567791 3.30654950 -8.92249964
0.00026833 -0.00023360 -0.00017833
0.02062213 0.02771956 -0.03411323
1.80612669 27.25873713 8.39807605
0.00047299 0.00019682 0.00019261
-0.02204399 -0.01394977 0.02833058
10.12624371 -6.17893882 -2.02865233
-0.00025287 -0.00008667 0.00011685
-0.00598837 -0.00005040 0.01062925
-8.84629061 0.49826515 5.84825059
0.00017300 0.00022289 0.00023648
0.01622269 0.02499924 -0.02235816
20.51338172 10.67413412 8.78175984
-0.00027609 0.00004357 0.00002851
-0.00897475 -0.00243580 -0.00327931
-2.85121556 -2.16605954 -27.16357112
0.00044786 0.00009098 -0.00023154
-0.01509618 -0.00185550 0.02778342
-14.28402542 6.03144903 7.38198081
-0.00006428 0.00016740 0.00032431
0.00474447 -0.00823326 -0.00487162
-9.98789492 7.13539731 -2.68747527
0.00028601 0.00019815 0.00012477
0.01352263 -0.00053802 -0.00794132
-1.63012730 -15.83730489 24.17179813
-0.00032164 0.00004189 -0.00052495
-0.06026402 0.00676818 0.01294491
-2.56563086 6.41143092 -6.47375670
-0.00004089 -0.00018965 0.00009101
-0.03791953 0.01729359 -0.00319348
-20.47330294 31.11084441 4.63306383
0.00052520 0.00004067 -0.00006185
-0.00159613 -0.00479220 -0.01684001
7.56792248 -0.00506735 8.13987181
-0.00004863 0.00009594 -0.00030022
0.00760689 0.01068442 0.01971989
5.44296547 11.24239169 -13.94472678
0.00017878 0.00016893 -0.00007419
0.04922704 -0.02977005 0.07692203
15.92513986 3.25831633 -1.95628847
-0.00034382 -0.00043888 -0.00006059
0.01004259 0.04142552 0.01090087
-4.04312478 13.62623326 -1.31471564
-0.00024543 0.00004278 0.00038004
-0.01071766 -0.01454615 0.02416036
4.56742234 12.82065410 3.32555920
0.00007483 -0.00020634 -0.00008699
0.00341036 -0.04788658 0.00364391
24.80713494 -11.84339295 -9.45876358
-0.00006462 0.00011943 0.00001525
0.00130738 -0.00179781 -0.00339801
16.43285042 -3.97381182 -0.33298093
-0.00026618 0.00016684 -0.00015246
0.01683773 0.00624583 0.00384230
12.89509398 7.89016785 9.81417977
0.00011206 -0.00012611 0.00023334
0.01622183 -0.00683422 -0.01558974
1.82977248 -13.75886375 17.71426684
-0.00041893 -0.00008036 -0.00007665
-0.01909356 0.00019450 -0.00673487
-4.43014629 -0.58232473 -14.67302496
0.00004140 -0.00014268 0.00010164
-0.00418669 0.00896611 0.02246120
14.92083551 -8.26991418 -9.16202436
0.00018260 0.00024774 0.00024358
0.02960537 0.03683761 0.04245330
8.96223918 -6.47586531 8.48265691
-0.00035614 -0.00041584 0.00021812
-0.04024130 0.01656073 0.01244151
-21.35097133 2.24670157 22.54562997
-0.00005166 -0.00007897 0.00013155
0.01961664 0.02159953 -0.02728090
25.86274409 -3.05882882 -7.65300293
-0.00001966 -0.00021249 -0.00043861
-0.01015975 0.00501795 -0.00250358
9.85374096 -14.10395805 -7.61642192
-0.00011053 -0.00006444 -0.00015576
-0.00373346 -0.00710600 -0.00642245
-6.15259235 -12.00551662 16.69042699
-0.00048166 -0.00051029 0.00008916
-0.00325284 0.02107477 -0.01014652
8.25522626 3.43223333 -29.54815259
-0.00017588 0.00008379 0.00015436
-0.00925453 -0.00945106 -0.00956917
11.02753041 15.71256259 15.12408099
-0.00027261 -0.00024403 -0.00004871
-0.01404398 -0.02713413 -0.03140025
28.41935759 6.11264715 -3.01341663
0.00022694 -0.00019917 -0.00001637
0.00783953 -0.00076540 -0.00215097
5.26192977 -31.46577990 -3.34426867
-0.00010786 0.00043460 0.00000074
0.00738717 0.00005338 -0.00490920
4.24954389 -31.43529870 -0.58977737
-0.00078826 -0.00065609 -0.00044691
-0.00156629 -0.00056340 0.00645142
-11.81189326 -4.00822860 -8.54881580
0.00064112 0.00000501 0.00075875
-0.00280885 0.01067556 -0.00755949
-12.49680425 -2.26623164 -10.80143086
-0.00053554 0.00048803 -0.00009838
-0.00523368 -0.00007714 -0.01949378
-38.73622453 2.08102463 1.18332087
-0.00085336 0.00027590 -0.00025635
0.02304160 0.00336657 -0.01986442
-37.81647268 4.06453968 -1.00186316
0.00007858 0.00034379 0.00001294
0.00569849 -0.02541230 0.01372753
-10.81169215 -5.68381956 3.33052693
0.00028743 -0.00052974 -0.00010274
-0.01104553 0.03069743 0.01657794
-9.91677884 -2.95578336 3.67199869
-0.00011072 0.00006553 -0.00037747
0.00363051 0.01259959 0.00268242
5.55377711 -2.27706565 9.21469970
-0.00017122 0.00040326 -0.00117864
0.01312732 0.02048206 -0.00887247
4.21740976 -3.60460643 11.31186804
0.00060337 0.00081966 0.00016302
0.00326316 -0.00948635 0.00507196
-33.37840683 -2.21765457 -0.65436140
0.00029235 0.00007804 -0.00062223
-0.01046781 0.00088966 0.00302412
-32.51739449 0.53859711 -0.30580544
0.00056428 -0.00037511 0.00068526
-0.01575569 0.02028059 0.01288930
14.95444886 13.09494683 -15.84719263
0.00018801 -0.00105497 0.00122070
-0.01106122 0.00274045 0.00305646
16.82352952 12.03370405 -14.02555901
0.00057734 -0.00022249 0.00076800
0.02033946 -0.01250252 0.00634035
-8.31284699 7.16572929 1.30578710
-0.00061627 0.00014959 -0.00013912
0.00717902 -0.01835180 0.00791457
-6.90690504 4.47206658 1.22177325
-0.00025218 -0.00043911 -0.00015122
-0.02610390 0.03227432 0.02113721
6.16406358 12.63754764 -6.83974974
0.00006803 -0.00049773 0.00053314
-0.01966950 -0.00378715 -0.01523723
8.64736098 13.67596702 -6.12680265
0.00011964 -0.00054822 -0.00046211
0.02067834 0.01237183 -0.00474559
8.97431994 9.12245235 -20.79597609
-0.00006529 -0.00036639 0.00005240
-0.00081131 -0.00509723 -0.01032599
10.79300647 10.04561819 -18.75196139
0.00041698 0.00044627 -0.00096831
-0.02197886 0.00745992 -0.00645609
24.32636406 16.10425358 -2.50591793
-0.00086932 -0.00068064 -0.00045326
0.01586706 -0.01600452 -0.00584379
24.13725407 19.00918433 -2.17108552
0.00103080 -0.00033240 -0.00035723
0.01507638 0.00274331 -0.00392644
2.08962701 17.48177388 -20.80410187
-0.00061768 -0.00084177 0.00045094
-0.01243155 0.00488832 -0.02103765
3.35549518 15.37670338 -19.19885780
-0.00100398 -0.00093104 -0.00001181
-0.02159371 0.01584066 0.01059715
13.21206811 -2.12841091 -6.83415877
-0.00095833 0.00158279 0.00002563
0.00215683 0.01556613 0.01490154
12.86992469 -0.90420759 -4.10572274
-0.00009993 -0.00036312 0.00030710
-0.01160820 -0.00389468 0.00647301
-17.37967306 -3.18901138 3.57675569
-0.00101652 0.00043729 0.00000450
-0.02019264 -0.01270027 0.00388610
-14.56788648 -2.84063235 2.90812257
0.00102165 0.00089694 0.00050923
-0.01299223 0.01470745 0.01191568
-16.50121372 -0.02495566 20.03205779
0.00040497 0.00022392 -0.00093526
0.00620297 0.00381449 0.00813276
-15.67309592 -2.77652387 19.74401503
-0.00023510 -0.00069399 -0.00112513
0.03073681 -0.02242947 0.00918225
-0.83415151 0.71995176 -4.91307169
0.00041225 -0.00059371 -0.00050184
-0.00610671 -0.01567361 -0.00419728
-1.01756033 3.53598511 -4.77699672
0.00057592 0.00022694 0.00029722
0.01797730 -0.00752098 -0.01384875
23.24573639 -8.76546137 -9.17013858
0.00134678 0.00006243 -0.00022015
-0.02126062 0.01399973 0.00160271
23.60286118 -6.05523904 -8.24557779
0.00075885 -0.00037603 -0.00034576
-0.02120071 -0.00164027 -0.00850561
0.65132895 -5.90309484 5.84356816
-0.00047645 -0.00060003 -0.00031930
-0.00412689 0.00118732 0.00996313
-0.42816949 -5.25685297 8.58969495
-0.00038858 0.00013120 0.00011395
0.00758119 0.00424583 0.00130548
-0.96011909 -3.06632469 -18.65517109
0.00005855 0.00056376 0.00025321
-0.02641897 0.02523990 -0.02133431
-3.47296307 -2.01962207 -20.18270802
0.00007681 0.00032917 -0.00085850
0.00748595 -0.01258813 0.00209247
3.01307788 2.85830120 -10.94540179
0.00010417 -0.00150977 0.00011797
-0.01629477 0.01208377 -0.02387592
1.95307794 2.25582772 -8.14415554
-0.00009831 0.00032363 -0.00043300
-0.00166339 0.00964092 -0.00105796
-2.35194711 16.82331602 12.56412105
0.00044583 -0.00030672 0.00093288
-0.00410626 0.00784623 -0.00321053
-3.74902398 19.22750211 13.62406021
0.00052877 0.00071820 0.00020055
0.00761388 -0.02062585 -0.02274039
-4.04893670 6.19457821 -12.74690079
-0.00057648 -0.00039392 0.00202964
0.00166835 -0.00584897 0.01224551
-3.10837805 3.42448255 -12.26813093
0.00050020 0.00119750 0.00131730
-0.01144310 0.01156341 0.00745592
-7.64391257 2.30406163 -7.55816807
-0.00024453 0.00008411 0.00040214
0.01108090 -0.01190053 0.00953142
-6.70796095 4.06199519 -9.84146277
0.00058651 -0.00073527 0.00084846
-0.03412445 -0.02031194 0.02537312
1.88132976 28.19085553 6.85478547
0.00032039 0.00019232 -0.00057533
0.00139112 0.01220619 -0.01011145
0.08393831 27.49779213 9.08197724
0.00028908 -0.00008889 0.00026771
0.02385079 0.00216634 -0.01114519
10.96918686 -6.59643505 -0.44878872
-0.00065419 -0.00039644 -0.00046812
0.00544697 -0.00342430 -0.00214296
8.91309662 -7.54093507 -2.18005809
-0.00027725 0.00030862 -0.00089232
0.00059745 0.00365150 -0.00290865
-7.10929604 0.08731216 6.43905899
0.00022250 0.00074393 -0.00074199
-0.00908842 -0.00437449 0.00337517
-10.04239530 -0.27744513 6.89196183
0.00123461 -0.00075347 -0.00049100
-0.01748821 -0.01672093 0.02014840
21.37027205 10.46130554 10.36154544
0.00100694 0.00009645 -0.00018530
0.00633121 -0.00994451 0.01016363
20.56853844 12.48535646 8.63962266
0.00051860 -0.00071468 0.00028620
0.00547873 0.01597467 -0.01140297
-1.71903532 -2.98806226 -25.94816598
0.00079370 -0.00066810 0.00040529
0.00141448 -0.00667847 -0.01184949
-4.48160318 -2.29943466 -26.21775467
-0.00066465 -0.00016550 0.00003163
0.01744770 0.00509942 -0.01750061
-14.55877257 7.08065429 8.84418123
0.00072211 -0.00018931 0.00074670
-0.00402366 0.00597294 -0.00844228
-14.34285901 7.10158971 5.88171307
-0.00098819 0.00005823 -0.00000391
-0.00533833 0.00384996 0.00913095
-11.20275185 6.71549552 -3.97737989
-0.00021386 -0.00068345 0.00049195
-0.00936478 0.00125902 0.00146212
-8.83106297 8.11944701 -3.73987387
0.00080633 0.00048120 0.00013307
0.00248072 0.00515275 0.00551472
-1.21106189 -17.49804802 23.52985084
0.00009649 0.00047381 0.00000792
0.01288080 -0.01001603 -0.00569023
-3.54694019 -15.94156193 24.49675094
0.00097052 0.00067619 -0.00012461
0.04763253 0.00823430 -0.00635935
-3.30022921 5.62774741 -8.00706750
0.00025307 -0.00016102 0.00021693
0.01647884 0.00965297 0.01304397
-3.92487707 7.71356198 -6.03183790
0.00055515 0.00026847 -0.00034979
0.02067747 -0.01872113 -0.00527684
-21.65940992 30.13225596 3.51243452
0.00064711 0.00052407 -0.00186003
0.00629195 0.00114527 -0.00061053
-21.63076518 32.27297318 5.39814432
0.00124967 0.00015708 -0.00082034
-0.00736578 0.00423212 0.01680838
6.91777777 -0.27766148 6.46655906
0.00043368 -0.00051448 0.00031237
-0.00498473 -0.00176496 -0.02021634
6.99195679 1.63788915 8.70632160
0.00091240 0.00033875 0.00052434
0.00193722 -0.00244364 -0.00882364
6.68328293 12.46074313 -13.25841547
-0.00027205 0.00070714 -0.00020863
-0.00803278 -0.00776725 -0.01356949
4.60149531 12.11510912 -15.14404550
-0.00022441 -0.00023183 0.00050974
-0.03584366 0.04059758 -0.05215510
14.57532185 4.40264373 -2.52654222
-0.00042884 -0.00066282 -0.00112683
0.00163876 -0.00868638 0.00014931
15.44854087 1.57965353 -2.17597073
-0.00054916 -0.00026646 0.00064536
-0.01125895 -0.03215254 -0.00812832
-2.46825241 13.41554263 -0.41859925
0.00016967 0.00021546 0.00001576
0.00614561 0.00184746 -0.00763166
-5.25827445 13.22745647 0.08818489
-0.00053521 -0.00046756 0.00051882
0.00258101 0.00081069 -0.01706824
3.61060090 11.06475937 3.68361239
-0.00004670 -0.00129287 0.00013682
0.01455697 0.03379843 -0.01104668
6.38038269 12.41934565 3.56626717
-0.00067447 -0.00003833 0.00030479
-0.01380115 -0.00014273 -0.00484829
24.97418593 -13.55452681 -8.78108371
0.00081141 0.00009681 0.00016893
-0.00079396 0.01424512 -0.00511110
25.64172456 -11.71650159 -11.11113070
0.00150620 0.00064845 -0.00050784
0.00346987 -0.00686260 0.00082507
14.70302187 -3.83640364 -0.85482332
0.00018287 -0.00047673 -0.00007659
0.00422314 -0.00044166 -0.00080288
17.16545319 -5.61965734 -0.78682904
0.00082346 -0.00048372 -0.00014038
-0.00770465 0.00643325 -0.00233750
11.78584343 7.92109655 11.21383682
0.00051381 0.00066387 -0.00044227
-0.01402691 0.00360205 0.02713354
12.90303616 9.55051622 9.09507266
-0.00069389 0.00017857 0.00028704
0.00587307 0.01376592 -0.00082658
0.17523698 -14.20985444 16.96655407
-0.00031703 -0.00026115 0.00024785
0.01229264 -0.01019992 0.00343739
1.56058913 -12.00174924 18.07396477
0.00047634 -0.00078768 0.00024817
0.00866489 0.00790126 0.00575731
-4.32643359 -1.95806783 -13.48056321
0.00060532 -0.00133099 0.00038038
-0.00059157 -0.00444454 0.00869547
-3.18138538 -0.92494041 -15.91336492
-0.00025043 0.00121547 0.00091637
0.01424788 -0.00288715 -0.02446667
14.96297906 -8.51222823 -10.95157885
-0.00122810 0.00133632 0.00043805
-0.00226618 0.00010486 -0.02503616
15.96024764 -6.64663252 -8.78864936
0.00012355 0.00115667 -0.00043441
-0.02009915 -0.03919228 -0.02048319
7.28491381 -5.61775644 9.01299758
-0.00026480 -0.00048732 0.00071224
0.02692571 -0.01723231 -0.00221551
9.34090144 -5.37212064 7.08150567
-0.00012424 0.00004564 -0.00017407
0.01165413 -0.00357793 -0.00662122
-20.76791071 2.36469153 20.73645248
0.00005860 0.00047966 0.00020857
-0.01778330 -0.01185307 0.03049487
-21.97513354 0.60512014 22.99547104
0.00070748 0.00020269 0.00080343
-0.00507130 -0.01066735 -0.00163795
26.41190268 -2.78411136 -5.91311119
-0.00023699 -0.00043020 -0.00023355
0.00154723 0.00534474 -0.00303457
25.39259896 -1.37650547 -8.28160305
-0.00054534 -0.00046841 0.00028797
0.00572824 -0.00778001 0.00737544
9.18845895 -15.89421183 -7.63853647
-0.00032777 -0.00042415 0.00012251
-0.00139348 0.02529954 0.00047330
8.58390846 -12.91243942 -6.99024504
0.00020213 0.00003919 -0.00066464
0.00759909 -0.01193841 -0.00101839
-5.35013702 -10.79041596 17.82463968
-0.00019236 0.00009699 0.00047299
-0.00061770 -0.00585129 0.00287981
-6.69595033 -10.87164825 15.26468792
-0.00144328 -0.00032396 0.00060359
0.00722858 -0.01626611 0.01171099
9.81060382 2.54317606 -29.91445308
0.00005807 -0.00139625 0.00129196
-0.00208407 -0.00446869 -0.00232353
6.90606150 2.70804909 -30.62773174
0.00017818 0.00170215 -0.00013599
0.00692700 0.00483689 0.01339040
12.46349929 14.64972657 14.44501219
0.00032151 -0.00008050 0.00110976
-0.00530495 0.01412561 0.00293277
11.26059931 16.27914746 16.78196660
0.00021979 -0.00007375 0.00089644
0.01305205 0.00484529 0.03584369
28.79398514 5.05955859 -4.49510944
0.00052977 -0.00008783 -0.00011355
-0.00846831 0.00940352 0.00656370
26.74488937 6.86961715 -3.14058261
0.00061128 -0.00093138 -0.00075983
-0.00186951 -0.00273697 -0.01155783
-9.97784813 4.92550432 6.97697318
0.00001768 0.00002307 -0.00008120
0.00261152 -0.01404609 -0.01277784
-8.65043623 13.21526343 2.56341497
-0.00005433 0.00008452 0.00007568
0.00322158 -0.00055931 -0.00512637
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09460567
0.33927459
452.06638697
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3737380995 (a.u.)
total exchange computation time: 2.6957070827 s
-154.1767034485
-931.43140445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3734002566 (a.u.)
total exchange computation time: 2.6978569031 s
-154.1806160479
Anderson extrapolation: theta=1.3648003669 (1.3648003669)
-931.43161439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3728382970 (a.u.)
total exchange computation time: 2.6980500221 s
-154.1866613304
Anderson extrapolation: theta=0.0597883195 (0.0597883195)
-931.43174266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3727246412 (a.u.)
total exchange computation time: 2.6996622086 s
-154.1876255422
Anderson extrapolation: theta=2.0510293048 (2.0000000000)
-931.43174840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3724743149 (a.u.)
total exchange computation time: 2.6984071732 s
-154.1896760445
Anderson extrapolation: theta=0.2605612764 (0.2605612764)
-931.43175504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3724061225 (a.u.)
total exchange computation time: 2.6961920261 s
-154.1901789656
Anderson extrapolation: theta=1.5481192981 (1.5481192981)
-931.43175647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3723223090 (a.u.)
total exchange computation time: 2.6951918602 s
-154.1907451415
Anderson extrapolation: theta=0.3101730914 (0.3101730914)
-931.43175802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3723184813 (a.u.)
total exchange computation time: 2.6993989944 s
-154.1907186408
Anderson extrapolation: theta=1.1334327061 (1.1334327061)
-931.43175846
-72.275640 22.876112 55.007809
559.201028 1032.356459 -412.308784
486.925387 1055.232571 -357.300976
1215.843781
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3723305893 (a.u.)
total exchange computation time: 2.6971619129 s
678.97430575
-1083.62914303
89.71047813
-389.25772088
-174.85734820
78.19480793
551.60419304
0.00000000
-931.43175882
3.90016917 -30.85054053 -2.28246546
0.00005334 0.00032896 -0.00000294
-0.00915716 -0.00365637 0.00591199
-11.90484575 -2.20978083 -9.12008874
0.00035348 0.00021861 -0.00012365
0.00633451 -0.00199976 0.02032650
-37.39681848 2.37172941 -0.11585813
-0.00009583 0.00025270 0.00012208
-0.02719606 0.01353224 0.00995054
-11.44915833 -3.92156958 3.87130841
-0.00040419 -0.00005825 -0.00000641
0.01455711 -0.04820143 -0.01789437
4.72258741 -3.83786689 9.56725556
-0.00037688 -0.00019499 -0.00031887
-0.01517238 -0.01426995 0.00390891
-31.94965101 -1.09619841 -0.68841914
0.00020441 0.00054588 0.00018775
0.00734427 -0.01823177 -0.01035812
15.10237160 12.56149920 -14.08338512
-0.00067401 0.00018695 -0.00003755
0.00164089 -0.00226406 0.00493079
-7.73281413 5.79767216 2.42679935
0.00000072 0.00026202 0.00012965
0.02008225 -0.01470447 -0.02532491
7.37701720 12.51486444 -5.52947186
0.00032765 0.00022381 -0.00018011
0.00059452 -0.01527950 0.00816651
8.96040284 9.77365444 -19.10601889
-0.00024736 0.00023055 0.00022727
0.02071323 -0.00499433 0.01168722
23.20799314 17.45093280 -2.11473908
0.00034876 -0.00042478 -0.00004913
-0.03474339 0.02691920 0.01255880
2.17776221 16.93332832 -19.10020682
0.00019900 -0.00004604 -0.00052714
0.02394662 -0.02385577 0.01978909
14.08288278 -1.50181778 -5.29851566
0.00006798 0.00024151 -0.00007725
0.00636542 -0.00806256 -0.03187248
-16.13633050 -1.90596455 3.36050867
0.00008900 0.00027658 -0.00034972
0.03144644 0.00624319 -0.00357524
-17.03501625 -1.70933201 19.47811352
0.00019559 -0.00016748 -0.00020647
-0.03358234 0.01964786 -0.01648488
0.22770248 2.17442794 -5.20260523
0.00014089 -0.00013412 0.00023443
-0.01269508 0.02177983 0.01189961
22.26171957 -7.15542471 -8.98794949
0.00009580 0.00001578 0.00000520
0.04976087 -0.01546020 0.01290648
-0.43314870 -6.45959662 7.24115296
-0.00002556 0.00018063 -0.00003317
-0.01028257 -0.01085453 -0.00416148
-1.93192471 -1.53626375 -19.27184499
0.00024525 0.00011028 -0.00002346
0.01482015 -0.01569548 0.01302889
3.39461433 2.29503070 -9.30293033
-0.00022886 -0.00013189 0.00002215
0.02100532 -0.01959809 0.02942907
-3.64128688 18.10064634 12.08676019
-0.00023269 -0.00026495 0.00006659
-0.00516123 0.01425036 0.03075932
-3.64179661 4.99214753 -11.39611233
-0.00030721 0.00000418 0.00006780
0.00517173 -0.01089974 -0.01265978
-8.23157338 3.30315242 -8.92530614
0.00027867 -0.00021988 -0.00019517
0.01958662 0.02565061 -0.03137153
1.81313654 27.26163568 8.40107443
0.00046162 0.00019038 0.00020603
-0.02217986 -0.01110133 0.02386407
10.12242757 -6.18023902 -2.02685861
-0.00025618 -0.00008610 0.00012125
-0.00687378 0.00225925 0.00647873
-8.84363306 0.50170487 5.85171155
0.00018186 0.00023669 0.00022386
0.01823622 0.02869963 -0.02672328
20.50920578 10.67477834 8.78217477
-0.00028020 0.00004087 0.00002780
-0.00703334 -0.00809784 0.00054137
-2.84455592 -2.16470204 -27.16693707
0.00043972 0.00008918 -0.00021559
-0.01654545 -0.00514142 0.03423159
-14.28497138 6.03392834 7.38682667
-0.00006186 0.00016326 0.00032150
0.00467406 -0.00787508 -0.00606764
-9.98355255 7.13836742 -2.68563442
0.00029303 0.00019803 0.00012009
0.01375377 0.00009287 -0.01025504
-1.63518435 -15.83665040 24.16397379
-0.00035084 0.00004647 -0.00051816
-0.05327344 0.01101532 0.01344418
-2.56639048 6.40865293 -6.47240392
-0.00005989 -0.00018071 0.00008965
-0.03597126 0.01744591 -0.00208982
-20.46543103 31.11143604 4.63207116
0.00052484 0.00003682 -0.00007192
0.00017036 -0.01020400 -0.02232382
7.56722240 -0.00358710 8.13544455
-0.00004421 0.00010163 -0.00028855
0.00958873 0.01146977 0.02567552
5.44583706 11.24481080 -13.94554291
0.00020439 0.00015329 -0.00003414
0.05037458 -0.03103937 0.07883547
15.92002136 3.25189292 -1.95715521
-0.00033894 -0.00041707 -0.00005517
0.00889741 0.04337677 0.01015366
-4.04684764 13.62681890 -1.30892186
-0.00025097 0.00003521 0.00039280
-0.01079548 -0.01489369 0.02546894
4.56855796 12.81737426 3.32426845
0.00007499 -0.00023137 -0.00008512
-0.00279569 -0.04943268 0.00359856
24.80617064 -11.84160847 -9.45854799
-0.00006294 0.00011849 0.00001179
0.00523097 -0.00183246 -0.01004879
16.42892273 -3.97128512 -0.33525304
-0.00025581 0.00016867 -0.00015058
0.02348905 0.00088569 0.00347069
12.89683743 7.88824987 9.81761967
0.00012121 -0.00012887 0.00022395
0.01938155 -0.00390738 -0.02089839
1.82341487 -13.76006843 17.71309107
-0.00042807 -0.00008180 -0.00008022
-0.01643392 -0.00577764 -0.00713296
-4.42954146 -0.58443030 -14.67141370
0.00003791 -0.00013934 0.00011602
-0.00939745 0.00401791 0.03346072
14.92368870 -8.26605602 -9.15820691
0.00019812 0.00026727 0.00026589
0.03076445 0.03911258 0.04430275
8.95674191 -6.48203904 8.48597667
-0.00037642 -0.00040673 0.00022366
-0.03862542 0.01886551 0.00910208
-21.35167061 2.24560039 22.54749799
-0.00004137 -0.00006698 0.00011759
0.02040515 0.02500739 -0.02702578
25.86241003 -3.06199685 -7.65959170
-0.00002467 -0.00021041 -0.00043941
-0.00934000 0.00307040 -0.00060614
9.85206865 -14.10495200 -7.61878304
-0.00011222 -0.00006885 -0.00015927
-0.00283853 -0.01004710 -0.00724659
-6.15982983 -12.01308973 16.69172526
-0.00048282 -0.00049855 0.00008489
-0.00126731 0.02457330 -0.00646302
8.25255236 3.43345375 -29.54587417
-0.00017863 0.00007890 0.00014999
-0.00143719 -0.00956390 -0.00738892
11.02338703 15.70879741 15.12322926
-0.00027930 -0.00025705 -0.00006227
-0.01195225 -0.02348601 -0.02133165
28.42279197 6.10965667 -3.01367046
0.00023181 -0.00019995 -0.00001770
0.01109162 -0.00227779 -0.00300691
5.26053823 -31.45925920 -3.34440796
-0.00007638 0.00043401 -0.00001980
0.00802124 -0.00034440 -0.00514608
4.23767199 -31.44515727 -0.59628331
-0.00079332 -0.00065930 -0.00041706
-0.00090913 -0.00100911 0.00815818
-11.80236250 -4.00782631 -8.53766622
0.00062881 0.00005254 0.00072437
-0.00321718 0.01258886 -0.00926759
-12.50499779 -2.25891362 -10.80350396
-0.00055517 0.00048651 -0.00017242
-0.00437079 -0.00066463 -0.01674809
-38.74831881 2.08526628 1.17886695
-0.00075689 0.00028952 -0.00033888
0.02417853 0.00330274 -0.02053736
-37.81511937 4.06891779 -1.00124844
0.00010196 0.00023917 0.00006933
0.00574687 -0.02580085 0.01387647
-10.80771919 -5.69082493 3.32949376
0.00023995 -0.00040012 -0.00003381
-0.01219637 0.03275021 0.01716573
-9.91832844 -2.95441438 3.66641880
-0.00010085 0.00011399 -0.00036586
0.00120519 0.01112213 0.00300004
5.55161112 -2.27038913 9.19674816
-0.00012347 0.00047515 -0.00121243
0.01024448 0.01470681 -0.00766548
4.22656030 -3.59260225 11.31446879
0.00061773 0.00078000 0.00017930
0.00376772 -0.00992541 0.00289831
-33.37434241 -2.21645670 -0.66360219
0.00025228 0.00008436 -0.00060958
-0.00914431 0.00220222 0.00316677
-32.50941308 0.53359191 -0.29513154
0.00049453 -0.00027855 0.00074153
-0.01838916 0.02698730 0.01465310
14.95693004 13.07920630 -15.82878849
0.00014082 -0.00103663 0.00121112
-0.01203604 0.00623363 -0.00774340
16.83281292 12.02998357 -14.01384475
0.00063775 -0.00026656 0.00079374
0.00923242 -0.00907209 0.00625913
-8.32187109 7.16741079 1.30394288
-0.00058559 0.00007200 -0.00010518
0.00783849 -0.01962686 0.00869546
-6.91148760 4.46646892 1.22015271
-0.00035998 -0.00030371 -0.00006298
-0.02666567 0.03400461 0.02205606
6.16448130 12.62996558 -6.83221954
-0.00001603 -0.00051252 0.00046636
-0.02147804 -0.00344939 -0.01745143
8.64978925 13.66812280 -6.13387977
0.00020865 -0.00049280 -0.00048442
0.02289376 0.01475821 -0.00617491
8.97331575 9.11680038 -20.79550651
-0.00007008 -0.00038498 0.00001605
-0.00153180 -0.00400715 -0.00746825
10.79858760 10.05254081 -18.76668395
0.00032250 0.00047649 -0.00099345
-0.02426914 0.00733586 -0.00584664
24.31381047 16.09355357 -2.51289597
-0.00079983 -0.00075069 -0.00047867
0.01815118 -0.01828476 -0.00659188
24.15317810 19.00428247 -2.17656424
0.00108914 -0.00032779 -0.00037275
0.01347927 -0.00048784 -0.00367170
2.07998093 17.46929717 -20.79798237
-0.00066879 -0.00081656 0.00034701
-0.01258913 0.00745238 -0.02983795
3.33977384 15.36322316 -19.19871025
-0.00108943 -0.00086562 0.00003033
-0.02023864 0.01618388 0.01003240
13.19775926 -2.10419205 -6.83331763
-0.00094823 0.00164457 0.00008425
0.00278759 0.01467659 0.01379148
12.86807008 -0.90977374 -4.10091796
-0.00014404 -0.00037909 0.00033309
-0.00998522 -0.00392476 0.00624983
-17.39553968 -3.18284117 3.57694223
-0.00108797 0.00039206 0.00001770
-0.01477961 -0.00944107 0.00257786
-14.55295981 -2.82672754 2.91612610
0.00096377 0.00095542 0.00055813
-0.01534286 0.01391857 0.01202155
-16.49494904 -0.02147991 20.01827809
0.00043034 0.00023561 -0.00090211
0.00621164 0.00190619 0.00809526
-15.67568052 -2.78762110 19.72741945
-0.00010796 -0.00078565 -0.00108708
0.03149706 -0.02243845 0.00944256
-0.82815481 0.71056589 -4.92072797
0.00038698 -0.00065481 -0.00051842
-0.00626327 -0.01423725 -0.00391817
-1.00837066 3.53915875 -4.77296273
0.00064795 0.00019433 0.00024107
0.01728416 -0.00844346 -0.01363777
23.26528660 -8.76409587 -9.17339176
0.00125431 0.00012334 -0.00021349
-0.02400249 0.01581272 0.00165703
23.61359431 -6.06092981 -8.25102484
0.00067042 -0.00038104 -0.00038045
-0.02208533 -0.00081276 -0.00847731
0.64405575 -5.91205895 5.83908391
-0.00049075 -0.00059220 -0.00028048
-0.00287499 0.00264851 0.00903957
-0.43376580 -5.25475487 8.59144425
-0.00035669 0.00014812 0.00011721
0.00802511 0.00403467 0.00028710
-0.96005033 -3.05709480 -18.65202668
-0.00004752 0.00066256 0.00016727
-0.02550664 0.02312108 -0.02073347
-3.47158153 -2.01507031 -20.19552144
0.00011318 0.00027894 -0.00084594
0.01031619 -0.01199907 0.00405632
3.01414113 2.83602495 -10.94436385
0.00003559 -0.00145766 0.00001104
-0.01727569 0.01342642 -0.02846554
1.95155234 2.26097759 -8.15068303
-0.00010894 0.00036243 -0.00043389
-0.00354008 0.00935417 0.00062686
-2.34538545 16.81895559 12.57801592
0.00042356 -0.00026986 0.00091655
-0.00679828 0.01020088 -0.00478697
-3.74085909 19.23764314 13.62637161
0.00055912 0.00063001 0.00010281
0.00724327 -0.02254829 -0.02510261
-4.05753279 6.18849012 -12.71608091
-0.00057462 -0.00040321 0.00206124
-0.00075626 0.00130499 0.00322323
-3.10122576 3.44279945 -12.24814298
0.00045804 0.00123002 0.00133798
-0.00919057 0.00435544 0.00266895
-7.64724104 2.30495864 -7.55184394
-0.00020062 0.00003678 0.00043954
0.01041433 -0.01126947 0.00877722
-6.70020892 4.05034373 -9.82795835
0.00045040 -0.00081548 0.00094831
-0.03250641 -0.01894965 0.02350361
1.88617823 28.19411438 6.84584564
0.00032483 0.00023627 -0.00060665
0.00078071 0.00930764 -0.00521619
0.08900531 27.49652520 9.08565129
0.00038784 -0.00007964 0.00022107
0.02449666 0.00236071 -0.01168336
10.95954097 -6.60248656 -0.45587618
-0.00062814 -0.00041263 -0.00046888
0.00730241 -0.00450015 0.00177159
8.90895621 -7.53619391 -2.19353203
-0.00027668 0.00032125 -0.00090394
-0.00032193 0.00252961 -0.00277707
-7.10623709 0.09833712 6.42803263
0.00018897 0.00072449 -0.00072628
-0.00732153 -0.00514105 0.00431385
-10.02441199 -0.28925952 6.88521425
0.00115531 -0.00082781 -0.00040141
-0.02133294 -0.01966960 0.02370752
21.38557017 10.46244757 10.35907731
0.00102934 0.00005549 -0.00014957
0.00463348 -0.01010715 0.00732891
20.57648537 12.47512573 8.64356630
0.00054049 -0.00063744 0.00023779
0.00523276 0.02183471 -0.01229805
-1.70708652 -2.99828836 -25.94244970
0.00079121 -0.00068961 0.00034905
-0.00263294 -0.00385362 -0.01568361
-4.49103825 -2.30176089 -26.21781643
-0.00058165 -0.00014388 -0.00004528
0.02318063 0.00548134 -0.02014934
-14.54806425 7.07799766 8.85512303
0.00070559 -0.00016444 0.00071125
-0.00406308 0.00620226 -0.00891154
-14.35784541 7.10258114 5.88193420
-0.00100923 0.00007268 0.00003700
-0.00495964 0.00322190 0.01089609
-11.20624669 6.70528240 -3.96995578
-0.00024708 -0.00067545 0.00050041
-0.00689691 0.00265676 0.00267673
-8.81889205 8.12682292 -3.73770887
0.00081064 0.00049809 0.00015761
-0.00037042 0.00311651 0.00650091
-1.20921980 -17.49124783 23.52979531
0.00014967 0.00042643 -0.00001756
0.01315012 -0.01317485 -0.00678554
-3.53092284 -15.93116677 24.49468693
0.00115152 0.00070801 -0.00014907
0.04096996 0.00734290 -0.00561327
-3.29592825 5.62562794 -8.00341378
0.00031867 -0.00012291 0.00026731
0.01563694 0.00900334 0.01161479
-3.91591624 7.71701533 -6.03724646
0.00063714 0.00019288 -0.00037070
0.01945677 -0.01827923 -0.00495764
-21.64951040 30.14015216 3.48451535
0.00067612 0.00053231 -0.00185618
0.00790879 0.00288405 0.00249709
-21.61224588 32.27545911 5.38635425
0.00121133 0.00018111 -0.00074719
-0.01140093 0.00752715 0.01899901
6.92413020 -0.28543277 6.47062516
0.00040898 -0.00052061 0.00022050
-0.00710414 -0.00123771 -0.02475497
7.00570222 1.64289551 8.71391632
0.00092005 0.00032607 0.00048501
0.00180738 -0.00376484 -0.01042647
6.67895608 12.47111218 -13.26196070
-0.00030354 0.00067564 -0.00026381
-0.00738174 -0.00765135 -0.01344160
4.59703083 12.11287571 -15.13799752
-0.00037474 -0.00006341 0.00029265
-0.03774610 0.04184520 -0.05411283
14.56893945 4.39243520 -2.54344014
-0.00041939 -0.00069924 -0.00112401
0.00298550 -0.00914083 0.00123265
15.43995841 1.57467134 -2.16653943
-0.00059543 -0.00040047 0.00061227
-0.01138722 -0.03344442 -0.00806772
-2.46551906 13.41883109 -0.41859667
0.00019165 0.00022305 -0.00001591
0.00461655 0.00187083 -0.00787050
-5.26622358 13.22046788 0.09544417
-0.00052151 -0.00046306 0.00044706
0.00412586 0.00139209 -0.01805693
3.61034646 11.04640202 3.68532612
0.00001428 -0.00115053 0.00009114
0.01529449 0.03587840 -0.01131098
6.36984271 12.41876637 3.57069051
-0.00072100 -0.00003983 0.00028577
-0.00897543 -0.00059136 -0.00446501
24.98633274 -13.55263812 -8.77870638
0.00080763 0.00015652 0.00014744
-0.00105784 0.01498421 -0.00540925
25.66442384 -11.70698508 -11.11872300
0.00151310 0.00061919 -0.00049123
-0.00009113 -0.00746376 0.00730535
14.70589431 -3.84356811 -0.85599680
0.00019229 -0.00047851 -0.00008221
0.00039086 -0.00042794 -0.00194857
17.17756904 -5.62671606 -0.78900633
0.00078639 -0.00044711 -0.00014704
-0.01044099 0.01148737 -0.00092208
11.79312076 7.93116504 11.20803424
0.00044865 0.00067669 -0.00032068
-0.01786764 0.00267241 0.03238578
12.89280772 9.55361657 9.09935290
-0.00066850 0.00023031 0.00028366
0.00655883 0.01156397 -0.00082718
0.17085814 -14.21408429 16.97037716
-0.00026893 -0.00030205 0.00026077
0.01125743 -0.00981932 0.00288751
1.56799975 -12.01332233 18.07786371
0.00050901 -0.00074402 0.00027343
0.00732612 0.01347045 0.00661083
-4.31737186 -1.97816893 -13.47459103
0.00060185 -0.00133605 0.00040455
-0.00110754 0.00196784 0.00313588
-3.18470522 -0.90679690 -15.90036916
-0.00018026 0.00120037 0.00080546
0.02010037 -0.00450030 -0.02982456
14.94448814 -8.49218019 -10.94577533
-0.00123774 0.00133537 0.00033158
-0.00245145 -0.00057113 -0.02708208
15.96148500 -6.63048351 -8.79579314
0.00003998 0.00099315 -0.00051744
-0.02080881 -0.04084862 -0.02016341
7.28176692 -5.62559434 9.02361330
-0.00015499 -0.00055644 0.00070187
0.02682547 -0.01659877 -0.00286071
9.33939501 -5.37154573 7.07869166
-0.00007971 0.00002527 -0.00019327
0.01014355 -0.00639233 -0.00277449
-20.76757671 2.37152322 20.74051544
-0.00001408 0.00042947 0.00033242
-0.01779314 -0.01271513 0.03013258
-21.96467676 0.60783361 23.00747228
0.00068511 0.00015404 0.00079691
-0.00587971 -0.01314565 -0.00155303
26.40839524 -2.79040064 -5.91670749
-0.00023082 -0.00040872 -0.00024716
0.00147270 0.00517292 -0.00362648
25.38459434 -1.38377006 -8.27705747
-0.00052335 -0.00049557 0.00031599
0.00503699 -0.00551329 0.00634154
9.18349963 -15.89979882 -7.63668425
-0.00033160 -0.00031750 0.00012419
-0.00048024 0.02690723 0.00034680
8.58717320 -12.91221738 -7.00024583
0.00022991 -0.00000687 -0.00066683
0.00600231 -0.01060814 -0.00005245
-5.35304129 -10.78914043 17.83182272
-0.00019950 0.00006618 0.00047792
-0.00287797 -0.00922771 -0.00046277
-6.71737799 -10.87700605 15.27410069
-0.00141276 -0.00039032 0.00065084
0.00770924 -0.01621869 0.01141423
9.81141105 2.52209533 -29.89514489
0.00003948 -0.00140913 0.00128337
-0.00701858 -0.00183329 -0.00187978
6.90894643 2.73372956 -30.62936122
0.00020022 0.00171650 -0.00008683
0.00386381 0.00218580 0.01067123
12.46815937 14.64895196 14.46174846
0.00029971 -0.00002317 0.00111919
-0.00536443 0.01393839 0.00168560
11.26429611 16.27818963 16.79651150
0.00026900 -0.00005976 0.00102445
0.01103740 0.00200386 0.02681984
28.80167213 5.05852923 -4.49661155
0.00049587 -0.00004970 -0.00008593
-0.00812463 0.00926199 0.00695384
26.75400127 6.85556252 -3.15233423
0.00059592 -0.00093830 -0.00080640
-0.00564740 -0.00065038 -0.01123915
-9.97757598 4.92581261 6.97572086
0.00001860 0.00001807 -0.00008577
0.00256529 -0.01389895 -0.01276072
-8.65124553 13.21653028 2.56454131
-0.00005359 0.00008439 0.00007445
0.00311248 -0.00058741 -0.00549454
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09457142
0.33718739
449.28529684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3733160162 (a.u.)
total exchange computation time: 2.6950209141 s
-154.1713047343
-931.42895116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3729449455 (a.u.)
total exchange computation time: 2.6959209442 s
-154.1755569084
Anderson extrapolation: theta=1.3424542864 (1.3424542864)
-931.42916406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3723513136 (a.u.)
total exchange computation time: 2.6965939999 s
-154.1820092840
Anderson extrapolation: theta=0.0515656713 (0.0515656713)
-931.42929033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3722439388 (a.u.)
total exchange computation time: 2.6952018738 s
-154.1829860657
Anderson extrapolation: theta=1.8696023017 (1.8696023017)
-931.42929489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3720178616 (a.u.)
total exchange computation time: 2.6948060989 s
-154.1849889983
Anderson extrapolation: theta=0.2199039982 (0.2199039982)
-931.42929946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3719603263 (a.u.)
total exchange computation time: 2.6935901642 s
-154.1854605945
Anderson extrapolation: theta=1.8218802716 (1.8218802716)
-931.42930035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3718740528 (a.u.)
total exchange computation time: 2.6968779564 s
-154.1861370956
Anderson extrapolation: theta=0.2941790607 (0.2941790607)
-931.42930149
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3718683416 (a.u.)
total exchange computation time: 2.6966798306 s
-154.1861527784
Anderson extrapolation: theta=1.2780704386 (1.2780704386)
-931.42930183
-72.221141 22.815170 55.052282
559.238293 1032.332078 -412.295165
487.017152 1055.147249 -357.242883
1215.789414
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3718763401 (a.u.)
total exchange computation time: 2.6693980694 s
678.98155136
-1083.62560763
89.70290544
-389.25933690
-174.85693807
78.19175514
551.60419304
0.00000000
-931.42930214
3.90093390 -30.84562024 -2.28248681
0.00004849 0.00032712 -0.00000026
-0.00968939 -0.00348812 0.00451778
-11.89951913 -2.20650934 -9.12186504
0.00035658 0.00021726 -0.00011360
0.00573163 -0.00327922 0.01872605
-37.39836077 2.37557205 -0.11398857
-0.00010994 0.00025960 0.00012724
-0.02768324 0.01329560 0.01013542
-11.45516506 -3.92262923 3.87114319
-0.00039576 -0.00008296 -0.00001578
0.01821472 -0.04789370 -0.01852308
4.71687565 -3.84084683 9.56248763
-0.00038399 -0.00020067 -0.00031660
-0.01248460 -0.00779560 0.00490933
-31.94655652 -1.08808058 -0.68564286
0.00020834 0.00053466 0.00018197
0.00794960 -0.02540904 -0.01211227
15.09226778 12.56429479 -14.08392939
-0.00067016 0.00018407 -0.00003190
0.01332543 -0.00895781 0.01705841
-7.73272582 5.80154577 2.42864648
0.00001097 0.00025438 0.00011635
0.01975776 -0.01500435 -0.02642928
7.38193432 12.51816267 -5.53214197
0.00032768 0.00021542 -0.00017515
-0.00049338 -0.01736219 0.01110884
8.95677238 9.77709348 -19.10256470
-0.00023607 0.00022766 0.00023229
0.02317173 -0.00626670 0.00783549
23.21309059 17.44466490 -2.11542759
0.00033081 -0.00040956 -0.00004260
-0.03506706 0.03226989 0.01283391
2.18083961 16.93254566 -19.10803759
0.00021113 -0.00005886 -0.00051465
0.02320284 -0.02597886 0.02876491
14.08392707 -1.49822623 -5.29979735
0.00007065 0.00023767 -0.00009314
0.00400521 -0.00686059 -0.02992177
-16.13487415 -1.90179174 3.35524902
0.00010416 0.00027905 -0.00035121
0.02747954 0.00334201 -0.00220730
-17.03221189 -1.71176841 19.47495283
0.00017849 -0.00015716 -0.00021488
-0.03293770 0.02049298 -0.01620739
0.22976692 2.17250017 -5.19904282
0.00013456 -0.00012324 0.00024043
-0.01193754 0.02051727 0.01140209
22.26334859 -7.15524766 -8.98782169
0.00012205 0.00000724 0.00001179
0.05229718 -0.01775565 0.01272607
-0.43357177 -6.45692899 7.24063937
-0.00003127 0.00017477 -0.00003477
-0.01190241 -0.01195211 -0.00205862
-1.92818875 -1.53467004 -19.27214667
0.00025181 0.00010282 -0.00001751
0.01067163 -0.01330824 0.01011558
3.39126242 2.29297678 -9.30248458
-0.00021740 -0.00014207 0.00003768
0.02356946 -0.02000233 0.03096907
-3.64479715 18.09672710 12.08787767
-0.00023461 -0.00025783 0.00008320
-0.00231235 0.01341079 0.03385386
-3.64638482 4.99216814 -11.39514420
-0.00030451 -0.00000141 0.00006513
0.00533876 -0.01083129 0.00226872
-8.22731775 3.29995324 -8.92835466
0.00028832 -0.00020743 -0.00021031
0.01792015 0.02275469 -0.02751764
1.81997527 27.26444858 8.40425691
0.00045035 0.00018540 0.00021702
-0.02164896 -0.00827068 0.01888997
10.11855841 -6.18152179 -2.02501491
-0.00025993 -0.00008433 0.00012352
-0.00772822 0.00461776 0.00236918
-8.84083483 0.50536599 5.85496635
0.00019140 0.00025223 0.00020926
0.01885056 0.03170281 -0.03003946
20.50497559 10.67536010 8.78259388
-0.00028329 0.00003539 0.00002909
-0.00496635 -0.01318398 0.00446452
-2.83802392 -2.16338421 -27.17003893
0.00043098 0.00008576 -0.00019658
-0.01743246 -0.00813083 0.03968944
-14.28588128 6.03634689 7.39162571
-0.00005948 0.00015930 0.00031810
0.00457891 -0.00754270 -0.00713507
-9.97910408 7.14133824 -2.68387269
0.00030012 0.00019821 0.00011423
0.01380962 0.00059029 -0.01250595
-1.64065239 -15.83591093 24.15625318
-0.00037599 0.00005309 -0.00051128
-0.04453394 0.01473023 0.01333909
-2.56742762 6.40600953 -6.47106727
-0.00007772 -0.00017175 0.00008894
-0.03337038 0.01740782 -0.00067971
-20.45755781 31.11194894 4.63090627
0.00052532 0.00003029 -0.00008471
0.00171659 -0.01516209 -0.02741442
7.56659629 -0.00201836 8.13121536
-0.00003883 0.00010766 -0.00027404
0.01130573 0.01197703 0.03074130
5.44909726 11.24699045 -13.94575085
0.00022994 0.00013748 0.00000606
0.04897047 -0.03044585 0.07746780
15.91497151 3.24580414 -1.95794361
-0.00033473 -0.00039473 -0.00005020
0.00749096 0.04350410 0.00919387
-4.05065378 13.62728964 -1.30293160
-0.00025646 0.00002749 0.00040613
-0.01056439 -0.01512692 0.02636816
4.56967202 12.81371307 3.32300546
0.00007192 -0.00025702 -0.00008333
-0.00914469 -0.05031463 0.00337241
24.80524669 -11.83983812 -9.45840992
-0.00005930 0.00011763 0.00000504
0.00894274 -0.00154196 -0.01619331
16.42517625 -3.96875158 -0.33749839
-0.00024208 0.00016792 -0.00014884
0.02989050 -0.00383606 0.00328480
12.89873040 7.88630176 9.82089835
0.00013178 -0.00013007 0.00021206
0.02170837 -0.00076563 -0.02533212
1.81693048 -13.76131769 17.71186027
-0.00043578 -0.00008622 -0.00008395
-0.01355447 -0.01140004 -0.00738596
-4.42900913 -0.58650487 -14.66954430
0.00003192 -0.00013853 0.00013574
-0.01386798 -0.00088524 0.04322705
14.92677922 -8.26189612 -9.15404768
0.00021413 0.00028773 0.00028874
0.03149349 0.04045749 0.04454913
8.95094667 -6.48806722 8.48936665
-0.00039572 -0.00039653 0.00022746
-0.03645072 0.02080299 0.00567915
-21.35221248 2.24469215 22.54915752
-0.00003081 -0.00005343 0.00010400
0.02065330 0.02768803 -0.02580324
25.86200392 -3.06514119 -7.66618515
-0.00002925 -0.00020939 -0.00043921
-0.00844347 0.00090974 0.00137323
9.85037444 -14.10602346 -7.62120007
-0.00011335 -0.00007470 -0.00016324
-0.00156931 -0.01271624 -0.00817285
-6.16707709 -12.02047326 16.69297368
-0.00048299 -0.00048517 0.00008253
0.00062544 0.02747845 -0.00271248
8.24986736 3.43460038 -29.54365275
-0.00017733 0.00007396 0.00014686
0.00647384 -0.00963601 -0.00478342
11.01915144 15.70485106 15.12221297
-0.00028493 -0.00026814 -0.00007051
-0.00993279 -0.01961935 -0.01073282
28.42631191 6.10664862 -3.01394749
0.00023829 -0.00020143 -0.00001940
0.01412193 -0.00349258 -0.00360410
5.25963827 -31.45275960 -3.34486264
-0.00004265 0.00043196 -0.00004105
0.00849263 -0.00065912 -0.00525785
4.22574438 -31.45507770 -0.60228926
-0.00079584 -0.00066418 -0.00038089
-0.00032434 -0.00138152 0.00954678
-11.79302891 -4.00665250 -8.52708461
0.00061486 0.00010714 0.00068329
-0.00361125 0.01413893 -0.01084084
-12.51345921 -2.25163633 -10.80660347
-0.00057072 0.00048268 -0.00023389
-0.00324135 -0.00120989 -0.01334320
-38.75893128 2.08971035 1.17315437
-0.00065698 0.00030264 -0.00042295
0.02472811 0.00311607 -0.02061558
-37.81341386 4.07171467 -0.99978329
0.00012533 0.00013386 0.00012587
0.00569495 -0.02574535 0.01380115
-10.80449370 -5.69582316 3.32951261
0.00018830 -0.00026368 0.00003698
-0.01308457 0.03403934 0.01748626
-9.91980419 -2.95236377 3.66102276
-0.00010120 0.00015617 -0.00035287
-0.00138108 0.00952670 0.00335886
5.55007298 -2.26281128 9.17832683
-0.00008786 0.00052279 -0.00124081
0.00718944 0.00861626 -0.00622657
4.23594175 -3.58120635 11.31724716
0.00063414 0.00073859 0.00018650
0.00426470 -0.01034680 0.00062301
-33.37083841 -2.21512387 -0.67264890
0.00021792 0.00009624 -0.00059630
-0.00767574 0.00361245 0.00333441
-32.50255867 0.53024065 -0.28355961
0.00041483 -0.00015684 0.00080461
-0.02062502 0.03259030 0.01622612
14.95867358 13.06384780 -15.81085891
0.00008988 -0.00100397 0.00115587
-0.01290035 0.00975394 -0.01930564
16.84266215 12.02570711 -14.00174689
0.00065372 -0.00029688 0.00081877
-0.00141937 -0.00576748 0.00599225
-8.33041479 7.16788943 1.30263157
-0.00055264 -0.00000981 -0.00006866
0.00829276 -0.02042167 0.00918503
-6.91770440 4.46295527 1.21988390
-0.00046920 -0.00016254 0.00002813
-0.02680006 0.03509754 0.02254142
6.16358272 12.62217212 -6.82575886
-0.00010593 -0.00052603 0.00039209
-0.02252970 -0.00316545 -0.01890731
8.65362058 13.66118305 -6.14133533
0.00030552 -0.00042865 -0.00051225
0.02452229 0.01664347 -0.00744872
8.97221769 9.11090281 -20.79549463
-0.00007779 -0.00039890 -0.00000813
-0.00224273 -0.00280514 -0.00436981
10.80268136 10.05991301 -18.78176482
0.00021989 0.00050634 -0.00101580
-0.02595550 0.00727547 -0.00509314
24.30236930 16.08173295 -2.52027799
-0.00072247 -0.00082852 -0.00050667
0.01971357 -0.01981549 -0.00711730
24.16992823 18.99935071 -2.18226799
0.00114075 -0.00033643 -0.00038723
0.01178628 -0.00374443 -0.00341451
2.06956332 17.45727718 -20.79369153
-0.00072073 -0.00078162 0.00020861
-0.01283483 0.00964898 -0.03791140
3.32281215 15.35073478 -19.19794786
-0.00116895 -0.00079925 0.00006996
-0.01868438 0.01630422 0.00936788
13.18362126 -2.07907373 -6.83163126
-0.00093591 0.00170242 0.00013760
0.00324420 0.01363953 0.01232486
12.86560350 -0.91558044 -4.09573015
-0.00018089 -0.00039541 0.00035760
-0.00805238 -0.00405923 0.00575007
-17.41231208 -3.17724958 3.57728675
-0.00113663 0.00036063 0.00002546
-0.00904206 -0.00594227 0.00121867
-14.53897345 -2.81196972 2.92486639
0.00089726 0.00101007 0.00060709
-0.01721355 0.01283415 0.01194771
-16.48830367 -0.01788733 20.00499453
0.00045559 0.00023924 -0.00086923
0.00614998 -0.00012936 0.00799997
-15.67633479 -2.80009350 19.71140256
0.00001926 -0.00087498 -0.00104857
0.03078094 -0.02128857 0.00940905
-0.82254197 0.70030748 -4.92862437
0.00036159 -0.00070914 -0.00053397
-0.00616855 -0.01235688 -0.00369259
-0.99812172 3.54181491 -4.76976454
0.00071637 0.00015869 0.00018611
0.01620658 -0.00899898 -0.01326906
23.28336580 -8.76176126 -9.17654339
0.00115150 0.00019042 -0.00020670
-0.02632506 0.01702457 0.00166849
23.62297390 -6.06667038 -8.25699144
0.00057927 -0.00038218 -0.00041459
-0.02253718 0.00025862 -0.00823393
0.63660634 -5.92086073 5.83515366
-0.00049976 -0.00057837 -0.00024581
-0.00153146 0.00412121 0.00793095
-0.43887029 -5.25240949 8.59321114
-0.00032304 0.00016395 0.00011615
0.00844880 0.00371413 -0.00080535
-0.96154478 -3.04644790 -18.65015294
-0.00014868 0.00075109 0.00008460
-0.02400949 0.02021522 -0.01973601
-3.46956775 -2.01125392 -20.20808627
0.00016064 0.00023116 -0.00082557
0.01291529 -0.01138657 0.00591712
3.01414561 2.81457155 -10.94507045
-0.00003624 -0.00140115 -0.00011188
-0.01788545 0.01423342 -0.03170489
1.94980979 2.26670074 -8.15717210
-0.00012717 0.00040006 -0.00042791
-0.00538674 0.00906281 0.00229761
-2.33924042 16.81522033 12.59161742
0.00039074 -0.00022402 0.00089385
-0.00926352 0.01223830 -0.00632052
-3.73225029 19.24640227 13.62714458
0.00058769 0.00053503 -0.00000318
0.00674067 -0.02394480 -0.02677893
-4.06617524 6.18248201 -12.68506349
-0.00058335 -0.00038170 0.00205473
-0.00351949 0.00922074 -0.00640915
-3.09463672 3.46138327 -12.22799147
0.00042599 0.00123167 0.00133837
-0.00650132 -0.00355195 -0.00247719
-7.64993126 2.30516498 -7.54498188
-0.00016001 -0.00000718 0.00047270
0.00946467 -0.01024994 0.00745727
-6.69444909 4.03753092 -9.81301348
0.00032272 -0.00088920 0.00103946
-0.02998914 -0.01714017 0.02111738
1.89107455 28.19794366 6.83658612
0.00032687 0.00026824 -0.00061760
0.00022206 0.00634323 -0.00014547
0.09557363 27.49540295 9.08860931
0.00048768 -0.00006946 0.00017290
0.02437581 0.00262426 -0.01189694
10.95034262 -6.60881387 -0.46285506
-0.00059456 -0.00043330 -0.00045369
0.00913484 -0.00562139 0.00566160
8.90479608 -7.53129771 -2.20717618
-0.00027987 0.00032927 -0.00091506
-0.00123718 0.00139866 -0.00266615
-7.10362685 0.10904699 6.41727065
0.00016304 0.00070195 -0.00070675
-0.00537401 -0.00589217 0.00524503
-10.00773609 -0.30227938 6.87991961
0.00106274 -0.00091281 -0.00029941
-0.02398095 -0.02193987 0.02622174
21.40115226 10.46297016 10.35705834
0.00104435 0.00001407 -0.00012590
0.00271307 -0.01016870 0.00425799
20.58475300 12.46623317 8.64675625
0.00056154 -0.00053757 0.00018596
0.00507242 0.02705302 -0.01307257
-1.69529909 -3.00875064 -25.93769461
0.00077301 -0.00070006 0.00027801
-0.00627520 -0.00126240 -0.01908968
-4.49905266 -2.30375119 -26.21911307
-0.00047714 -0.00012082 -0.00013186
0.02797654 0.00580650 -0.02223203
-14.53760495 7.07572116 8.86551868
0.00068890 -0.00013870 0.00067398
-0.00410503 0.00639770 -0.00933141
-14.37313577 7.10377003 5.88282310
-0.00102865 0.00008466 0.00008479
-0.00454892 0.00264406 0.01249650
-11.21016421 6.69523209 -3.96236763
-0.00027005 -0.00066162 0.00051393
-0.00434565 0.00411385 0.00394217
-8.80674384 8.13438983 -3.73514546
0.00080357 0.00050683 0.00018591
-0.00308892 0.00115949 0.00734916
-1.20657180 -17.48525509 23.52932391
0.00020362 0.00036728 -0.00004705
0.01326061 -0.01577771 -0.00764869
-3.51239459 -15.92032160 24.49227890
0.00130208 0.00073606 -0.00016980
0.03273220 0.00638910 -0.00453572
-3.29066897 5.62406026 -7.99904823
0.00038036 -0.00008796 0.00031085
0.01455791 0.00810143 0.00969952
-3.90576297 7.71934841 -6.04295887
0.00071330 0.00011994 -0.00039003
0.01782560 -0.01742385 -0.00450524
-21.63912618 30.14822512 3.45674921
0.00071133 0.00054737 -0.00183969
0.00932246 0.00448906 0.00557340
-21.59442531 32.27840636 5.37572857
0.00115731 0.00021783 -0.00066574
-0.01503948 0.01044812 0.02087409
6.93004725 -0.29327991 6.47317413
0.00037632 -0.00052450 0.00011164
-0.00888547 -0.00066401 -0.02853266
7.01955841 1.64767115 8.72087203
0.00092700 0.00030842 0.00043936
0.00159405 -0.00487552 -0.01192296
6.67417682 12.48101231 -13.26632971
-0.00033167 0.00064532 -0.00031800
-0.00638721 -0.00719011 -0.01308713
4.59025303 12.11320684 -15.13526590
-0.00052835 0.00010555 0.00007390
-0.03744540 0.04085916 -0.05296666
14.56274001 4.38166647 -2.56026252
-0.00040467 -0.00073734 -0.00111688
0.00422080 -0.00950847 0.00225768
15.43067807 1.56763947 -2.15760257
-0.00064122 -0.00053637 0.00057987
-0.01102788 -0.03308106 -0.00779219
-2.46250277 13.42223421 -0.41907645
0.00020732 0.00023070 -0.00004847
0.00304976 0.00187332 -0.00807040
-5.27391986 13.21356460 0.10159680
-0.00050201 -0.00045637 0.00037204
0.00542033 0.00188414 -0.01866907
3.61102936 11.03024352 3.68634665
0.00007779 -0.00100083 0.00004459
0.01579336 0.03740055 -0.01147837
6.35875266 12.41815085 3.57484021
-0.00074685 -0.00004343 0.00026853
-0.00368003 -0.00117284 -0.00397555
24.99841473 -13.54983112 -8.77666056
0.00080281 0.00021846 0.00012508
-0.00130236 0.01533621 -0.00553373
25.68711754 -11.69792599 -11.12586758
0.00150583 0.00058758 -0.00044953
-0.00346817 -0.00800692 0.01310572
14.70879071 -3.85075880 -0.85728970
0.00018609 -0.00048024 -0.00009248
-0.00342662 -0.00041895 -0.00307917
17.18904501 -5.63307077 -0.79124014
0.00073864 -0.00039113 -0.00014825
-0.01293421 0.01591549 0.00032852
11.79930306 7.94139730 11.20421647
0.00036956 0.00068586 -0.00017980
-0.02085077 0.00181325 0.03657524
12.88298124 9.55742563 9.10358244
-0.00064025 0.00027247 0.00028052
0.00726928 0.00907078 -0.00070928
0.16716923 -14.21891592 16.97437722
-0.00022560 -0.00034136 0.00027127
0.00994923 -0.00942214 0.00225255
1.57585937 -12.02406987 18.08216781
0.00053630 -0.00067832 0.00030208
0.00603347 0.01869298 0.00741228
-4.30837801 -1.99814943 -13.46842667
0.00059633 -0.00131566 0.00040676
-0.00159473 0.00801486 -0.00205343
-3.18679317 -0.88892919 -15.88920124
-0.00008776 0.00117935 0.00067440
0.02517988 -0.00579070 -0.03432930
14.92584698 -8.47216715 -10.94163157
-0.00124831 0.00133192 0.00021926
-0.00272582 -0.00111703 -0.02789666
15.96144706 -6.61683794 -8.80417266
-0.00004545 0.00082451 -0.00059852
-0.02101027 -0.04170459 -0.01952404
7.28026406 -5.63444950 9.03405369
-0.00004666 -0.00062237 0.00068916
0.02620237 -0.01567819 -0.00336181
9.33851025 -5.37136259 7.07570761
-0.00004137 -0.00000641 -0.00019692
0.00862230 -0.00911344 0.00098526
-20.76833317 2.37757564 20.74642511
-0.00008614 0.00037604 0.00045300
-0.01748132 -0.01343998 0.02889263
-21.95458032 0.60974143 23.01937834
0.00065989 0.00009652 0.00079058
-0.00646623 -0.01501457 -0.00154545
26.40497805 -2.79637289 -5.92052604
-0.00022490 -0.00038800 -0.00026311
0.00142532 0.00497039 -0.00417898
25.37689843 -1.39137253 -8.27212325
-0.00050440 -0.00051294 0.00033956
0.00423777 -0.00299055 0.00519260
9.17851087 -15.90373677 -7.63481077
-0.00033197 -0.00020540 0.00012533
0.00029929 0.02796426 0.00021136
8.59080580 -12.91264547 -7.01024983
0.00025073 -0.00004691 -0.00066489
0.00418871 -0.00899394 0.00099920
-5.35612193 -10.78843044 17.83897740
-0.00021549 0.00002221 0.00046973
-0.00495200 -0.01229999 -0.00354962
-6.73833318 -10.88335782 15.28421298
-0.00138060 -0.00045590 0.00069624
0.00803500 -0.01588461 0.01081283
9.81178813 2.50090224 -29.87595189
0.00000105 -0.00141120 0.00127628
-0.01179101 0.00081973 -0.00159218
6.91206816 2.75954399 -30.63033670
0.00020921 0.00171988 -0.00004937
0.00053412 -0.00053089 0.00766485
12.47249069 14.64903159 14.47858804
0.00027804 0.00003308 0.00112340
-0.00524273 0.01359353 0.00037355
11.26866935 16.27735462 16.81270009
0.00030969 -0.00005761 0.00111470
0.00887951 -0.00094945 0.01735725
28.80886120 5.05806750 -4.49768749
0.00046362 -0.00001260 -0.00005728
-0.00766108 0.00890054 0.00707075
26.76276706 6.84146803 -3.16477464
0.00056535 -0.00093682 -0.00085166
-0.00932009 0.00137566 -0.01091707
-9.97729005 4.92604629 6.97440003
0.00001951 0.00001312 -0.00009033
0.00252536 -0.01373300 -0.01272167
-8.65204400 13.21779508 2.56564853
-0.00005288 0.00008425 0.00007314
0.00301834 -0.00061121 -0.00583508
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09453778
0.33476436
446.05673006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3730401494 (a.u.)
total exchange computation time: 2.6711719036 s
-154.1663370385
-931.42656731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3726260758 (a.u.)
total exchange computation time: 2.6701619625 s
-154.1709024725
Anderson extrapolation: theta=1.3418023651 (1.3418023651)
-931.42678893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3719758023 (a.u.)
total exchange computation time: 2.6697230339 s
-154.1777835791
Anderson extrapolation: theta=0.0510769825 (0.0510769825)
-931.42692016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3718662638 (a.u.)
total exchange computation time: 2.6726679802 s
-154.1787937147
Anderson extrapolation: theta=1.8543630153 (1.8543630153)
-931.42692483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3716374493 (a.u.)
total exchange computation time: 2.6682209969 s
-154.1808570584
Anderson extrapolation: theta=0.2179571824 (0.2179571824)
-931.42692945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3715793045 (a.u.)
total exchange computation time: 2.6686091423 s
-154.1813489626
Anderson extrapolation: theta=1.8321049934 (1.8321049934)
-931.42693035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3714910827 (a.u.)
total exchange computation time: 2.6703331470 s
-154.1820712802
Anderson extrapolation: theta=0.2952033400 (0.2952033400)
-931.42693150
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3714846520 (a.u.)
total exchange computation time: 2.6697001457 s
-154.1821022786
Anderson extrapolation: theta=1.2793836657 (1.2793836657)
-931.42693184
-72.167096 22.759450 99.465511
559.273744 1032.309445 -412.284056
487.106648 1055.068895 -312.818545
1203.452825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3714918821 (a.u.)
total exchange computation time: 2.6688578129 s
678.98899297
-1083.62359033
89.69574873
-389.25998461
-174.85660703
78.18956214
551.60419304
0.00000000
-931.42693215
3.90162388 -30.84072685 -2.28247330
0.00004344 0.00032532 0.00000176
-0.00996148 -0.00350483 0.00333073
-11.89414830 -2.20326314 -9.12349688
0.00035931 0.00021533 -0.00010455
0.00489001 -0.00420475 0.01647925
-37.40011663 2.37951727 -0.11204083
-0.00012412 0.00026628 0.00013242
-0.02746716 0.01271778 0.00999999
-11.46103126 -3.92405836 3.87083507
-0.00038550 -0.00010731 -0.00002540
0.02168545 -0.04677977 -0.01891281
4.71106758 -3.84388692 9.55775758
-0.00038971 -0.00020300 -0.00031385
-0.00975086 -0.00127167 0.00576673
-31.94340070 -1.08015876 -0.68296003
0.00021243 0.00052011 0.00017537
0.00794632 -0.03113732 -0.01357083
15.08226677 12.56702127 -14.08434205
-0.00066056 0.00017784 -0.00001990
0.02399613 -0.01527994 0.02959807
-7.73248509 5.80530362 2.43028971
0.00002099 0.00024663 0.00010267
0.01921489 -0.01514711 -0.02676699
7.38684763 12.52132695 -5.53472638
0.00032711 0.00020611 -0.00016895
-0.00172596 -0.01881034 0.01300592
8.95332068 9.78048418 -19.09905006
-0.00022368 0.00022408 0.00023527
0.02501195 -0.00765788 0.00374448
23.21791751 17.43864595 -2.11601709
0.00031291 -0.00039184 -0.00003599
-0.03453522 0.03664611 0.01286479
2.18409601 16.93156258 -19.11564646
0.00022283 -0.00007255 -0.00049788
0.02230212 -0.02726701 0.03648083
14.08500227 -1.49468760 -5.30130987
0.00007208 0.00023449 -0.00010788
0.00155347 -0.00550054 -0.02740039
-16.13320581 -1.89759315 3.34997235
0.00011711 0.00028008 -0.00035196
0.02288289 0.00069223 -0.00069360
-17.02966164 -1.71404670 19.47166710
0.00016209 -0.00014667 -0.00022307
-0.03084310 0.02026833 -0.01565578
0.23173927 2.17073069 -5.19539245
0.00012865 -0.00011322 0.00024613
-0.01105033 0.01846672 0.01079845
22.26538106 -7.15520760 -8.98759571
0.00014938 -0.00000239 0.00001825
0.05397077 -0.01968217 0.01237825
-0.43408666 -6.45435356 7.24010989
-0.00003782 0.00016836 -0.00003523
-0.01357502 -0.01296026 0.00024855
-1.92437046 -1.53317901 -19.27237032
0.00025616 0.00009679 -0.00001312
0.00623497 -0.01014222 0.00697059
3.38809234 2.29076856 -9.30179991
-0.00020475 -0.00015232 0.00005361
0.02563957 -0.01986931 0.03098552
-3.64832527 18.09291133 12.08925633
-0.00023510 -0.00025119 0.00010121
0.00040525 0.01240990 0.03615878
-3.65093185 4.99210518 -11.39415856
-0.00030175 -0.00000696 0.00007026
0.00540476 -0.01075431 0.01770399
-8.22292387 3.29692960 -8.93161547
0.00029692 -0.00019667 -0.00022321
0.01554121 0.01908929 -0.02264893
1.82664700 27.26719768 8.40758512
0.00043952 0.00018184 0.00022538
-0.02046153 -0.00556940 0.01360960
10.11462962 -6.18276894 -2.02315293
-0.00026411 -0.00008136 0.00012373
-0.00850270 0.00695367 -0.00155796
-8.83789117 0.50927169 5.85798940
0.00020085 0.00026907 0.00019327
0.01791173 0.03378244 -0.03213454
20.50070708 10.67584014 8.78304742
-0.00028529 0.00002753 0.00003238
-0.00281821 -0.01740374 0.00833071
-2.83162640 -2.16212911 -27.17283460
0.00042192 0.00008090 -0.00017503
-0.01782229 -0.01078576 0.04413434
-14.28675586 6.03870725 7.39636971
-0.00005716 0.00015549 0.00031419
0.00446051 -0.00726581 -0.00805681
-9.97454907 7.14431361 -2.68220744
0.00030718 0.00019861 0.00010727
0.01365340 0.00098834 -0.01455328
-1.64646399 -15.83505782 24.14863547
-0.00039616 0.00006144 -0.00050462
-0.03392353 0.01777172 0.01253816
-2.56872220 6.40350043 -6.46973586
-0.00009406 -0.00016286 0.00008902
-0.03014456 0.01714560 0.00102411
-20.44967134 31.11234487 4.62952988
0.00052651 0.00002139 -0.00009998
0.00288640 -0.01946254 -0.03196635
7.56605741 -0.00035722 8.12722334
-0.00003266 0.00011386 -0.00025722
0.01268851 0.01211304 0.03467435
5.45273526 11.24893523 -13.94536116
0.00025412 0.00012243 0.00004475
0.04507283 -0.02808721 0.07298442
15.90997945 3.24005099 -1.95866108
-0.00033131 -0.00037278 -0.00004575
0.00581183 0.04185305 0.00807933
-4.05454143 13.62764368 -1.29673791
-0.00026176 0.00001968 0.00041981
-0.01005793 -0.01524600 0.02684233
4.57071552 12.80966371 3.32176849
0.00006557 -0.00028297 -0.00008170
-0.01554850 -0.05061564 0.00298920
24.80439174 -11.83807967 -9.45839679
-0.00005382 0.00011698 -0.00000472
0.01237287 -0.00095827 -0.02174401
16.42166036 -3.96624763 -0.33971839
-0.00022518 0.00016490 -0.00014717
0.03582817 -0.00787500 0.00323669
12.90079085 7.88434773 9.82398160
0.00014326 -0.00012962 0.00019822
0.02294954 0.00251972 -0.02849968
1.81034153 -13.76265489 17.71057249
-0.00044197 -0.00009337 -0.00008777
-0.01051125 -0.01640520 -0.00744718
-4.42858378 -0.58858628 -14.66734142
0.00002392 -0.00014021 0.00016005
-0.01723889 -0.00563396 0.05128970
14.93011271 -8.25742410 -9.14954477
0.00023040 0.00030866 0.00031129
0.03175195 0.04092976 0.04316041
8.94487021 -6.49393492 8.49280045
-0.00041377 -0.00038545 0.00022950
-0.03374524 0.02228686 0.00226917
-21.35259501 2.24399750 22.55061799
-0.00002027 -0.00003871 0.00009130
0.02033252 0.02954110 -0.02357228
25.86153267 -3.06827852 -7.67276800
-0.00003334 -0.00020952 -0.00043799
-0.00749349 -0.00140170 0.00337463
9.84866813 -14.10719302 -7.62368015
-0.00011375 -0.00008184 -0.00016770
0.00001252 -0.01506341 -0.00919603
-6.17431952 -12.02764481 16.69420117
-0.00048221 -0.00047046 0.00008210
0.00240917 0.02972148 0.00102522
8.24723231 3.43567268 -29.54146823
-0.00017201 0.00006901 0.00014517
0.01422642 -0.00964441 -0.00182284
11.01483922 15.70075334 15.12111387
-0.00028954 -0.00027722 -0.00007330
-0.00802377 -0.01572247 -0.00010881
28.42994080 6.10361362 -3.01425232
0.00024624 -0.00020345 -0.00002134
0.01676653 -0.00434892 -0.00394706
5.25925879 -31.44630039 -3.34563955
-0.00000735 0.00042881 -0.00006249
0.00878758 -0.00088519 -0.00523537
4.21379689 -31.46508279 -0.60771012
-0.00079613 -0.00067038 -0.00033982
0.00018121 -0.00164952 0.01056071
-11.78391664 -4.00461217 -8.51716739
0.00059934 0.00016732 0.00063610
-0.00398850 0.01532000 -0.01226267
-12.52211928 -2.24443319 -10.81052075
-0.00058121 0.00047670 -0.00028046
-0.00189436 -0.00171627 -0.00944940
-38.76802826 2.09434539 1.16617835
-0.00055605 0.00031474 -0.00050615
0.02467638 0.00280829 -0.02010781
-37.81135933 4.07293371 -0.99747231
0.00014829 0.00002973 0.00018163
0.00554155 -0.02523125 0.01349142
-10.80207011 -5.69873526 3.33060313
0.00013354 -0.00012344 0.00010856
-0.01371968 0.03460546 0.01755262
-9.92136458 -2.94972931 3.65583258
-0.00011225 0.00019172 -0.00033836
-0.00402461 0.00787570 0.00374333
5.54897546 -2.25470537 9.15952390
-0.00006479 0.00054546 -0.00126297
0.00410101 0.00247981 -0.00462171
4.24558457 -3.57044457 11.32006372
0.00065251 0.00069550 0.00018434
0.00472555 -0.01074414 -0.00167844
-33.36780483 -2.21356964 -0.68149126
0.00018969 0.00011395 -0.00058228
-0.00614313 0.00505769 0.00353157
-32.49696829 0.52888673 -0.27099323
0.00032709 -0.00001533 0.00087347
-0.02232376 0.03668114 0.01748171
14.95962651 13.04908708 -15.79411250
0.00003573 -0.00095720 0.00105285
-0.01360911 0.01314065 -0.03112019
16.85242439 12.02107717 -13.98928179
0.00062785 -0.00031417 0.00084239
-0.01124328 -0.00269537 0.00557045
-8.33845027 7.16711650 1.30188317
-0.00051827 -0.00009386 -0.00003076
0.00853185 -0.02072401 0.00936524
-6.92556367 4.46159262 1.22099657
-0.00057813 -0.00001821 0.00012035
-0.02652304 0.03555684 0.02260313
6.16130337 12.61418467 -6.82045694
-0.00019840 -0.00053847 0.00031356
-0.02273379 -0.00292411 -0.01953399
8.65895480 13.65526332 -6.14924739
0.00040762 -0.00035800 -0.00054484
0.02545600 0.01794211 -0.00850246
8.97098217 9.10483334 -20.79575055
-0.00008838 -0.00040778 -0.00001944
-0.00294251 -0.00154030 -0.00116230
10.80518441 10.06773110 -18.79715783
0.00011165 0.00053608 -0.00103481
-0.02702958 0.00727910 -0.00421235
24.29213630 16.06869792 -2.52809621
-0.00064035 -0.00091081 -0.00053627
0.02048643 -0.02046732 -0.00736735
24.18740069 18.99418947 -2.18818100
0.00118537 -0.00035819 -0.00040066
0.01005184 -0.00690519 -0.00315967
2.05835910 17.44584854 -20.79172413
-0.00077375 -0.00073880 0.00003982
-0.01312179 0.01131283 -0.04471030
3.30470536 15.33924563 -19.19661134
-0.00124174 -0.00073289 0.00010670
-0.01694602 0.01618024 0.00861516
13.16968209 -2.05311949 -6.82918955
-0.00092206 0.00175579 0.00018431
0.00353324 0.01248609 0.01053967
12.86264343 -0.92163590 -4.09018993
-0.00020928 -0.00041246 0.00037960
-0.00584688 -0.00428943 0.00502018
-17.42963864 -3.17202216 3.57770596
-0.00116162 0.00034357 0.00002763
-0.00319170 -0.00241289 -0.00015484
-14.52604205 -2.79642534 2.93433891
0.00082412 0.00105973 0.00065541
-0.01858958 0.01147463 0.01170357
-16.48128139 -0.01430268 19.99220125
0.00048046 0.00023442 -0.00083683
0.00602446 -0.00223075 0.00786031
-15.67510261 -2.81387059 19.69596232
0.00014071 -0.00095731 -0.00101069
0.02866846 -0.01901333 0.00913234
-0.81730718 0.68929176 -4.93674707
0.00033703 -0.00075497 -0.00054867
-0.00585099 -0.01007809 -0.00350494
-0.98687953 3.54391957 -4.76737956
0.00077962 0.00012158 0.00013296
0.01475231 -0.00917029 -0.01274439
23.29983163 -8.75838329 -9.17959277
0.00104010 0.00026124 -0.00019996
-0.02820545 0.01764463 0.00163253
23.63097228 -6.07239510 -8.26346266
0.00048716 -0.00037845 -0.00044731
-0.02254745 0.00156692 -0.00778135
0.62906308 -5.92940995 5.83170947
-0.00050314 -0.00055855 -0.00021599
-0.00012462 0.00558163 0.00667002
-0.44345699 -5.24983649 8.59492868
-0.00028770 0.00017830 0.00011055
0.00884898 0.00331045 -0.00193695
-0.96451068 -3.03456210 -18.64948874
-0.00024251 0.00082612 0.00000683
-0.02192184 0.01651434 -0.01833420
-3.46676245 -2.00813537 -20.22028846
0.00021809 0.00018591 -0.00079790
0.01520980 -0.01076686 0.00762799
3.01305397 2.79399046 -10.94772012
-0.00010972 -0.00134248 -0.00024480
-0.01808455 0.01448678 -0.03336097
1.94773711 2.27297932 -8.16352036
-0.00015277 0.00043649 -0.00041524
-0.00714027 0.00877317 0.00390341
-2.33366312 16.81223510 12.60483157
0.00034839 -0.00017056 0.00086504
-0.01146867 0.01393030 -0.00778539
-3.72322838 19.25369391 13.62627636
0.00061396 0.00043542 -0.00011466
0.00612035 -0.02481177 -0.02779210
-4.07503339 6.17703900 -12.65443886
-0.00060389 -0.00032687 0.00200833
-0.00653291 0.01761966 -0.01630546
-3.08844612 3.47974941 -12.20799177
0.00040569 0.00120001 0.00131726
-0.00343276 -0.01194337 -0.00785885
-7.65204142 2.30474315 -7.53766280
-0.00012377 -0.00004629 0.00049945
0.00827872 -0.00889294 0.00563576
-6.69052717 4.02366766 -9.79677441
0.00020727 -0.00095461 0.00111982
-0.02652466 -0.01487901 0.01821765
1.89598448 28.20216169 6.82731768
0.00032677 0.00028821 -0.00060790
-0.00027517 0.00343073 0.00489122
0.10363584 27.49444154 9.09083822
0.00058547 -0.00005807 0.00012452
0.02349038 0.00295119 -0.01178272
10.94170410 -6.61548569 -0.46948696
-0.00055371 -0.00045858 -0.00042298
0.01086216 -0.00675029 0.00937333
8.90056013 -7.52631579 -2.22098372
-0.00028671 0.00033273 -0.00092575
-0.00211115 0.00029533 -0.00256752
-7.10134596 0.11939576 6.40683012
0.00014534 0.00067640 -0.00068346
-0.00328990 -0.00661856 0.00615553
-9.99252989 -0.31664386 6.87623201
0.00096220 -0.00100526 -0.00018965
-0.02523059 -0.02331272 0.02750762
21.41690063 10.46286955 10.35530033
0.00105120 -0.00002742 -0.00011498
0.00064284 -0.01013878 0.00108836
20.59333150 12.45899858 8.64914502
0.00058206 -0.00041830 0.00013125
0.00497311 0.03133350 -0.01370574
-1.68389624 -3.01929029 -25.93410945
0.00074086 -0.00070048 0.00019405
-0.00946389 0.00105874 -0.02200654
-4.50535250 -2.30538563 -26.22177222
-0.00035495 -0.00009656 -0.00022583
0.03183889 0.00607109 -0.02376653
-14.52739722 7.07383674 8.87534245
0.00067204 -0.00011221 0.00063512
-0.00414805 0.00656577 -0.00968973
-14.38870492 7.10512095 5.88447787
-0.00104635 0.00009443 0.00013870
-0.00411438 0.00213885 0.01389369
-11.21434806 6.68543390 -3.95453787
-0.00028256 -0.00064182 0.00053257
-0.00178217 0.00557443 0.00518191
-8.79478494 8.14202780 -3.73213164
0.00078578 0.00050783 0.00021731
-0.00562199 -0.00066876 0.00802228
-1.20311109 -17.48022930 23.52838376
0.00025761 0.00029889 -0.00007950
0.01316653 -0.01769968 -0.00823575
-3.49186032 -15.90908485 24.48959290
0.00141558 0.00076013 -0.00018537
0.02282561 0.00539009 -0.00308524
-3.28451749 5.62298907 -7.99408824
0.00043719 -0.00005718 0.00034564
0.01326222 0.00696450 0.00733139
-3.89451723 7.72061365 -6.04894738
0.00078196 0.00005138 -0.00040725
0.01578185 -0.01613678 -0.00392156
-21.62817062 30.15657320 3.42932465
0.00075185 0.00056867 -0.00181080
0.01051294 0.00593780 0.00857027
-21.57752644 32.28199393 5.36638217
0.00108961 0.00026533 -0.00057748
-0.01810407 0.01280529 0.02232857
6.93541974 -0.30116775 6.47397444
0.00033723 -0.00052586 -0.00001065
-0.01024665 -0.00000224 -0.03132828
7.03351229 1.65214798 8.72709704
0.00093290 0.00028676 0.00038787
0.00129194 -0.00572667 -0.01328101
6.66900612 12.49047178 -13.27150079
-0.00035509 0.00061756 -0.00037032
-0.00507965 -0.00639943 -0.01252082
4.58118034 12.11604207 -15.13578042
-0.00067625 0.00026613 -0.00013414
-0.03495501 0.03774936 -0.04886965
14.55679925 4.37031499 -2.57694653
-0.00038529 -0.00077658 -0.00110573
0.00526748 -0.00969803 0.00319893
15.42072187 1.55858018 -2.14914326
-0.00068460 -0.00066748 0.00054896
-0.01021019 -0.03109700 -0.00733902
-2.45929958 13.42575214 -0.42005083
0.00021657 0.00023831 -0.00008174
0.00148188 0.00184949 -0.00821355
-5.28128394 13.20677679 0.10660528
-0.00047774 -0.00044786 0.00029528
0.00646194 0.00228148 -0.01890625
3.61268018 11.01637715 3.68666371
0.00014294 -0.00084591 -0.00000248
0.01609539 0.03843193 -0.01156323
6.34743707 12.41746345 3.57874626
-0.00075038 -0.00004963 0.00025347
0.00195609 -0.00186301 -0.00339347
25.01041689 -13.54608421 -8.77495388
0.00079704 0.00028106 0.00010257
-0.00152012 0.01530374 -0.00548695
25.70959869 -11.68935761 -11.13220897
0.00148527 0.00055391 -0.00038570
-0.00659518 -0.00847592 0.01814120
14.71147711 -3.85797517 -0.85877131
0.00016467 -0.00048196 -0.00010724
-0.00705810 -0.00042505 -0.00414624
17.19972829 -5.63845007 -0.79345381
0.00068128 -0.00031844 -0.00014470
-0.01514551 0.01966931 0.00140644
11.80420749 7.95174069 11.20264025
0.00028040 0.00069159 -0.00002450
-0.02279321 0.00099402 0.03944498
12.87360027 9.56179060 9.10776852
-0.00060908 0.00030407 0.00027805
0.00799015 0.00640089 -0.00049893
0.16409006 -14.22432500 16.97851533
-0.00018815 -0.00037901 0.00027903
0.00838589 -0.00900840 0.00154370
1.58408876 -12.03367179 18.08692617
0.00055847 -0.00059254 0.00033378
0.00482128 0.02329244 0.00810186
-4.29948189 -2.01763873 -13.46238815
0.00058891 -0.00127164 0.00038879
-0.00204067 0.01353450 -0.00674300
-3.18733795 -0.87141638 -15.88013724
0.00002314 0.00115383 0.00052737
0.02910707 -0.00670229 -0.03764392
14.90703877 -8.45222257 -10.93919749
-0.00126009 0.00132645 0.00010628
-0.00303821 -0.00155998 -0.02740741
15.96012149 -6.60574830 -8.81374874
-0.00013074 0.00065394 -0.00067636
-0.02073796 -0.04178799 -0.01858052
7.28036704 -5.64426553 9.04428805
0.00005805 -0.00068397 0.00067472
0.02505334 -0.01447594 -0.00370526
9.33815391 -5.37173797 7.07278394
-0.00000921 -0.00004883 -0.00018562
0.00711975 -0.01165092 0.00454641
-20.77016101 2.38280438 20.75410551
-0.00015626 0.00031995 0.00056670
-0.01684353 -0.01401419 0.02676307
-21.94488018 0.61072907 23.03118968
0.00063276 0.00003278 0.00078405
-0.00681075 -0.01618410 -0.00165130
26.40164821 -2.80204053 -5.92460071
-0.00021911 -0.00036816 -0.00028119
0.00141082 0.00474139 -0.00467084
25.36946223 -1.39915829 -8.26687079
-0.00048890 -0.00051963 0.00035825
0.00335152 -0.00028209 0.00395867
9.17354046 -15.90596090 -7.63292434
-0.00032944 -0.00009012 0.00012591
0.00094042 0.02846717 0.00007243
8.59469511 -12.91362476 -7.02019260
0.00026380 -0.00007988 -0.00065854
0.00221089 -0.00714349 0.00211178
-5.35950607 -10.78847427 17.84591454
-0.00023949 -0.00003357 0.00044957
-0.00679454 -0.01500004 -0.00631721
-6.75879594 -10.89068311 15.29498796
-0.00134744 -0.00051954 0.00073858
0.00819456 -0.01526647 0.00991229
9.81144259 2.47975939 -29.85685647
-0.00005624 -0.00140257 0.00127001
-0.01625461 0.00340145 -0.00147666
6.91522263 2.78532588 -30.63084244
0.00020424 0.00171217 -0.00002461
-0.00296608 -0.00324271 0.00445749
12.47650069 14.64994432 14.49545051
0.00025722 0.00008762 0.00112215
-0.00495197 0.01310404 -0.00098558
11.27358678 16.27646142 16.82995244
0.00034141 -0.00006739 0.00116640
0.00664901 -0.00384060 0.00795057
28.81558075 5.05815125 -4.49833008
0.00043351 0.00002258 -0.00002873
-0.00707715 0.00831867 0.00690889
26.77096166 6.82745785 -3.17788412
0.00052029 -0.00092733 -0.00089558
-0.01273388 0.00327056 -0.01058064
-9.97699056 4.92620624 6.97301091
0.00002041 0.00000824 -0.00009487
0.00249379 -0.01355141 -0.01266045
-8.65283196 13.21905776 2.56673544
-0.00005219 0.00008410 0.00007175
0.00293366 -0.00063476 -0.00614416
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09450773
0.33242442
442.93887799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3727166730 (a.u.)
total exchange computation time: 2.6681351662 s
-154.1615134477
-931.42466086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3722673425 (a.u.)
total exchange computation time: 2.6714160442 s
-154.1663404400
Anderson extrapolation: theta=1.3415896887 (1.3415896887)
-931.42489012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3715722303 (a.u.)
total exchange computation time: 2.6717438698 s
-154.1735800499
Anderson extrapolation: theta=0.0509531166 (0.0509531166)
-931.42502585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3714622775 (a.u.)
total exchange computation time: 2.6679000854 s
-154.1746183330
Anderson extrapolation: theta=1.8542188416 (1.8542188416)
-931.42503066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3712334423 (a.u.)
total exchange computation time: 2.6703710556 s
-154.1767400891
Anderson extrapolation: theta=0.2177124448 (0.2177124448)
-931.42503542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3711758526 (a.u.)
total exchange computation time: 2.6722018719 s
-154.1772481329
Anderson extrapolation: theta=1.8334318395 (1.8334318395)
-931.42503634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3710887614 (a.u.)
total exchange computation time: 2.6700780392 s
-154.1779999323
Anderson extrapolation: theta=0.2944425144 (0.2944425144)
-931.42503751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3710828593 (a.u.)
total exchange computation time: 2.6697480679 s
-154.1780375356
Anderson extrapolation: theta=1.2808140077 (1.2808140077)
-931.42503785
-72.114845 22.710301 99.492695
559.306708 1032.288866 -412.276066
487.191863 1054.999167 -312.783371
1203.417048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3710908056 (a.u.)
total exchange computation time: 2.6699728966 s
678.99471618
-1083.61882035
89.68902827
-389.26278495
-174.85608650
78.18573622
551.60419304
0.00000000
-931.42503815
3.90223700 -30.83586050 -2.28243409
0.00003831 0.00032346 0.00000323
-0.00996424 -0.00373515 0.00238504
-11.88873974 -2.20004938 -9.12500159
0.00036156 0.00021302 -0.00009678
0.00386091 -0.00477337 0.01374928
-37.40208439 2.38356060 -0.11001593
-0.00013801 0.00027259 0.00013745
-0.02652906 0.01178164 0.00956255
-11.46673017 -3.92584839 3.87038105
-0.00037353 -0.00013089 -0.00003517
0.02486863 -0.04493664 -0.01905543
4.70518428 -3.84693681 9.55307202
-0.00039404 -0.00020202 -0.00031071
-0.00705955 0.00507024 0.00647420
-31.94018357 -1.07247716 -0.68038189
0.00021635 0.00050310 0.00016812
0.00729676 -0.03501932 -0.01461677
15.07245088 12.56962987 -14.08452637
-0.00064581 0.00016851 -0.00000153
0.03336690 -0.02097367 0.04183913
-7.73209612 5.80894462 2.43172645
0.00003068 0.00023884 0.00008901
0.01847273 -0.01512841 -0.02633146
7.39174762 12.52434611 -5.53721045
0.00032588 0.00019624 -0.00016206
-0.00306772 -0.01958462 0.01378492
8.95006194 9.78381580 -19.09550653
-0.00021051 0.00021976 0.00023612
0.02622502 -0.00911516 -0.00044335
23.22247799 17.43290971 -2.11650734
0.00029550 -0.00037216 -0.00002944
-0.03316993 0.03986388 0.01261930
2.18752446 16.93036915 -19.12297388
0.00023401 -0.00008665 -0.00047759
0.02119414 -0.02756175 0.04240133
14.08608944 -1.49119141 -5.30303378
0.00007224 0.00023205 -0.00012121
-0.00092480 -0.00399501 -0.02443518
-16.13136093 -1.89338922 3.34469032
0.00012758 0.00027986 -0.00035190
0.01783972 -0.00155773 0.00092548
-17.02734933 -1.71616864 19.46826059
0.00014709 -0.00013657 -0.00023093
-0.02747785 0.01903016 -0.01490183
0.23362637 2.16910367 -5.19165878
0.00012324 -0.00010444 0.00025150
-0.00999946 0.01567770 0.01007291
22.26782990 -7.15531938 -8.98727424
0.00017734 -0.00001291 0.00002448
0.05475700 -0.02123889 0.01187284
-0.43470627 -6.45187813 7.23958233
-0.00004523 0.00016146 -0.00003448
-0.01525837 -0.01387968 0.00268018
-1.92050407 -1.53176622 -19.27254018
0.00025816 0.00009259 -0.00001039
0.00157740 -0.00618901 0.00363427
3.38512005 2.28840704 -9.30087619
-0.00019118 -0.00016238 0.00006914
0.02712850 -0.01922374 0.02940785
-3.65185026 18.08919130 12.09091394
-0.00023424 -0.00024511 0.00012019
0.00295232 0.01126492 0.03766735
-3.65543718 4.99195925 -11.39303635
-0.00029899 -0.00001244 0.00008330
0.00532836 -0.01056385 0.03300552
-8.21841010 3.29405322 -8.93505100
0.00030410 -0.00018797 -0.00023338
0.01235593 0.01473958 -0.01689184
1.83316087 27.26990381 8.41101833
0.00042947 0.00017962 0.00023099
-0.01861689 -0.00308536 0.00820729
10.11063524 -6.18396244 -2.02130297
-0.00026864 -0.00007721 0.00012201
-0.00914565 0.00918281 -0.00514576
-8.83480932 0.51343801 5.86076455
0.00020941 0.00028669 0.00017655
0.01538357 0.03475400 -0.03290324
20.49641683 10.67618592 8.78356524
-0.00028618 0.00001778 0.00003761
-0.00062989 -0.02048502 0.01199594
-2.82536638 -2.16095721 -27.17528978
0.00041277 0.00007476 -0.00015145
-0.01775713 -0.01307814 0.04754348
-14.28759602 6.04101155 7.40105156
-0.00005490 0.00015180 0.00030986
0.00432361 -0.00706311 -0.00881053
-9.96988873 7.14729661 -2.68065447
0.00031412 0.00019919 0.00009934
0.01333322 0.00126850 -0.01629474
-1.65253731 -15.83406760 24.14111449
-0.00041039 0.00007116 -0.00049858
-0.02138432 0.02002481 0.01097880
-2.57024933 6.40112360 -6.46839655
-0.00010858 -0.00015418 0.00009005
-0.02632005 0.01662155 0.00298404
-20.44176261 31.11259066 4.62790688
0.00052816 0.00001049 -0.00011741
0.00354301 -0.02291306 -0.03583361
7.56561641 0.00139736 8.12349882
-0.00002588 0.00012001 -0.00023872
0.01367740 0.01179629 0.03727398
5.45672098 11.25066332 -13.94440841
0.00027574 0.00010897 0.00008045
0.03896978 -0.02426281 0.06584919
15.90503222 3.23462072 -1.95931622
-0.00032881 -0.00035211 -0.00004191
0.00390520 0.03854380 0.00686531
-4.05850666 13.62788010 -1.29033715
-0.00026674 0.00001184 0.00043363
-0.00930977 -0.01524673 0.02687192
4.57163908 12.80522386 3.32055457
0.00005595 -0.00030895 -0.00008029
-0.02185776 -0.05039631 0.00247797
24.80363224 -11.83632861 -9.45855140
-0.00004666 0.00011671 -0.00001716
0.01546809 -0.00010613 -0.02664962
16.41842088 -3.96380444 -0.34191342
-0.00020540 0.00016000 -0.00014549
0.04108758 -0.01120200 0.00327664
12.90302835 7.88241315 9.82684499
0.00015507 -0.00012746 0.00018312
0.02296798 0.00587658 -0.03020600
1.80367148 -13.76411866 17.70922725
-0.00044656 -0.00010286 -0.00009155
-0.00735360 -0.02052032 -0.00726560
-4.42829143 -0.59071114 -14.66474285
0.00001455 -0.00014427 0.00018797
-0.01919325 -0.01014066 0.05727483
14.93369115 -8.25263632 -9.14470888
0.00024666 0.00032961 0.00033272
0.03148853 0.04055813 0.04017062
8.93853343 -6.49963069 8.49625175
-0.00043030 -0.00037374 0.00022982
-0.03052779 0.02323851 -0.00104739
-21.35282068 2.24353076 22.55189660
-0.00001005 -0.00002327 0.00008002
0.01943563 0.03049697 -0.02029656
25.86100361 -3.07142666 -7.67932482
-0.00003695 -0.00021085 -0.00043575
-0.00651622 -0.00378879 0.00533394
9.84696191 -14.10847880 -7.62623117
-0.00011327 -0.00009010 -0.00017272
0.00184642 -0.01702944 -0.01030129
-6.18154337 -12.03458706 16.69543657
-0.00048054 -0.00045478 0.00008357
0.00406403 0.03125084 0.00468943
8.24470701 3.43667057 -29.53929777
-0.00016280 0.00006406 0.00014505
0.02157578 -0.00958739 0.00138945
11.01046510 15.69653433 15.12001393
-0.00029322 -0.00028434 -0.00007073
-0.00626248 -0.01194844 0.01012609
28.43369903 6.10054508 -3.01458761
0.00025540 -0.00020580 -0.00002339
0.01886822 -0.00478543 -0.00405097
5.25941787 -31.43989544 -3.34673731
0.00002878 0.00042491 -0.00008355
0.00889854 -0.00101986 -0.00507411
4.20186050 -31.47518897 -0.61248376
-0.00079452 -0.00067739 -0.00029544
0.00060484 -0.00178583 0.01115968
-11.77504881 -4.00163294 -8.50800171
0.00058231 0.00023158 0.00058343
-0.00434720 0.01613554 -0.01352011
-12.53089544 -2.23733523 -10.81501714
-0.00058587 0.00046873 -0.00031049
-0.00038984 -0.00218459 -0.00525361
-38.77561291 2.09915253 1.15796999
-0.00045659 0.00032534 -0.00058609
0.02401409 0.00238164 -0.01902763
-37.80896517 4.07260642 -0.99433450
0.00017041 -0.00007135 0.00023562
0.00528625 -0.02424404 0.01293679
-10.80048735 -5.69952651 3.33276938
0.00007670 0.00001769 0.00017992
-0.01410548 0.03447888 0.01737740
-9.92317162 -2.94661218 3.65087181
-0.00013400 0.00022054 -0.00032227
-0.00662568 0.00622995 0.00413732
5.54812926 -2.24644749 9.14043772
-0.00005417 0.00054344 -0.00127837
0.00109747 -0.00347007 -0.00291623
4.25551700 -3.56034126 11.32277741
0.00067263 0.00065086 0.00017288
0.00512623 -0.01110981 -0.00393075
-33.36514773 -2.21170545 -0.69011718
0.00016770 0.00013751 -0.00056739
-0.00462073 0.00647785 0.00375541
-32.49274605 0.52978085 -0.25735547
0.00023374 0.00013914 0.00094657
-0.02337285 0.03893345 0.01830267
14.95974539 13.03513171 -15.77927333
-0.00002093 -0.00089726 0.00090242
-0.01412400 0.01620121 -0.04251657
16.86149756 12.01628205 -13.97647530
0.00056404 -0.00031952 0.00086403
-0.01999277 0.00007368 0.00502611
-8.34596286 7.16507348 1.30170873
-0.00048338 -0.00017814 0.00000723
0.00854699 -0.02053045 0.00923208
-6.93504844 4.46240911 1.22349450
-0.00068511 0.00012669 0.00021196
-0.02584367 0.03537136 0.02224101
6.15763076 12.60601800 -6.81635219
-0.00028989 -0.00054998 0.00023420
-0.02205098 -0.00271005 -0.01931345
8.66584911 13.65044319 -6.15768053
0.00051196 -0.00028334 -0.00058117
0.02562271 0.01860102 -0.00928294
8.96956632 9.09866946 -20.79607771
-0.00010180 -0.00041146 -0.00001767
-0.00362885 -0.00026311 0.00202580
10.80603092 10.07599529 -18.81280901
0.00000027 0.00056596 -0.00105000
-0.02749199 0.00734821 -0.00322450
24.28315884 16.05440853 -2.53636594
-0.00055671 -0.00099383 -0.00056624
0.02045307 -0.02016865 -0.00730436
24.20548920 18.98860503 -2.19428766
0.00122291 -0.00039245 -0.00041306
0.00832600 -0.00986471 -0.00291222
2.04635070 17.43511322 -20.79249685
-0.00082790 -0.00069055 -0.00015307
-0.01338420 0.01230308 -0.04971236
3.28556001 15.32874810 -19.19474683
-0.00130709 -0.00066756 0.00014020
-0.01504331 0.01579805 0.00778501
13.15595945 -2.02640002 -6.82610191
-0.00090736 0.00180428 0.00022318
0.00366398 0.01125051 0.00848684
12.85932502 -0.92795425 -4.08434205
-0.00022826 -0.00043057 0.00039825
-0.00344502 -0.00457382 0.00410906
-17.44716080 -3.16694262 3.57811569
-0.00116288 0.00034061 0.00002424
0.00257688 0.00096789 -0.00150700
-14.51424992 -2.78017773 2.94452869
0.00074638 0.00110333 0.00070241
-0.01946483 0.00986411 0.01130316
-16.47388990 -0.01085474 19.97988970
0.00050470 0.00022100 -0.00080506
0.00584290 -0.00433812 0.00768910
-15.67211345 -2.82881293 19.68108176
0.00025105 -0.00102830 -0.00097431
0.02534221 -0.01573490 0.00867520
-0.81243097 0.67765839 -4.94508458
0.00031415 -0.00079081 -0.00056265
-0.00535103 -0.00746594 -0.00333805
-0.97473324 3.54546221 -4.76577564
0.00083618 0.00008457 0.00008227
0.01293524 -0.00894568 -0.01207022
23.31456886 -8.75392394 -9.18254209
0.00092196 0.00033342 -0.00019346
-0.02962779 0.01768783 0.00154549
23.63758881 -6.07802380 -8.27041077
0.00039592 -0.00036891 -0.00047777
-0.02211545 0.00310209 -0.00712890
0.62151218 -5.93761709 5.82867407
-0.00050072 -0.00053284 -0.00019153
0.00130971 0.00700305 0.00530032
-0.44750136 -5.24706061 8.59652751
-0.00025078 0.00019088 0.00010032
0.00922270 0.00285189 -0.00307058
-0.96882009 -3.02166419 -18.64994818
-0.00032662 0.00088443 -0.00006440
-0.01924895 0.01202546 -0.01652935
-3.46302499 -2.00567669 -20.23202316
0.00028418 0.00014317 -0.00076363
0.01714058 -0.01015313 0.00914754
3.01085400 2.77429721 -10.95241436
-0.00018315 -0.00128385 -0.00038100
-0.01785745 0.01421051 -0.03331184
1.94522683 2.27979558 -8.16962940
-0.00018519 0.00047176 -0.00039626
-0.00873200 0.00849086 0.00539102
-2.32878869 16.81010362 12.61756857
0.00029761 -0.00011093 0.00083042
-0.01339007 0.01525993 -0.00915979
-3.71383137 19.25946494 13.62370488
0.00063750 0.00033337 -0.00022897
0.00539845 -0.02514469 -0.02816326
-4.08429191 6.17267583 -12.62481354
-0.00063695 -0.00023759 0.00192192
-0.00965161 0.02608292 -0.02599494
-3.08246590 3.49738358 -12.18847371
0.00039849 0.00113373 0.00127402
-0.00009147 -0.02050289 -0.01330579
-7.65364421 2.30377630 -7.52999832
-0.00009274 -0.00007935 0.00051796
0.00690761 -0.00729097 0.00342215
-6.68823086 4.00889252 -9.77941885
0.00010800 -0.00100988 0.00118731
-0.02207261 -0.01217304 0.01481915
1.90087754 28.20658998 6.81834901
0.00032477 0.00029659 -0.00057808
-0.00070302 0.00067086 0.00970976
0.11313768 27.49366098 9.09234501
0.00067810 -0.00004522 0.00007728
0.02185374 0.00333718 -0.01134337
10.93373129 -6.62257121 -0.47554441
-0.00050620 -0.00048839 -0.00037780
0.01239716 -0.00784320 0.01274091
8.89619479 -7.52131578 -2.23494861
-0.00029696 0.00033182 -0.00093604
-0.00290755 -0.00074366 -0.00247164
-7.09926670 0.12933891 6.39676684
0.00013631 0.00064794 -0.00065652
-0.00112731 -0.00731047 0.00703054
-9.97886997 -0.33243708 6.87423024
0.00085961 -0.00110115 -0.00007733
-0.02499056 -0.02362648 0.02747377
21.43268839 10.46214757 10.35360903
0.00104945 -0.00006862 -0.00011695
-0.00150345 -0.01002800 -0.00205400
20.60221478 12.45368430 8.65069383
0.00060223 -0.00028398 0.00007428
0.00490134 0.03441324 -0.01418107
-1.67307340 -3.02976505 -25.93187299
0.00069665 -0.00069201 0.00009925
-0.01217318 0.00308697 -0.02439956
-4.50970106 -2.30664800 -26.22588794
-0.00021885 -0.00007134 -0.00032499
0.03478250 0.00627566 -0.02477559
-14.51744372 7.07235471 8.88457236
0.00065500 -0.00008510 0.00059494
-0.00419361 0.00670843 -0.00997886
-14.40452622 7.10660297 5.88698413
-0.00106225 0.00010232 0.00019785
-0.00366870 0.00172192 0.01505826
-11.21864114 6.67597735 -3.94639054
-0.00028474 -0.00061611 0.00055611
0.00071697 0.00701275 0.00633954
-8.78317059 8.14962478 -3.72862617
0.00075811 0.00050170 0.00025105
-0.00792027 -0.00233515 0.00849595
-1.19884347 -17.47628825 23.52693887
0.00031072 0.00022423 -0.00011373
0.01282899 -0.01885004 -0.00851698
-3.46992715 -15.89751777 24.48671782
0.00148517 0.00078007 -0.00019419
0.01123919 0.00436957 -0.00123148
-3.27755321 5.62234472 -7.98867894
0.00048835 -0.00003148 0.00036993
0.01178079 0.00561829 0.00455739
-3.88230429 7.72088993 -6.05517622
0.00084144 -0.00001101 -0.00042182
0.01333362 -0.01440629 -0.00321370
-21.61657076 30.16528518 3.40242532
0.00079675 0.00059553 -0.00176991
0.01146798 0.00721312 0.01144275
-21.56173710 32.28636629 5.35840421
0.00101087 0.00032096 -0.00048432
-0.02044048 0.01442520 0.02327364
6.94016425 -0.30905573 6.47285476
0.00029357 -0.00052426 -0.00014200
-0.01112833 0.00078547 -0.03297141
7.04754535 1.65627385 8.73250810
0.00093738 0.00026223 0.00033117
0.00090000 -0.00627957 -0.01447351
6.66352411 12.49953906 -13.27743921
-0.00037262 0.00059364 -0.00041993
-0.00350073 -0.00530727 -0.01176634
4.56996539 12.12119081 -15.13928996
-0.00081003 0.00041036 -0.00032036
-0.03052966 0.03285113 -0.04228895
14.55118131 4.35836917 -2.59343449
-0.00036201 -0.00081627 -0.00109094
0.00612792 -0.00973264 0.00403966
15.41013994 1.54761508 -2.14113374
-0.00072376 -0.00078749 0.00052018
-0.00895842 -0.02764850 -0.00675101
-2.45600557 13.42938341 -0.42152859
0.00021950 0.00024575 -0.00011544
-0.00005000 0.00179506 -0.00828345
-5.28825199 13.20012881 0.11045507
-0.00044972 -0.00043793 0.00021829
0.00725223 0.00258032 -0.01877653
3.61531742 11.00486613 3.68627210
0.00020898 -0.00068767 -0.00004976
0.01623271 0.03902682 -0.01157680
6.33624137 12.41666188 3.58244434
-0.00073053 -0.00005881 0.00024094
0.00776050 -0.00262854 -0.00274114
25.02232590 -13.54139940 -8.77358348
0.00079045 0.00034275 0.00008059
-0.00170487 0.01489757 -0.00527359
25.73167564 -11.68130870 -11.13743855
0.00145253 0.00051849 -0.00030292
-0.00942957 -0.00886031 0.02237869
14.71373094 -3.86521759 -0.86050703
0.00012917 -0.00048376 -0.00012613
-0.01032233 -0.00045380 -0.00509709
17.20948336 -5.64262392 -0.79558128
0.00061551 -0.00023182 -0.00013711
-0.01704954 0.02273268 0.00231117
11.80771501 7.96214501 11.20348147
0.00018577 0.00069399 0.00013941
-0.02352791 0.00018197 0.04078763
12.86470899 9.56654786 9.11192401
-0.00057495 0.00032461 0.00027656
0.00871274 0.00365085 -0.00023367
0.16152484 -14.23028617 16.98274805
-0.00015754 -0.00041494 0.00028376
0.00659450 -0.00857899 0.00077516
1.59261362 -12.04184620 18.09218107
0.00057592 -0.00048981 0.00036793
0.00371673 0.02699675 0.00861631
-4.29071084 -2.03629855 -13.45676289
0.00057976 -0.00120636 0.00035285
-0.00243648 0.01841721 -0.01085013
-3.18609886 -0.85431432 -15.87338028
0.00014707 0.00112540 0.00036979
0.03155755 -0.00721413 -0.03948997
14.88804435 -8.43237360 -10.93844311
-0.00127311 0.00131931 -0.00000208
-0.00333474 -0.00193668 -0.02563443
15.95752497 -6.59721968 -8.82446354
-0.00021397 0.00048459 -0.00074977
-0.02000381 -0.04110927 -0.01735510
7.28200545 -5.65496873 9.05429532
0.00015698 -0.00074010 0.00065923
0.02337411 -0.01299619 -0.00387626
9.33823391 -5.37282739 7.07013890
0.00001690 -0.00010109 -0.00016037
0.00566263 -0.01392997 0.00781715
-20.77302111 2.38717424 20.76342611
-0.00022312 0.00026185 0.00066987
-0.01588100 -0.01442842 0.02374042
-21.93559744 0.61072484 23.04289982
0.00060474 -0.00003419 0.00077680
-0.00690780 -0.01660039 -0.00189825
26.39840484 -2.80741759 -5.92896164
-0.00021329 -0.00034930 -0.00030111
0.00143421 0.00449065 -0.00508160
25.36223143 -1.40696133 -8.26137572
-0.00047714 -0.00051504 0.00037180
0.00240567 0.00252659 0.00267517
9.16862768 -15.90644038 -7.63103347
-0.00032458 0.00002609 0.00012592
0.00143873 0.02841713 -0.00006547
8.59871992 -12.91504186 -7.03000594
0.00026858 -0.00010491 -0.00064757
0.00012860 -0.00511072 0.00325565
-5.36330661 -10.78943739 17.85246451
-0.00027047 -0.00009950 0.00041885
-0.00837213 -0.01727717 -0.00871847
-6.77875648 -10.89894402 15.30637042
-0.00131399 -0.00058008 0.00077665
0.00818010 -0.01436997 0.00872194
9.81010087 2.45882500 -29.83785156
-0.00013089 -0.00138371 0.00126386
-0.02028837 0.00583049 -0.00153590
6.91819531 2.81090904 -30.63107499
0.00018487 0.00169355 -0.00001313
-0.00651263 -0.00587147 0.00116195
12.48020721 14.65166014 14.51225258
0.00023789 0.00013990 0.00111529
-0.00450722 0.01248586 -0.00237457
11.27891171 16.27533284 16.84769205
0.00036400 -0.00008859 0.00118059
0.00440914 -0.00653347 -0.00100237
28.82186657 5.05874483 -4.49854926
0.00040603 0.00005494 -0.00000139
-0.00637485 0.00752309 0.00647160
26.77837585 6.81364811 -3.19164205
0.00046215 -0.00091051 -0.00093806
-0.01572941 0.00496543 -0.01021503
-9.97667769 4.92629343 6.97155381
0.00002130 0.00000342 -0.00009939
0.00246709 -0.01335558 -0.01257414
-8.65360971 13.22031822 2.56780095
-0.00005152 0.00008395 0.00007029
0.00285731 -0.00065889 -0.00641738
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09448459
0.33055356
440.44604384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3722888251 (a.u.)
total exchange computation time: 2.6679110527 s
-154.1565333782
-931.42353570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3718146818 (a.u.)
total exchange computation time: 2.6665010452 s
-154.1615279600
Anderson extrapolation: theta=1.3419473215 (1.3419473215)
-931.42377061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3710877884 (a.u.)
total exchange computation time: 2.6685261726 s
-154.1690056120
Anderson extrapolation: theta=0.0509087286 (0.0509087286)
-931.42390969
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3709775248 (a.u.)
total exchange computation time: 2.6664829254 s
-154.1700674865
Anderson extrapolation: theta=1.8513141651 (1.8513141651)
-931.42391461
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3707489285 (a.u.)
total exchange computation time: 2.6692049503 s
-154.1722364021
Anderson extrapolation: theta=0.2171776298 (0.2171776298)
-931.42391944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3706918296 (a.u.)
total exchange computation time: 2.6691420078 s
-154.1727577740
Anderson extrapolation: theta=1.8336331362 (1.8336331362)
-931.42392036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3706057004 (a.u.)
total exchange computation time: 2.6673338413 s
-154.1735341341
Anderson extrapolation: theta=0.2942268032 (0.2942268032)
-931.42392152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3706001539 (a.u.)
total exchange computation time: 2.6717519760 s
-154.1735779412
Anderson extrapolation: theta=1.2825391498 (1.2825391498)
-931.42392185
-72.065581 22.668992 99.509618
559.336613 1032.270604 -412.271695
487.271032 1054.939596 -312.762077
1203.391343
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3706085837 (a.u.)
total exchange computation time: 2.6672790051 s
678.99721701
-1083.60810321
89.68280524
-389.27005368
-174.85517891
78.17845600
551.60419304
0.00000000
-931.42392213
3.90277326 -30.83102297 -2.28237649
0.00003326 0.00032142 0.00000428
-0.00970092 -0.00420018 0.00170283
-11.88330140 -2.19687245 -9.12640022
0.00036325 0.00021051 -0.00009049
0.00269723 -0.00499289 0.01070704
-37.40425682 2.38769482 -0.10791727
-0.00015122 0.00027831 0.00014219
-0.02486171 0.01047139 0.00885083
-11.47223722 -3.92798509 3.86978001
-0.00036002 -0.00015336 -0.00004494
0.02767096 -0.04243289 -0.01894403
4.69924652 -3.84994759 9.54843640
-0.00039700 -0.00019788 -0.00030723
-0.00447902 0.01104381 0.00702617
-31.93691015 -1.06506572 -0.67791651
0.00021977 0.00048463 0.00016046
0.00599555 -0.03680799 -0.01515044
15.06289240 12.57207667 -14.08438792
-0.00062662 0.00015649 0.00002284
0.04128010 -0.02580060 0.05294235
-7.73156465 5.81246890 2.43296004
0.00003994 0.00023111 0.00007578
0.01754753 -0.01492303 -0.02511126
7.39662395 12.52721419 -5.53958817
0.00032394 0.00018614 -0.00015506
-0.00447130 -0.01968748 0.01344421
8.94700552 9.78707709 -19.09196642
-0.00019687 0.00021470 0.00023483
0.02681585 -0.01059070 -0.00459077
23.22678259 17.42748101 -2.11690024
0.00027899 -0.00035116 -0.00002309
-0.03104493 0.04183110 0.01208603
2.19111643 16.92896309 -19.12997419
0.00024456 -0.00010061 -0.00045483
0.01980632 -0.02673873 0.04610215
14.08716949 -1.48772604 -5.30494620
0.00007114 0.00023040 -0.00013293
-0.00337249 -0.00243115 -0.02113428
-16.12937842 -1.88919730 3.33941544
0.00013539 0.00027861 -0.00035099
0.01252260 -0.00330156 0.00261608
-17.02524900 -1.71814376 19.46473911
0.00013408 -0.00012733 -0.00023837
-0.02310286 0.01691378 -0.01402199
0.23543632 2.16759761 -5.18784739
0.00011841 -0.00009726 0.00025646
-0.00875570 0.01222498 0.00921485
22.27070118 -7.15559501 -8.98686118
0.00020547 -0.00002414 0.00003042
0.05465239 -0.02242638 0.01122455
-0.43544360 -6.44950976 7.23907545
-0.00005350 0.00015411 -0.00003247
-0.01690868 -0.01471242 0.00514739
-1.91662551 -1.53040117 -19.27268202
0.00025774 0.00009063 -0.00000942
-0.00322908 -0.00146828 0.00015396
3.38235706 2.28589722 -9.29972561
-0.00017701 -0.00017198 0.00008347
0.02797527 -0.01813219 0.02629970
-3.65535247 18.08555817 12.09286214
-0.00023212 -0.00023964 0.00013975
0.00529584 0.00998102 0.03838219
-3.65990140 4.99173183 -11.39165951
-0.00029631 -0.00001776 0.00010398
0.00506138 -0.01012249 0.04739038
-8.21380100 3.29129056 -8.93861686
0.00030941 -0.00018165 -0.00024040
0.00830071 0.00981092 -0.01040360
1.83953111 27.27258614 8.41451485
0.00042053 0.00017859 0.00023383
-0.01613393 -0.00088935 0.00284526
10.10657031 -6.18508511 -2.01949271
-0.00027347 -0.00007196 0.00011857
-0.00960684 0.01121983 -0.00823860
-8.83160880 0.51787245 5.86328586
0.00021629 0.00030451 0.00015977
0.01137647 0.03452432 -0.03234416
20.49212172 10.67637366 8.78417560
-0.00028594 0.00000680 0.00004464
0.00156815 -0.02222219 0.01533859
-2.81924336 -2.15988621 -27.17737819
0.00040376 0.00006755 -0.00012639
-0.01726840 -0.01499132 0.04992430
-14.28840283 6.04326137 7.40566544
-0.00005271 0.00014820 0.00030518
0.00417749 -0.00694998 -0.00938029
-9.96512553 7.15028939 -2.67922720
0.00032086 0.00019988 0.00009061
0.01286708 0.00142107 -0.01764871
-1.65877559 -15.83292290 24.13367821
-0.00041769 0.00008182 -0.00049353
-0.00700704 0.02141534 0.00864188
-2.57197951 6.39887500 -6.46703422
-0.00012099 -0.00014584 0.00009215
-0.02194731 0.01579799 0.00514999
-20.43382654 31.11265968 4.62600744
0.00052999 -0.00000192 -0.00013664
0.00357751 -0.02536411 -0.03890850
7.56528093 0.00324295 8.12006185
-0.00001870 0.00012586 -0.00021925
0.01424151 0.01096943 0.03842080
5.46100735 11.25220422 -13.94294765
0.00029377 0.00009773 0.00011198
0.03115007 -0.01941612 0.05675455
15.90011512 3.22948780 -1.95991840
-0.00032733 -0.00033350 -0.00003870
0.00184037 0.03382647 0.00561627
-4.06254372 13.62799890 -1.28372908
-0.00027129 0.00000403 0.00044734
-0.00835537 -0.01513051 0.02644683
4.57239401 12.80039523 3.31935978
0.00004316 -0.00033470 -0.00007917
-0.02787719 -0.04972352 0.00187393
24.80299207 -11.83457837 -9.45891160
-0.00003800 0.00011694 -0.00003196
0.01819823 0.00098558 -0.03089749
16.41549838 -3.96144766 -0.34408317
-0.00018314 0.00015357 -0.00014379
0.04547619 -0.01381427 0.00334973
12.90544304 7.88052390 9.82947534
0.00016656 -0.00012357 0.00016756
0.02170891 0.00924622 -0.03032390
1.79694470 -13.76574073 17.70782597
-0.00044951 -0.00011418 -0.00009517
-0.00413161 -0.02350854 -0.00679663
-4.42814715 -0.59291424 -14.66170242
0.00000460 -0.00015056 0.00021837
-0.01951724 -0.01432015 0.06095724
14.93751252 -8.24753565 -9.13956310
0.00026264 0.00035017 0.00035224
0.03064951 0.03937114 0.03571320
8.93196113 -6.50514717 8.49969497
-0.00044505 -0.00036170 0.00022847
-0.02682189 0.02360075 -0.00420987
-21.35289642 2.24329929 22.55301863
-0.00000043 -0.00000758 0.00007070
0.01797866 0.03053588 -0.01596727
25.86042428 -3.07460403 -7.68584049
-0.00004005 -0.00021341 -0.00043253
-0.00554622 -0.00616100 0.00718700
9.84526994 -14.10989595 -7.62886166
-0.00011180 -0.00009925 -0.00017831
0.00386429 -0.01854455 -0.01145569
-6.18873586 -12.04128823 16.69670814
-0.00047806 -0.00043850 0.00008689
0.00558471 0.03204672 0.00822792
8.24234816 3.43759450 -29.53711660
-0.00014998 0.00005916 0.00014662
0.02828039 -0.00947883 0.00471290
11.00604266 15.69222314 15.11899211
-0.00029603 -0.00028958 -0.00006306
-0.00467494 -0.00841465 0.01966507
28.43760283 6.09743961 -3.01495415
0.00026547 -0.00020825 -0.00002545
0.02028054 -0.00475611 -0.00394359
5.26012231 -31.43355298 -3.34814605
0.00006499 0.00042066 -0.00010367
0.00882412 -0.00106395 -0.00477436
4.18996118 -31.48540460 -0.61657346
-0.00079135 -0.00068465 -0.00024952
0.00094843 -0.00176850 0.01132180
-11.76644740 -3.99766482 -8.49966462
0.00056386 0.00029844 0.00052598
-0.00468524 0.01659167 -0.01460196
-12.53969550 -2.23037116 -10.81983550
-0.00058420 0.00045893 -0.00032314
0.00120772 -0.00261510 -0.00093974
-38.78172583 2.10410564 1.14859550
-0.00036108 0.00033396 -0.00066049
0.02273574 0.00183807 -0.01739157
-37.80624705 4.07079331 -0.99040384
0.00019128 -0.00016738 0.00028681
0.00492819 -0.02276680 0.01212511
-10.79976906 -5.69820469 3.33600063
0.00001880 0.00015692 0.00025008
-0.01423984 0.03367506 0.01696911
-9.92538472 -2.94311323 3.64616461
-0.00016612 0.00024275 -0.00030457
-0.00909551 0.00464311 0.00452461
5.54735033 -2.23840227 9.12117281
-0.00005546 0.00051786 -0.00128672
-0.00173030 -0.00905197 -0.00116966
4.26576360 -3.55091883 11.32525020
0.00069423 0.00060480 0.00015246
0.00544735 -0.01143525 -0.00606468
-33.36277382 -2.20944425 -0.69851294
0.00015177 0.00016672 -0.00055154
-0.00317490 0.00781718 0.00400096
-32.48995624 0.53306106 -0.24259601
0.00013757 0.00029867 0.00102195
-0.02369972 0.03915299 0.01859245
14.95899866 13.02216924 -15.76703984
-0.00007923 -0.00082590 0.00070792
-0.01441450 0.01873180 -0.05269216
16.86934546 12.01149144 -13.96336078
0.00046694 -0.00031426 0.00088327
-0.02753831 0.00250284 0.00439202
-8.35295164 7.16177222 1.30210009
-0.00044890 -0.00026062 0.00004404
0.00833253 -0.01984408 0.00878555
-6.94611707 4.46539337 1.22735550
-0.00078850 0.00026946 0.00030120
-0.02476462 0.03451705 0.02143898
6.15260673 12.59768525 -6.81343108
-0.00037681 -0.00056063 0.00015739
-0.02049638 -0.00250481 -0.01828159
8.67431375 13.64676305 -6.16668259
0.00061537 -0.00020734 -0.00062006
0.02499263 0.01860482 -0.00975288
8.96792807 9.09248946 -20.79628072
-0.00011800 -0.00041000 -0.00000316
-0.00429901 0.00097909 0.00507944
10.80519255 10.08470983 -18.82865780
-0.00011176 0.00059626 -0.00106098
-0.02734915 0.00748462 -0.00215038
24.27543487 16.03888308 -2.54508333
-0.00047479 -0.00107367 -0.00059527
0.01964838 -0.01891257 -0.00690967
24.22408797 18.98241603 -2.20057279
0.00125350 -0.00043821 -0.00042448
0.00664972 -0.01253850 -0.00267590
2.03352203 17.42513192 -20.79631625
-0.00088291 -0.00063984 -0.00036188
-0.01354028 0.01252163 -0.05250229
3.26549272 15.31921878 -19.19240521
-0.00136436 -0.00060437 0.00017019
-0.01299313 0.01513614 0.00689082
13.14246136 -1.99899106 -6.82249413
-0.00089241 0.00184763 0.00025324
0.00365301 0.00997026 0.00622750
12.85579548 -0.93455291 -4.07824234
-0.00023718 -0.00044988 0.00041293
-0.00092074 -0.00488000 0.00307612
-17.46452504 -3.16180376 3.57843305
-0.00114106 0.00035089 0.00001542
0.00810198 0.00406093 -0.00280643
-14.50365072 -2.76332558 2.95541120
0.00066608 0.00113988 0.00074749
-0.01984081 0.00802883 0.01076297
-16.46614031 -0.00767267 19.96804939
0.00052810 0.00019907 -0.00077404
0.00561233 -0.00639675 0.00749723
-15.66757117 -2.84471961 19.66673288
0.00034584 -0.00108423 -0.00094004
0.02105735 -0.01164305 0.00810385
-0.80788271 0.66556746 -4.95362667
0.00029359 -0.00081545 -0.00057596
-0.00471491 -0.00459652 -0.00317463
-0.96179419 3.54645661 -4.76491145
0.00088462 0.00004929 0.00003462
0.01077561 -0.00832074 -0.01125634
23.32749031 -8.74838058 -9.18539670
0.00079896 0.00040463 -0.00018744
-0.03057912 0.01716897 0.00140413
23.64284997 -6.08346237 -8.27779578
0.00030734 -0.00035266 -0.00050518
-0.02124762 0.00485074 -0.00628898
0.61404155 -5.94539503 5.82596349
-0.00049246 -0.00050145 -0.00017280
0.00273255 0.00835866 0.00387179
-0.45098051 -5.24410995 8.59793815
-0.00021240 0.00020155 0.00008553
0.00956654 0.00236700 -0.00416890
-0.97430919 -3.00802929 -18.65142064
-0.00039865 0.00092284 -0.00012745
-0.01601261 0.00677843 -0.01433335
-3.45823705 -2.00384025 -20.24319724
0.00035732 0.00010291 -0.00072361
0.01866199 -0.00955535 0.01044109
3.00755960 2.75547487 -10.95915015
-0.00025479 -0.00122731 -0.00051353
-0.01721388 0.01346752 -0.03156423
1.94218139 2.28713220 -8.17540804
-0.00022364 0.00050590 -0.00037154
-0.01009018 0.00821875 0.00670682
-2.32473489 16.80890735 12.62974421
0.00023959 -0.00004662 0.00079041
-0.01501080 0.01621794 -0.01042514
-3.70410352 19.26369494 13.61940737
0.00065790 0.00023106 -0.00034351
0.00459184 -0.02493791 -0.02790785
-4.09414194 6.16991119 -12.59678134
-0.00068256 -0.00011473 0.00179750
-0.01267269 0.03405956 -0.03490871
-3.07649128 3.51376121 -12.16977111
0.00040518 0.00103297 0.00120883
0.00336318 -0.02881923 -0.01860605
-7.65482366 2.30236261 -7.52212411
-0.00006758 -0.00010554 0.00052686
0.00540843 -0.00552999 0.00093436
-6.68728728 3.99337133 -9.76115507
0.00002895 -0.00105322 0.00123996
-0.01661978 -0.00904110 0.01095345
1.90572752 28.21105939 6.80997542
0.00032117 0.00029416 -0.00052931
-0.00105698 -0.00185814 0.01416018
0.12397886 27.49308496 9.09315661
0.00076256 -0.00003068 0.00003248
0.01949101 0.00377791 -0.01058642
10.92651824 -6.63013742 -0.48082102
-0.00045298 -0.00052250 -0.00031990
0.01365321 -0.00885213 0.01560034
8.89165126 -7.51636134 -2.24906498
-0.00031024 0.00032686 -0.00094593
-0.00359174 -0.00168376 -0.00236724
-7.09725653 0.13883402 6.38713443
0.00013615 0.00061675 -0.00062612
0.00104506 -0.00795653 0.00785290
-9.96674164 -0.34967827 6.87391223
0.00076096 -0.00119599 0.00003219
-0.02329634 -0.02279971 0.02613554
21.44838401 10.46081102 10.35179184
0.00103891 -0.00010922 -0.00013148
-0.00365544 -0.00984691 -0.00506014
20.61139844 12.45047908 8.65137353
0.00062208 -0.00013995 0.00001572
0.00481702 0.03609231 -0.01448646
-1.66299660 -3.04005062 -25.93113188
0.00064238 -0.00067588 -0.00000423
-0.01439575 0.00481054 -0.02625374
-4.51191793 -2.30752575 -26.23152205
-0.00007256 -0.00004540 -0.00042726
0.03682557 0.00641991 -0.02528270
-14.50774722 7.07128382 8.89319071
0.00063777 -0.00005744 0.00055374
-0.00424073 0.00682846 -0.01019137
-14.42057236 7.10819051 5.89041325
-0.00107633 0.00010871 0.00026123
-0.00322314 0.00140615 0.01596623
-11.22289027 6.66695059 -3.93785468
-0.00027697 -0.00058464 0.00058410
0.00308627 0.00839433 0.00736110
-8.77204164 8.15707865 -3.72460001
0.00072161 0.00048914 0.00028629
-0.00994738 -0.00381041 0.00875249
-1.19378960 -17.47350246 23.52497201
0.00036188 0.00014653 -0.00014845
0.01221690 -0.01918292 -0.00847933
-3.44730517 -15.88568290 24.48376726
0.00150422 0.00079585 -0.00019459
-0.00191605 0.00335682 0.00103408
-3.26986694 5.62204469 -7.98299033
0.00053316 -0.00001163 0.00038219
0.01015197 0.00409796 0.00144168
-3.86927418 7.72028330 -6.06160203
0.00089011 -0.00006542 -0.00043327
0.01049334 -0.01222614 -0.00239027
-21.60426808 30.17443923 3.37622728
0.00084507 0.00062723 -0.00171763
0.01218491 0.00830428 0.01415205
-21.54720048 32.29162271 5.35185261
0.00092430 0.00038142 -0.00038847
-0.02193300 0.01517108 0.02364449
6.94422675 -0.31689556 6.46971439
0.00024734 -0.00051912 -0.00027751
-0.01150082 0.00172840 -0.03336142
7.06163357 1.66001487 8.73703214
0.00094008 0.00023611 0.00026998
0.00042160 -0.00650687 -0.01547874
6.65782755 12.50828107 -13.28409875
-0.00038325 0.00057473 -0.00046614
-0.00170077 -0.00395304 -0.01085415
4.55687940 12.12835287 -15.14539124
-0.00092266 0.00053191 -0.00047600
-0.02460247 0.02664874 -0.03389917
14.54593893 4.34582686 -2.60967487
-0.00033562 -0.00085577 -0.00107296
0.00679047 -0.00960227 0.00476537
15.39900897 1.53495551 -2.13353795
-0.00075706 -0.00089092 0.00049397
-0.00733918 -0.02297946 -0.00607614
-2.45271462 13.43312470 -0.42351400
0.00021631 0.00025291 -0.00014925
-0.00151123 0.00170635 -0.00826552
-5.29477559 13.19363897 0.11315412
-0.00041898 -0.00042698 0.00014257
0.00779474 0.00277719 -0.01829053
3.61894950 10.99574692 3.68517099
0.00027528 -0.00052782 -0.00009695
0.01622503 0.03922180 -0.01152565
6.32552128 12.41569921 3.58597443
-0.00068705 -0.00007118 0.00023115
0.01352335 -0.00342623 -0.00204921
25.03413042 -13.53580157 -8.77253628
0.00078319 0.00040207 0.00005980
-0.00185172 0.01413549 -0.00490080
25.75317469 -11.67380279 -11.14129662
0.00140886 0.00048169 -0.00020445
-0.01194913 -0.00915428 0.02582428
14.71535215 -3.87248782 -0.86255512
0.00008143 -0.00048572 -0.00014855
-0.01304522 -0.00050882 -0.00588055
17.21819353 -5.64540456 -0.79756712
0.00054262 -0.00013408 -0.00012616
-0.01863171 0.02511091 0.00304702
11.80978060 7.97256047 11.20682241
0.00009073 0.00069302 0.00030551
-0.02299639 -0.00065753 0.04052309
12.85635168 9.57152887 9.11606519
-0.00053790 0.00033394 0.00027619
0.00942505 0.00091565 0.00005631
0.15936377 -14.23677312 16.98702828
-0.00013465 -0.00044908 0.00028527
0.00460999 -0.00813380 -0.00003629
1.60136627 -12.04836609 18.09796403
0.00058909 -0.00037426 0.00040370
0.00273382 0.02956643 0.00889422
-4.28208911 -2.05382966 -13.45180259
0.00056911 -0.00112257 0.00030141
-0.00277684 0.02259930 -0.01433336
-3.18292574 -0.83765438 -15.86904351
0.00027755 0.00109566 0.00020803
0.03231160 -0.00734532 -0.03969099
14.86884557 -8.41264332 -10.93925976
-0.00128720 0.00131068 -0.00010078
-0.00356393 -0.00228907 -0.02268349
15.95370248 -6.59121049 -8.83624197
-0.00029326 0.00031959 -0.00081765
-0.01881007 -0.03965938 -0.01586986
7.28507636 -5.66646842 9.06406504
0.00024795 -0.00078961 0.00064343
0.02115962 -0.01124190 -0.00385958
9.33866096 -5.37477053 7.06797295
0.00003720 -0.00016201 -0.00012248
0.00427250 -0.01589345 0.01072709
-20.77685450 2.39065983 20.77420166
-0.00028539 0.00020239 0.00075888
-0.01460026 -0.01467697 0.01983072
-21.92673805 0.60970324 23.05449363
0.00057680 -0.00010131 0.00076821
-0.00676671 -0.01625145 -0.00230361
26.39524936 -2.81251943 -5.93363400
-0.00020730 -0.00033150 -0.00032251
0.00149939 0.00422264 -0.00539316
25.35514807 -1.41460953 -8.25571669
-0.00046930 -0.00049898 0.00038009
0.00143300 0.00533735 0.00138004
9.16380307 -15.90517828 -7.62914662
-0.00031799 0.00014096 0.00012539
0.00178799 0.02781389 -0.00019803
8.60275261 -12.91677217 -7.03961976
0.00026478 -0.00012140 -0.00063193
-0.00198891 -0.00296176 0.00439966
-5.36762025 -10.79145937 17.85848017
-0.00030731 -0.00017381 0.00037914
-0.00966191 -0.01909797 -0.01072130
-6.79821570 -10.90808561 15.31828742
-0.00128096 -0.00063642 0.00080929
0.00798696 -0.01320502 0.00725481
9.80751575 2.43824795 -29.81894077
-0.00022096 -0.00135538 0.00125712
-0.02380126 0.00803962 -0.00176275
6.92076886 2.83613236 -30.63123633
0.00015123 0.00166452 -0.00001502
-0.00995749 -0.00833644 -0.00208585
12.48363750 14.65414117 14.52890911
0.00022066 0.00018942 0.00110272
-0.00392658 0.01175648 -0.00377743
11.28450685 16.27380385 16.86537023
0.00037753 -0.00012018 0.00115972
0.00221236 -0.00893201 -0.00921699
28.82776170 5.05979946 -4.49837182
0.00038165 0.00008364 0.00002362
-0.00555922 0.00652563 0.00576924
26.78482605 6.80014268 -3.20602602
0.00039292 -0.00088729 -0.00097895
-0.01815569 0.00639861 -0.00980002
-9.97635157 4.92630892 6.97002920
0.00002218 -0.00000132 -0.00010387
0.00244378 -0.01314759 -0.01246135
-8.65437750 13.22157639 2.56884412
-0.00005086 0.00008380 0.00006877
0.00278898 -0.00068500 -0.00665584
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09447000
0.32945213
438.97844898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3717155308 (a.u.)
total exchange computation time: 2.6673779488 s
-154.1513019653
-931.42337185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3712323899 (a.u.)
total exchange computation time: 2.6679430008 s
-154.1563345449
Anderson extrapolation: theta=1.3423516874 (1.3423516874)
-931.42360994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3704946415 (a.u.)
total exchange computation time: 2.6672589779 s
-154.1638781506
Anderson extrapolation: theta=0.0509364731 (0.0509364731)
-931.42375094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3703848951 (a.u.)
total exchange computation time: 2.6678469181 s
-154.1649551518
Anderson extrapolation: theta=1.8475299049 (1.8475299049)
-931.42375590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3701580621 (a.u.)
total exchange computation time: 2.6689691544 s
-154.1671537426
Anderson extrapolation: theta=0.2167380692 (0.2167380692)
-931.42376076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3701016569 (a.u.)
total exchange computation time: 2.6680529118 s
-154.1676843797
Anderson extrapolation: theta=1.8314659320 (1.8314659320)
-931.42376167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3700168385 (a.u.)
total exchange computation time: 2.6692969799 s
-154.1684772742
Anderson extrapolation: theta=0.2941166242 (0.2941166242)
-931.42376281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3700115825 (a.u.)
total exchange computation time: 2.6684980392 s
-154.1685258661
Anderson extrapolation: theta=1.2838995695 (1.2838995695)
-931.42376313
-72.020374 22.636673 99.515487
559.362996 1032.254866 -412.271319
487.342622 1054.891540 -312.755832
1203.376584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3700202845 (a.u.)
total exchange computation time: 2.6688029766 s
678.99577200
-1083.58992725
89.67711060
-389.28289894
-174.85379951
78.16685255
551.60419304
0.00000000
-931.42376339
3.90323468 -30.82621784 -2.28230574
0.00002840 0.00031908 0.00000505
-0.00918542 -0.00490983 0.00129174
-11.87784225 -2.19373404 -9.12771626
0.00036432 0.00020797 -0.00008580
0.00145571 -0.00487162 0.00751414
-37.40662104 2.39190982 -0.10575032
-0.00016339 0.00028326 0.00014649
-0.02246433 0.00877241 0.00789682
-11.47753080 -3.93044914 3.86903284
-0.00034519 -0.00017438 -0.00005459
0.03000534 -0.03931692 -0.01857022
4.69327420 -3.85287317 9.54385499
-0.00039868 -0.00019079 -0.00030352
-0.00205799 0.01650929 0.00741623
-31.93359048 -1.05793825 -0.67556801
0.00022236 0.00046580 0.00015268
0.00407892 -0.03642434 -0.01510559
15.05365239 12.57432442 -14.08384103
-0.00060374 0.00014225 0.00005241
0.04767836 -0.02955810 0.06203325
-7.73089779 5.81587806 2.43399992
0.00004869 0.00022355 0.00006339
0.01644665 -0.01448720 -0.02308914
7.40146579 12.52993038 -5.54186218
0.00032128 0.00017615 -0.00014850
-0.00588434 -0.01916212 0.01205165
8.94415598 9.79025669 -19.08846173
-0.00018308 0.00020888 0.00023144
0.02679373 -0.01204222 -0.00857641
23.23084768 17.42237502 -2.11719990
0.00026373 -0.00032946 -0.00001708
-0.02827494 0.04254230 0.01127421
2.19486119 16.92735075 -19.13661884
0.00025430 -0.00011385 -0.00043080
0.01806383 -0.02474565 0.04733464
14.08822352 -1.48427942 -5.30702167
0.00006879 0.00022955 -0.00014290
-0.00573678 -0.00087288 -0.01762620
-16.12729930 -1.88503086 3.33416074
0.00014043 0.00027661 -0.00034920
0.00708155 -0.00447193 0.00434473
-17.02332690 -1.71998840 19.46110947
0.00012351 -0.00011935 -0.00024534
-0.01801733 0.01410352 -0.01308707
0.23717873 2.16618585 -5.18396491
0.00011428 -0.00009201 0.00026095
-0.00729458 0.00820123 0.00821937
22.27399408 -7.15604365 -8.98636152
0.00023333 -0.00003589 0.00003600
0.05366362 -0.02323894 0.01045207
-0.43631137 -6.44725490 7.23860827
-0.00006260 0.00014635 -0.00002920
-0.01847923 -0.01546027 0.00755595
-1.91277187 -1.52904745 -19.27282266
0.00025483 0.00009127 -0.00001025
-0.00809916 0.00396181 -0.00341113
3.37980989 2.28324752 -9.29837213
-0.00016257 -0.00018094 0.00009585
0.02814412 -0.01668889 0.02184916
-3.65881382 18.08200204 12.09510645
-0.00022885 -0.00023488 0.00015947
0.00740568 0.00855578 0.03830527
-3.66432658 4.99142632 -11.38991706
-0.00029384 -0.00002275 0.00013159
0.00456050 -0.00928058 0.05999872
-8.20912787 3.28860359 -8.94226297
0.00031240 -0.00017799 -0.00024394
0.00335367 0.00443463 -0.00337221
1.84577689 27.27526161 8.41803332
0.00041303 0.00017861 0.00023396
-0.01304624 0.00096731 -0.00234153
10.10243125 -6.18612121 -2.01774601
-0.00027847 -0.00006574 0.00011370
-0.00984046 0.01298243 -0.01069585
-8.82832051 0.52257323 5.86555764
0.00022080 0.00032190 0.00014359
0.00613329 0.03309370 -0.03055480
20.48783871 10.67638997 8.78490429
-0.00028457 -0.00000470 0.00005328
0.00375358 -0.02249728 0.01826291
-2.81325355 -2.15893086 -27.17908144
0.00039511 0.00005944 -0.00010036
-0.01637146 -0.01651558 0.05129324
-14.28917741 6.04545757 7.41020694
-0.00005060 0.00014463 0.00030026
0.00403212 -0.00693741 -0.00975480
-9.96026307 7.15329314 -2.67793608
0.00032732 0.00020062 0.00008130
0.01227696 0.00143620 -0.01855773
-1.66506794 -15.83161299 24.12630859
-0.00041720 0.00009296 -0.00048988
0.00891831 0.02191804 0.00556367
-2.57387901 6.39674827 -6.46563216
-0.00013103 -0.00013802 0.00009539
-0.01709541 0.01463942 0.00745610
-20.42586287 31.11253302 4.62380783
0.00053166 -0.00001532 -0.00015721
0.00292837 -0.02672194 -0.04112010
7.56505531 0.00517317 8.11692129
-0.00001134 0.00013115 -0.00019958
0.01437901 0.00960238 0.03808497
5.46553402 11.25359534 -13.94104905
0.00030749 0.00008913 0.00013852
0.02220080 -0.01403321 0.04647552
15.89521222 3.22461585 -1.96047725
-0.00032694 -0.00031759 -0.00003613
-0.00029761 0.02800900 0.00439567
-4.06664524 13.62800097 -1.27691698
-0.00027529 -0.00000369 0.00046071
-0.00722889 -0.01489941 0.02556068
4.57293387 12.79518299 3.31817944
0.00002741 -0.00035999 -0.00007838
-0.03337120 -0.04865648 0.00121549
24.80249229 -11.83282052 -9.45951017
-0.00002803 0.00011778 -0.00004878
0.02054900 0.00228539 -0.03449777
16.41292671 -3.95919746 -0.34622708
-0.00015889 0.00014597 -0.00014205
0.04882849 -0.01572392 0.00340357
12.90802520 7.87870599 9.83187175
0.00017709 -0.00011796 0.00015234
0.01922733 0.01257277 -0.02886925
1.79018605 -13.76754416 17.70637225
-0.00045081 -0.00012671 -0.00009846
-0.00088923 -0.02519424 -0.00600746
-4.42815344 -0.59522782 -14.65819173
-0.00000508 -0.00015889 0.00025006
-0.01813595 -0.01808231 0.06227508
14.94157034 -8.24213124 -9.13414180
0.00027803 0.00036991 0.00036913
0.02918319 0.03738325 0.02999934
8.92518191 -6.51048158 8.50310571
-0.00045777 -0.00034963 0.00022554
-0.02265327 0.02333330 -0.00717250
-21.35283345 2.24330339 22.55401748
0.00000831 0.00000791 0.00006386
0.01600121 0.02968623 -0.01060770
25.85980216 -3.07782893 -7.69230071
-0.00004266 -0.00021716 -0.00042840
-0.00462209 -0.00841757 0.00887221
9.84360777 -14.11145616 -7.63158053
-0.00010927 -0.00010904 -0.00018450
0.00599755 -0.01952953 -0.01261504
-6.19588527 -12.04774216 16.69804320
-0.00047483 -0.00042201 0.00009199
0.00697013 0.03210740 0.01159503
8.24020749 3.43844530 -29.53489907
-0.00013394 0.00005432 0.00014989
0.03410690 -0.00934213 0.00798251
11.00158416 15.68784704 15.11812201
-0.00029808 -0.00029308 -0.00005073
-0.00327619 -0.00520332 0.02830365
28.44166309 6.09429746 -3.01535111
0.00027605 -0.00021057 -0.00002741
0.02088255 -0.00423263 -0.00366371
5.26136755 -31.42727574 -3.34984739
0.00010052 0.00041640 -0.00012229
0.00856921 -0.00102160 -0.00434146
4.17811999 -31.49572862 -0.61996930
-0.00078692 -0.00069150 -0.00020382
0.00121793 -0.00158289 0.01104546
-11.75813313 -3.99267986 -8.49222243
0.00054407 0.00036644 0.00046448
-0.00500056 0.01669648 -0.01549902
-12.54842154 -2.22356736 -10.82471146
-0.00057595 0.00044744 -0.00031828
0.00283388 -0.00300692 0.00332075
-38.78644537 2.10917140 1.13815515
-0.00027206 0.00034013 -0.00072712
0.02084161 0.00117981 -0.01522122
-37.80322689 4.06758491 -0.98573008
0.00021047 -0.00025635 0.00033415
0.00446704 -0.02078354 0.01104449
-10.79992347 -5.69481905 3.34027185
-0.00003913 0.00029148 0.00031811
-0.01411420 0.03219517 0.01633300
-9.92815525 -2.93932973 3.64173469
-0.00020790 0.00025869 -0.00028534
-0.01135777 0.00316156 0.00488993
5.54646536 -2.23091182 9.10183622
-0.00006782 0.00047049 -0.00128795
-0.00431736 -0.01413401 0.00056598
4.27634404 -3.54219722 11.32735130
0.00071696 0.00055752 0.00012369
0.00567459 -0.01171152 -0.00801804
-33.36059449 -2.20670397 -0.70666350
0.00014149 0.00020113 -0.00053467
-0.00186084 0.00902740 0.00426136
-32.48861889 0.53874080 -0.22669709
0.00004159 0.00045487 0.00109729
-0.02328404 0.03731125 0.01829061
14.95736852 13.01035478 -15.75803565
-0.00013822 -0.00074566 0.00047606
-0.01446390 0.02054397 -0.06080536
16.87550564 12.00685423 -13.94997708
0.00034156 -0.00029979 0.00089980
-0.03383524 0.00457997 0.00369847
-8.35942975 7.15725480 1.30302989
-0.00041577 -0.00033931 0.00007839
0.00788531 -0.01867489 0.00803166
-6.95870343 4.47049305 1.23253040
-0.00088666 0.00040731 0.00038619
-0.02328330 0.03295673 0.02016788
6.14632655 12.58919899 -6.81163038
-0.00045573 -0.00057043 0.00008629
-0.01813876 -0.00228981 -0.01652390
8.68431008 13.64422313 -6.17628236
0.00071460 -0.00013260 -0.00066020
0.02358320 0.01797803 -0.00989468
8.96602635 9.08636946 -20.79617242
-0.00013689 -0.00040362 0.00002336
-0.00494997 0.00214337 0.00789938
10.80267806 10.09388308 -18.84463837
-0.00022200 0.00062726 -0.00106744
-0.02661271 0.00769094 -0.00101178
24.26891507 16.02219854 -2.55422419
-0.00039756 -0.00114654 -0.00062203
0.01815529 -0.01675878 -0.00618577
24.24309428 18.97545859 -2.20702192
0.00127742 -0.00049419 -0.00043495
0.00505591 -0.01486284 -0.00245340
2.01986353 17.41591801 -20.80335332
-0.00093815 -0.00058988 -0.00057708
-0.01350434 0.01193293 -0.05283951
3.24462913 15.31061709 -19.18964127
-0.00141300 -0.00054449 0.00019641
-0.01081325 0.01417376 0.00594777
13.12918715 -1.97097105 -6.81850470
-0.00087775 0.00188574 0.00027378
0.00352300 0.00868161 0.00382919
12.85220951 -0.94145065 -4.07195411
-0.00023569 -0.00047042 0.00042326
0.00165015 -0.00517667 0.00197864
-17.48139274 -3.15641602 3.57857842
-0.00109743 0.00037301 0.00000147
0.01325648 0.00676734 -0.00402670
-14.49426749 -2.74598138 2.96695334
0.00058525 0.00116853 0.00079011
-0.01972640 0.00599682 0.01010193
-16.45804677 -0.00488263 19.95666855
0.00055048 0.00016893 -0.00074382
0.00533973 -0.00835786 0.00729412
-15.66173836 -2.86133985 19.65288065
0.00042176 -0.00112226 -0.00090820
0.01610856 -0.00697044 0.00748053
-0.80362340 0.65319483 -4.96236332
0.00027580 -0.00082802 -0.00058857
-0.00399175 -0.00155343 -0.00299864
-0.94819475 3.54694106 -4.76473713
0.00092359 0.00001738 -0.00000945
0.00830189 -0.00730104 -0.01031661
23.33853768 -8.74178499 -9.18816525
0.00067306 0.00047260 -0.00018211
-0.03104785 0.01610077 0.00120548
23.64680895 -6.08860367 -8.28556622
0.00022316 -0.00032887 -0.00052881
-0.01995923 0.00679479 -0.00527788
0.60673838 -5.95266071 5.82349021
-0.00047850 -0.00046472 -0.00015990
0.00410197 0.00962171 0.00244063
-0.45387336 -5.24101422 8.59909330
-0.00017268 0.00021023 0.00006640
0.00987700 0.00188334 -0.00519584
-0.98077964 -2.99397896 -18.65377154
-0.00045641 0.00093840 -0.00018078
-0.01225989 0.00083967 -0.01177512
-3.45230539 -2.00258942 -20.25373142
0.00043577 0.00006504 -0.00067883
0.01974009 -0.00898136 0.01147968
3.00321024 2.73747791 -10.96782040
-0.00032303 -0.00117457 -0.00063573
-0.01618769 0.01235125 -0.02825167
1.93851757 2.29497252 -8.18077565
-0.00026702 0.00053894 -0.00034191
-0.01114394 0.00795687 0.00780017
-2.32160105 16.80870502 12.64128092
0.00017559 0.00002083 0.00074549
-0.01631779 0.01680009 -0.01156563
-3.69409425 19.26639659 13.61339950
0.00067488 0.00013071 -0.00045576
0.00371857 -0.02418322 -0.02703572
-4.10476863 6.16923393 -12.57088857
-0.00073980 0.00003842 0.00163950
-0.01534679 0.04090750 -0.04243279
-3.07031055 3.52837263 -12.15220881
0.00042578 0.00089973 0.00112278
0.00672072 -0.03640296 -0.02351621
-7.65567165 2.30061001 -7.51419264
-0.00004869 -0.00012440 0.00052529
0.00383719 -0.00370025 -0.00170041
-6.68736227 3.97729606 -9.74222001
-0.00002583 -0.00108297 0.00127598
-0.01019650 -0.00552361 0.00667780
1.91051272 28.21541491 6.80246964
0.00031629 0.00028200 -0.00046336
-0.00133480 -0.00409874 0.01812601
0.13601457 27.49274046 9.09331940
0.00083597 -0.00001425 -0.00000861
0.01644242 0.00426877 -0.00952607
10.92014196 -6.63824613 -0.48514154
-0.00039536 -0.00056045 -0.00025167
0.01455080 -0.00972823 0.01780234
8.88688760 -7.51151009 -2.26332643
-0.00032602 0.00031832 -0.00095534
-0.00413247 -0.00249374 -0.00224228
-7.09518231 0.14784150 6.37798330
0.00014471 0.00058304 -0.00059250
0.00314898 -0.00854408 0.00860379
-9.95604104 -0.36831678 6.87519597
0.00067189 -0.00128515 0.00013382
-0.02030534 -0.02084382 0.02361285
21.46385561 10.45887099 10.34966453
0.00101969 -0.00014896 -0.00015784
-0.00574913 -0.00960595 -0.00784106
20.62087732 12.44948582 8.65116541
0.00064148 0.00000786 -0.00004373
0.00467820 0.03625902 -0.01461522
-1.65380207 -3.05004137 -25.93199977
0.00058001 -0.00065333 -0.00011418
-0.01613602 0.00622462 -0.02756797
-4.51187789 -2.30801006 -26.23870565
0.00008026 -0.00001900 -0.00053061
0.03798103 0.00650320 -0.02530766
-14.49831063 7.07063141 8.90118447
0.00062035 -0.00002934 0.00051183
-0.00428816 0.00692794 -0.01032121
-14.43681604 7.10986423 5.89482088
-0.00108861 0.00011403 0.00032775
-0.00278953 0.00120085 0.01659966
-11.22695026 6.65843828 -3.92886769
-0.00025991 -0.00054769 0.00061589
0.00526585 0.00968969 0.00820146
-8.76152233 8.16429899 -3.72003745
0.00067743 0.00047099 0.00032211
-0.01167619 -0.00507384 0.00878187
-1.18798701 -17.47189231 23.52248548
0.00040995 0.00006914 -0.00018237
0.01131213 -0.01870304 -0.00812844
-3.42480062 -15.87364230 24.48088008
0.00146691 0.00080758 -0.00018495
-0.01634656 0.00238512 0.00368304
-3.26155849 5.62199580 -7.97721336
0.00057110 0.00000174 0.00038118
0.00842275 0.00244940 -0.00193253
-3.85560098 7.71892738 -6.06817432
0.00092643 -0.00011001 -0.00044114
0.00728407 -0.00960145 -0.00146400
-21.59121862 30.18410221 3.35089657
0.00089584 0.00066300 -0.00165467
0.01266677 0.00920444 0.01666372
-21.53400806 32.29780891 5.34675008
0.00083349 0.00044297 -0.00029235
-0.02251877 0.01495937 0.02340862
6.94758441 -0.32462947 6.46452942
0.00020062 -0.00050979 -0.00041202
-0.01136779 0.00284201 -0.03248009
7.07574763 1.66335711 8.74060754
0.00094066 0.00020975 0.00020510
-0.00013599 -0.00639339 -0.01628152
6.65202676 12.51678082 -13.29142350
-0.00038618 0.00056177 -0.00050838
0.00026175 -0.00238821 -0.00982102
4.54228561 12.13714813 -15.15357006
-0.00100907 0.00062656 -0.00059521
-0.01769610 0.01968053 -0.02445142
14.54111271 4.33269607 -2.62562321
-0.00030693 -0.00089441 -0.00105226
0.00725252 -0.00931071 0.00536405
15.38742821 1.52088762 -2.12631456
-0.00078315 -0.00097340 0.00047061
-0.00543494 -0.01739710 -0.00536094
-2.44951629 13.43697057 -0.42600599
0.00020736 0.00025962 -0.00018278
-0.00286998 0.00158070 -0.00814777
-5.30082147 13.18731932 0.11473221
-0.00038652 -0.00041545 0.00006954
0.00809392 0.00286911 -0.01746100
3.62357596 10.98903146 3.68336353
0.00034128 -0.00036795 -0.00014381
0.01608079 0.03903622 -0.01141210
6.31562998 12.41452656 3.58937893
-0.00062060 -0.00008677 0.00022420
0.01900252 -0.00420509 -0.00135659
25.04582145 -13.52933743 -8.77178942
0.00077540 0.00045759 0.00004085
-0.00195737 0.01304274 -0.00437802
25.77394142 -11.66685792 -11.14357202
0.00135555 0.00044388 -0.00009345
-0.01414568 -0.00935574 0.02850921
14.71617388 -3.87978924 -0.86496362
0.00002399 -0.00048797 -0.00017374
-0.01507215 -0.00058941 -0.00645032
17.22576183 -5.64664626 -0.79936621
0.00046393 -0.00002799 -0.00011254
-0.01988386 0.02682113 0.00362030
11.81043682 7.98293564 11.21264685
0.00000036 0.00068850 0.00046734
-0.02123677 -0.00155439 0.03869127
12.84857199 9.57656599 9.12020981
-0.00049798 0.00033229 0.00027701
0.01011519 -0.00172065 0.00034299
0.15748522 -14.24375855 16.99130628
-0.00012018 -0.00048137 0.00028342
0.00247652 -0.00767157 -0.00087100
1.61028646 -12.05307396 18.10429208
0.00059850 -0.00025089 0.00044002
0.00187208 0.03082199 0.00888312
-4.27363756 -2.06997573 -13.44772073
0.00055719 -0.00102319 0.00023703
-0.00305895 0.02605008 -0.01718017
-3.17777236 -0.82144462 -15.86713926
0.00040748 0.00106604 0.00004891
0.03129115 -0.00715385 -0.03820353
14.84942836 -8.39305332 -10.94146659
-0.00130200 0.00130057 -0.00018539
-0.00368269 -0.00265904 -0.01873409
15.94872721 -6.58763187 -8.84899300
-0.00036672 0.00016214 -0.00087898
-0.01714809 -0.03741326 -0.01415030
7.28944407 -5.67865708 9.07359822
0.00032879 -0.00083141 0.00062811
0.01840840 -0.00921701 -0.00364086
9.33934985 -5.37768771 7.06646442
0.00005199 -0.00023023 -0.00007355
0.00296741 -0.01749939 0.01322382
-20.78158269 2.39324594 20.78619257
-0.00034180 0.00014226 0.00083016
-0.01301632 -0.01475920 0.01505916
-21.91829337 0.60768565 23.06594625
0.00054988 -0.00016549 0.00075764
-0.00641073 -0.01516832 -0.00287191
26.39218578 -2.81736248 -5.93863688
-0.00020095 -0.00031482 -0.00034495
0.00160906 0.00394182 -0.00559010
25.34815253 -1.42193063 -8.24997309
-0.00046541 -0.00047164 0.00038314
0.00047099 0.00804234 0.00011274
9.15908805 -15.90221158 -7.62727189
-0.00031029 0.00025224 0.00012432
0.00198104 0.02665787 -0.00032137
8.60666341 -12.91868399 -7.04896394
0.00025242 -0.00012903 -0.00061169
-0.00406371 -0.00077212 0.00550953
-5.37252603 -10.79465179 17.86383876
-0.00034881 -0.00025459 0.00033210
-0.01064856 -0.02044104 -0.01230396
-6.81718542 -10.91803649 15.33064903
-0.00124909 -0.00068747 0.00083540
0.00761440 -0.01178688 0.00552917
9.80347194 2.41816361 -29.80013801
-0.00032419 -0.00131858 0.00124914
-0.02672669 0.00997296 -0.00214247
6.92273216 2.86084477 -30.63152550
0.00010405 0.00162592 -0.00002976
-0.01313477 -0.01055927 -0.00513245
12.48682714 14.65734271 14.54533415
0.00020604 0.00023577 0.00108442
-0.00323119 0.01093498 -0.00517944
11.29023758 16.27172745 16.88248353
0.00038225 -0.00016085 0.00110716
0.00009953 -0.01097687 -0.01651111
28.83331613 5.06125402 -4.49784080
0.00036082 0.00010789 0.00004525
-0.00463852 0.00534422 0.00482048
26.79016355 6.78702939 -3.22101059
0.00031522 -0.00085885 -0.00101800
-0.01988272 0.00752101 -0.00931218
-9.97601233 4.92625381 6.96843769
0.00002305 -0.00000599 -0.00010831
0.00242164 -0.01292971 -0.01232137
-8.65513559 13.22283218 2.56986412
-0.00005022 0.00008364 0.00006720
0.00272649 -0.00071392 -0.00686162
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09446456
0.32929883
438.77418216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3711174558 (a.u.)
total exchange computation time: 2.6617438793 s
-154.1459741333
-931.42431447
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3706378394 (a.u.)
total exchange computation time: 2.6602611542 s
-154.1509186141
Anderson extrapolation: theta=1.3445688814 (1.3445688814)
-931.42455371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3699008977 (a.u.)
total exchange computation time: 2.6586880684 s
-154.1583816000
Anderson extrapolation: theta=0.0518267182 (0.0518267182)
-931.42469574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3697880026 (a.u.)
total exchange computation time: 2.6633310318 s
-154.1594829810
Anderson extrapolation: theta=1.8709874244 (1.8709874244)
-931.42470082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3695513168 (a.u.)
total exchange computation time: 2.6590859890 s
-154.1617587641
Anderson extrapolation: theta=0.2220968330 (0.2220968330)
-931.42470580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3694906667 (a.u.)
total exchange computation time: 2.6612119675 s
-154.1623193232
Anderson extrapolation: theta=1.8323037220 (1.8323037220)
-931.42470672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3693979948 (a.u.)
total exchange computation time: 2.6631197929 s
-154.1631616857
Anderson extrapolation: theta=0.2959193810 (0.2959193810)
-931.42470780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3693903601 (a.u.)
total exchange computation time: 2.6592049599 s
-154.1632207865
Anderson extrapolation: theta=1.2828673254 (1.2828673254)
-931.42470807
-71.980764 22.614418 99.510696
559.385510 1032.241798 -412.275165
487.404746 1054.856216 -312.764469
1203.373025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3693961408 (a.u.)
total exchange computation time: 2.7320070267 s
678.99003012
-1083.56435744
89.67204950
-389.30114390
-174.85189040
78.15115701
551.60419304
0.00000000
-931.42470825
3.90362523 -30.82145059 -2.28222504
0.00002387 0.00031631 0.00000567
-0.00844275 -0.00586135 0.00114465
-11.87237187 -2.19063320 -9.12897432
0.00036474 0.00020559 -0.00008276
0.00019131 -0.00442134 0.00431463
-37.40915857 2.39619250 -0.10352245
-0.00017414 0.00028723 0.00015026
-0.01934778 0.00667369 0.00673802
-11.48259290 -3.93321651 3.86814239
-0.00032930 -0.00019365 -0.00006397
0.03179400 -0.03561917 -0.01792588
4.68728601 -3.85567138 9.53933079
-0.00039917 -0.00018105 -0.00029965
0.00017109 0.02137120 0.00763755
-31.93023934 -1.05109177 -0.67333605
0.00022383 0.00044770 0.00014508
0.00162675 -0.03397006 -0.01445964
15.04478020 12.57634414 -14.08281558
-0.00057796 0.00012639 0.00008594
0.05258014 -0.03210397 0.06832980
-7.73010406 5.81917546 2.43486166
0.00005682 0.00021629 0.00005224
0.01517199 -0.01375999 -0.02024548
7.40626223 12.53249874 -5.54404322
0.00031790 0.00016657 -0.00014290
-0.00725681 -0.01808769 0.00973616
8.94151314 9.79334338 -19.08502320
-0.00016946 0.00020232 0.00022607
0.02617360 -0.01343374 -0.01229579
23.23469464 17.41759724 -2.11741258
0.00025003 -0.00030770 -0.00001155
-0.02500750 0.04207172 0.01021451
2.19874530 16.92554750 -19.14289832
0.00026303 -0.00012577 -0.00040678
0.01590191 -0.02160978 0.04607176
14.08923328 -1.48083954 -5.30923311
0.00006527 0.00022948 -0.00015104
-0.00797484 0.00061517 -0.01403908
-16.12516556 -1.88089892 3.32893955
0.00014267 0.00027417 -0.00034652
0.00163924 -0.00503469 0.00607456
-17.02154380 -1.72172423 19.45737886
0.00011565 -0.00011294 -0.00025183
-0.01252678 0.01080626 -0.01215715
0.23886486 2.16483737 -5.18001903
0.00011097 -0.00008894 0.00026488
-0.00560269 0.00371516 0.00708876
22.27770098 -7.15667158 -8.98578122
0.00026045 -0.00004795 0.00004115
0.05181055 -0.02366401 0.00957988
-0.43732171 -6.44511931 7.23819939
-0.00007248 0.00013823 -0.00002474
-0.01992352 -0.01612469 0.00981083
-1.90898070 -1.52766317 -19.27298962
0.00024942 0.00009486 -0.00001293
-0.01292603 0.00999342 -0.00698401
3.37747984 2.28046907 -9.29685009
-0.00014823 -0.00018909 0.00010567
0.02762527 -0.01500374 0.01634447
-3.66221805 18.07851192 12.09764628
-0.00022457 -0.00023088 0.00017895
0.00925333 0.00698045 0.03744116
-3.66871657 4.99104921 -11.38771175
-0.00029169 -0.00002718 0.00016502
0.00380188 -0.00791490 0.07000139
-8.20442886 3.28595083 -8.94593510
0.00031264 -0.00017717 -0.00024378
-0.00243936 -0.00123382 0.00398375
1.85192202 27.27794454 8.42153373
0.00040726 0.00017949 0.00023150
-0.00940806 0.00245038 -0.00724204
10.09821629 -6.18705716 -2.01608182
-0.00028352 -0.00005869 0.00010776
-0.00980975 0.01439744 -0.01240532
-8.82498490 0.52752932 5.86759371
0.00022237 0.00033826 0.00012861
-0.00000012 0.03055287 -0.02771626
20.48358465 10.67623272 8.78577387
-0.00028208 -0.00001596 0.00006330
0.00591051 -0.02129665 0.02070043
-2.80739004 -2.15810292 -27.18038898
0.00038703 0.00005066 -0.00007388
-0.01506719 -0.01764539 0.05167291
-14.28992089 6.04760025 7.41467320
-0.00004856 0.00014104 0.00029520
0.00389740 -0.00703306 -0.00992791
-9.95530589 7.15630797 -2.67678814
0.00033346 0.00020133 0.00007165
0.01158383 0.00131430 -0.01898442
-1.67129148 -15.83013399 24.11898190
-0.00040826 0.00010414 -0.00048797
0.02584350 0.02155957 0.00184743
-2.57591040 6.39473449 -6.46417257
-0.00013847 -0.00013088 0.00009983
-0.01185687 0.01311704 0.00982293
-20.41787661 31.11220021 4.62129099
0.00053283 -0.00002912 -0.00017870
0.00158887 -0.02696110 -0.04244035
7.56494063 0.00717746 8.11407455
-0.00000401 0.00013560 -0.00018044
0.01411813 0.00769591 0.03632970
5.47023197 11.25487820 -13.93879191
0.00031647 0.00008332 0.00015967
0.01271653 -0.00855625 0.03574985
15.89030702 3.21995997 -1.96100219
-0.00032764 -0.00030488 -0.00003416
-0.00241830 0.02143137 0.00326040
-4.07080253 13.62788810 -1.26990768
-0.00027870 -0.00001127 0.00047352
-0.00599974 -0.01456868 0.02423467
4.57321629 12.78959539 3.31700847
0.00000904 -0.00038466 -0.00007792
-0.03807960 -0.04724741 0.00054202
24.80215105 -11.83104505 -9.46037487
-0.00001696 0.00011933 -0.00006728
0.02251805 0.00375696 -0.03747376
16.41073174 -3.95706857 -0.34834473
-0.00013321 0.00013757 -0.00014030
0.05102498 -0.01694988 0.00339205
12.91075570 7.87698506 9.83404545
0.00018606 -0.00011066 0.00013823
0.01567204 0.01580198 -0.02597457
1.78342053 -13.76954196 17.70487218
-0.00045043 -0.00013974 -0.00010126
0.00233515 -0.02548746 -0.00488411
-4.42829964 -0.59768089 -14.65420061
-0.00001364 -0.00016902 0.00028185
-0.01512816 -0.02132972 0.06133049
14.94585330 -8.23643844 -9.12848906
0.00029249 0.00038842 0.00038284
0.02704674 0.03459771 0.02329967
8.91822793 -6.51563599 8.50646112
-0.00046824 -0.00033786 0.00022115
-0.01805463 0.02241514 -0.00990048
-21.35264704 2.24353652 22.55493450
0.00001592 0.00002275 0.00006003
0.01356645 0.02802330 -0.00428392
25.85914438 -3.08111877 -7.69869249
-0.00004483 -0.00022201 -0.00042346
-0.00378550 -0.01045202 0.01033438
9.84199188 -14.11316704 -7.63439672
-0.00010562 -0.00011918 -0.00019128
0.00817716 -0.01989974 -0.01373156
-6.20298091 -12.05394840 16.69946770
-0.00047093 -0.00040566 0.00009876
0.00822126 0.03144965 0.01474804
8.23832994 3.43922403 -29.53261995
-0.00011518 0.00004955 0.00015478
0.03883735 -0.00920183 0.01102141
10.99710039 15.68343079 15.11747025
-0.00029945 -0.00029503 -0.00003421
-0.00206984 -0.00236836 0.03592569
28.44588445 6.09112265 -3.01577633
0.00028672 -0.00021248 -0.00002919
0.02059120 -0.00320958 -0.00326074
5.26313796 -31.42106110 -3.35181480
0.00013467 0.00041247 -0.00013889
0.00814433 -0.00090010 -0.00378565
4.16635344 -31.50614964 -0.62268820
-0.00078153 -0.00069723 -0.00016012
0.00142206 -0.00122279 0.01034927
-11.75012533 -3.98667163 -8.48573012
0.00052304 0.00043417 0.00039972
-0.00529095 0.01645812 -0.01620338
-12.55697391 -2.21694785 -10.82938390
-0.00056111 0.00043444 -0.00029643
0.00442794 -0.00335803 0.00737726
-38.78988761 2.11430946 1.12678195
-0.00019201 0.00034338 -0.00078384
0.01834147 0.00041025 -0.01254651
-37.79993297 4.06310276 -0.98037944
0.00022757 -0.00033616 0.00037649
0.00390349 -0.01828269 0.00968500
-10.80094290 -5.68946029 3.34554405
-0.00009599 0.00041860 0.00038309
-0.01371779 0.03003326 0.01547124
-9.93162186 -2.93535247 3.63760447
-0.00025837 0.00026888 -0.00026469
-0.01334762 0.00182550 0.00521864
5.54531579 -2.22428758 9.08253432
-0.00009017 0.00040356 -0.00128220
-0.00662226 -0.01862944 0.00224711
4.28727226 -3.53419336 11.32896102
0.00074039 0.00050922 0.00008742
0.00579867 -0.01192984 -0.00973684
-33.35852921 -2.20341044 -0.71455290
0.00013621 0.00024014 -0.00051671
-0.00072093 0.01006960 0.00452799
-32.48870854 0.54670721 -0.20967721
-0.00005125 0.00059964 0.00117017
-0.02216073 0.03355161 0.01738163
14.95485195 12.99979937 -15.75275798
-0.00019692 -0.00065978 0.00021682
-0.01426601 0.02149521 -0.06609491
16.87959219 12.00249770 -13.93636672
0.00019298 -0.00027755 0.00091343
-0.03889492 0.00630937 0.00297201
-8.36542460 7.15159287 1.30445191
-0.00038493 -0.00041227 0.00010906
0.00720844 -0.01704080 0.00698140
-6.97271673 4.47761253 1.23894132
-0.00097793 0.00053723 0.00046496
-0.02139430 0.03064474 0.01838793
6.13893472 12.58057239 -6.81084237
-0.00052362 -0.00057929 0.00002360
-0.01509350 -0.00204860 -0.01416561
8.69575175 13.64278501 -6.18648855
0.00080661 -0.00006159 -0.00070025
0.02145822 0.01678276 -0.00971175
8.96382127 9.08038082 -20.79558001
-0.00015840 -0.00039272 0.00006075
-0.00557886 0.00319109 0.01040252
10.79853257 10.10352767 -18.86068096
-0.00032806 0.00065924 -0.00106916
-0.02530460 0.00796494 0.00016867
24.26350793 16.00448693 -2.56374415
-0.00032760 -0.00120902 -0.00064520
0.01609414 -0.01382603 -0.00515553
24.26241045 18.96759026 -2.21362141
0.00129504 -0.00055886 -0.00044455
0.00356921 -0.01679442 -0.00224609
2.00537740 17.40743543 -20.81362873
-0.00099271 -0.00054391 -0.00078861
-0.01320117 0.01057256 -0.05070453
3.22310284 15.30288405 -19.18651282
-0.00145250 -0.00048919 0.00021872
-0.00852440 0.01289436 0.00497266
13.11612886 -1.94241899 -6.81428060
-0.00086380 0.00191863 0.00028440
0.00330349 0.00741990 0.00136622
12.84872468 -0.94866565 -4.06554462
-0.00022375 -0.00049211 0.00042908
0.00419615 -0.00543757 0.00087223
-17.49744800 -3.15061354 3.57847701
-0.00103369 0.00040527 -0.00001728
0.01794697 0.00902539 -0.00514686
-14.48609322 -2.72826965 2.97911458
0.00050585 0.00118854 0.00082983
-0.01914059 0.00379916 0.00934070
-16.44962598 -0.00260482 19.94573474
0.00057167 0.00013106 -0.00071444
0.00503200 -0.01017936 0.00708801
-15.65491831 -2.87838727 19.63948687
0.00047673 -0.00114051 -0.00087891
0.01079647 -0.00196492 0.00685785
-0.79960874 0.64072700 -4.97128374
0.00026105 -0.00082797 -0.00060041
-0.00323037 0.00157690 -0.00279635
-0.93408651 3.54697805 -4.76519507
0.00095189 -0.00000960 -0.00004947
0.00555254 -0.00590520 -0.00926952
23.34768225 -8.73420265 -9.19085993
0.00054626 0.00053510 -0.00017771
-0.03102347 0.01449353 0.00094721
23.64954470 -6.09332853 -8.29366012
0.00014505 -0.00029679 -0.00054800
-0.01827640 0.00890991 -0.00411639
0.59968661 -5.95933671 5.82116650
-0.00045914 -0.00042307 -0.00015273
0.00537465 0.01076659 0.00106656
-0.45616089 -5.23780307 8.59993001
-0.00013177 0.00021699 0.00004328
0.01015073 0.00142627 -0.00611830
-0.98800145 -2.97987717 -18.65684409
-0.00049795 0.00092853 -0.00022303
-0.00807236 -0.00567390 -0.00890699
-3.44516393 -2.00188903 -20.26356206
0.00051767 0.00002945 -0.00063037
0.02035031 -0.00843872 0.01223856
2.99786879 2.72023790 -10.97822208
-0.00038640 -0.00112692 -0.00074169
-0.01483270 0.01097326 -0.02361501
1.93417078 2.30330049 -8.18566522
-0.00031395 0.00057093 -0.00030835
-0.01182866 0.00770201 0.00862773
-2.31946725 16.80953231 12.65210883
0.00010691 0.00008989 0.00069619
-0.01729982 0.01700483 -0.01256744
-3.68385708 19.26761615 13.60573471
0.00068819 0.00003458 -0.00056319
0.00279805 -0.02287102 -0.02555216
-4.11633587 6.17106373 -12.54759633
-0.00080671 0.00021591 0.00145477
-0.01740580 0.04597401 -0.04799407
-3.06371794 3.54075304 -12.13608773
0.00045939 0.00073807 0.00101798
0.00973265 -0.04272862 -0.02778249
-7.65628447 2.29863064 -7.50636538
-0.00003627 -0.00013581 0.00051292
0.00224661 -0.00188640 -0.00435718
-6.68806217 3.96088226 -9.72287569
-0.00005258 -0.00109771 0.00129388
-0.00289923 -0.00169009 0.00208327
1.91521611 28.21951924 6.79607475
0.00031042 0.00026134 -0.00038236
-0.00153635 -0.00601210 0.02152193
0.14905797 27.49265759 9.09289838
0.00089564 0.00000429 -0.00004479
0.01276806 0.00480391 -0.00818507
10.91465743 -6.64695106 -0.48837102
-0.00033494 -0.00060162 -0.00017603
0.01502363 -0.01042327 0.01922190
8.88187068 -7.50681168 -2.27772531
-0.00034366 0.00030680 -0.00096419
-0.00450384 -0.00314749 -0.00208544
-7.09291510 0.15632536 6.36935946
0.00016157 0.00054708 -0.00055600
0.00510100 -0.00905923 0.00926358
-9.94658489 -0.38823272 6.87792685
0.00059717 -0.00136421 0.00022315
-0.01627275 -0.01785967 0.02011198
21.47897486 10.45634224 10.34705667
0.00099216 -0.00018761 -0.00019496
-0.00772868 -0.00931545 -0.01032810
20.63064291 12.45071474 8.65006158
0.00066012 0.00015324 -0.00010335
0.00444670 0.03490593 -0.01456673
-1.64559645 -3.05965063 -25.93455719
0.00051148 -0.00062565 -0.00022841
-0.01740593 0.00732825 -0.02835030
-4.50951015 -2.30809580 -26.24744025
0.00023599 0.00000761 -0.00063310
0.03825230 0.00652349 -0.02486392
-14.48913684 7.07040360 8.90854568
0.00060273 -0.00000087 0.00046958
-0.00433454 0.00700836 -0.01036325
-14.45323068 7.11161154 5.90024584
-0.00109917 0.00011876 0.00039629
-0.00237994 0.00111107 0.01694741
-11.23068752 6.65051982 -3.91937806
-0.00023443 -0.00050569 0.00065067
0.00720518 0.01087191 0.00882440
-8.75171861 8.17120838 -3.71493668
0.00062685 0.00044815 0.00035758
-0.01308677 -0.00610865 0.00858095
-1.18149114 -17.47142839 23.51950079
0.00045372 -0.00000475 -0.00021428
0.01011198 -0.01746570 -0.00748825
-3.40329789 -15.86145553 24.47821862
0.00136912 0.00081549 -0.00016388
-0.03152435 0.00148893 0.00663249
-3.25273385 5.62209704 -7.97155483
0.00060189 0.00000824 0.00036608
0.00664803 0.00072996 -0.00546143
-3.84148136 7.71698302 -6.07483634
0.00094895 -0.00014301 -0.00044506
0.00374264 -0.00655365 -0.00045205
-21.57739287 30.19432930 3.32658711
0.00094811 0.00070205 -0.00158193
0.01291905 0.00990926 0.01894634
-21.52219572 32.30491191 5.34308218
0.00074214 0.00050167 -0.00019842
-0.02219687 0.01377195 0.02257012
6.95024538 -0.33218921 6.45735388
0.00015540 -0.00049556 -0.00054046
-0.01076599 0.00412511 -0.03039386
7.08985336 1.66630752 8.74318511
0.00093882 0.00018457 0.00013737
-0.00076203 -0.00593690 -0.01687405
6.64624201 12.52513420 -13.29935014
-0.00038091 0.00055551 -0.00054623
0.00232108 -0.00067599 -0.00870822
4.52660730 12.14714954 -15.16324742
-0.00106633 0.00069220 -0.00067509
-0.01033427 0.01245282 -0.01465382
14.53673097 4.31899466 -2.64124280
-0.00027677 -0.00093153 -0.00102940
0.00751362 -0.00886128 0.00582670
15.37551437 1.50575352 -2.11941971
-0.00080108 -0.00103189 0.00045016
-0.00334039 -0.01123570 -0.00464676
-2.44649385 13.44091330 -0.42899731
0.00019314 0.00026575 -0.00021559
-0.00408800 0.00142071 -0.00791689
-5.30637131 13.18117552 0.11524018
-0.00035350 -0.00040384 0.00000064
0.00807219 0.00281161 -0.01626242
3.62918794 10.98470838 3.68085665
0.00040640 -0.00020961 -0.00019008
0.01579686 0.03847165 -0.01123436
6.30690327 12.41309619 3.59270028
-0.00053288 -0.00010539 0.00021998
0.02393547 -0.00490966 -0.00070864
25.05739253 -13.52207395 -8.77131088
0.00076728 0.00050804 0.00002431
-0.00202076 0.01165255 -0.00371707
25.79384122 -11.66048642 -11.14410021
0.00129393 0.00040543 0.00002705
-0.01602058 -0.00946546 0.03047957
14.71607189 -3.88712678 -0.86776743
-0.00004006 -0.00049059 -0.00020075
-0.01628066 -0.00069572 -0.00677109
17.23211153 -5.64624419 -0.80094343
0.00038077 0.00008377 -0.00009687
-0.02082309 0.02788366 0.00405247
11.80979153 7.99321554 11.22084253
-0.00008058 0.00068016 0.00061880
-0.01838543 -0.00252791 0.03545186
12.84141223 9.58149766 9.12437546
-0.00045531 0.00032023 0.00027894
0.01077138 -0.00418637 0.00060456
0.15575846 -14.25121415 16.99553090
-0.00011461 -0.00051173 0.00027816
0.00024711 -0.00718929 -0.00170616
1.61932138 -12.05589287 18.11116454
0.00060461 -0.00012528 0.00047562
0.00111602 0.03066828 0.00854676
-4.26537349 -2.08452530 -13.44469177
0.00054424 -0.00091121 0.00016230
-0.00328111 0.02876160 -0.01939740
-3.17070126 -0.80567328 -15.86757635
0.00052978 0.00103768 -0.00010090
0.02857439 -0.00672763 -0.03512800
14.82978546 -8.37362629 -10.94482157
-0.00131700 0.00128884 -0.00025230
-0.00366020 -0.00308332 -0.01401565
15.94270099 -6.58634617 -8.86261126
-0.00043240 0.00001557 -0.00093286
-0.01500237 -0.03433601 -0.01222568
7.29493996 -5.69141061 9.08290826
0.00039729 -0.00086439 0.00061412
0.01512689 -0.00692862 -0.00320830
9.34022060 -5.38167737 7.06576633
0.00006165 -0.00030422 -0.00001534
0.00176172 -0.01871817 0.01527121
-20.78710860 2.39492750 20.79910640
-0.00039118 0.00008211 0.00088029
-0.01115641 -0.01468074 0.00948088
-21.91024158 0.60473845 23.07722287
0.00052478 -0.00022390 0.00074443
-0.00587527 -0.01342254 -0.00359434
26.38922081 -2.82196395 -5.94398237
-0.00019406 -0.00029930 -0.00036793
0.00176457 0.00365265 -0.00566018
25.34118586 -1.42875884 -8.24422258
-0.00046534 -0.00043370 0.00038115
-0.00043980 0.01052908 -0.00108774
9.15449443 -15.89761112 -7.62541687
-0.00030213 0.00035767 0.00012279
0.00201012 0.02495127 -0.00043190
8.61032516 -12.92064313 -7.05797046
0.00023183 -0.00012780 -0.00058705
-0.00601208 0.00137538 0.00654953
-5.37808443 -10.79909696 17.86844329
-0.00039370 -0.00033985 0.00027949
-0.01132510 -0.02129422 -0.01344918
-6.83568849 -10.92870974 15.34334951
-0.00121910 -0.00073226 0.00085400
0.00706742 -0.01013863 0.00357207
9.79779016 2.39869047 -29.78146656
-0.00043807 -0.00127454 0.00123934
-0.02901901 0.01158490 -0.00265522
6.92389047 2.88491005 -30.63212922
0.00004480 0.00157888 -0.00005622
-0.01587240 -0.01247083 -0.00781660
12.48981876 14.66121442 14.56144176
0.00019445 0.00027863 0.00106043
-0.00244462 0.01004168 -0.00656674
11.29597441 16.26897832 16.89858493
0.00037858 -0.00020910 0.00102687
-0.00189829 -0.01263897 -0.02278818
28.83858628 5.06303611 -4.49701435
0.00034394 0.00012698 0.00006256
-0.00362439 0.00400300 0.00365276
26.79428251 6.77437704 -3.23656587
0.00023207 -0.00082653 -0.00105485
-0.02081528 0.00830109 -0.00872734
-9.97566009 4.92612929 6.96678002
0.00002391 -0.00001057 -0.00011269
0.00239909 -0.01270442 -0.01215386
-8.65588419 13.22408548 2.57086023
-0.00004959 0.00008347 0.00006559
0.00274845 -0.00074733 -0.00706718
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09457356
0.33013469
439.88792545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3698855782 (a.u.)
total exchange computation time: 2.6763930321 s
-154.1406654023
-931.42569937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3694635558 (a.u.)
total exchange computation time: 2.6775720119 s
-154.1452487135
Anderson extrapolation: theta=1.3616447398 (1.3616447398)
-931.42594243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3688228364 (a.u.)
total exchange computation time: 2.6763379574 s
-154.1521896373
Anderson extrapolation: theta=0.0597933302 (0.0597933302)
-931.42609191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3687336687 (a.u.)
total exchange computation time: 2.6758890152 s
-154.1532055200
Anderson extrapolation: theta=2.1288557777 (2.0000000000)
-931.42609916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3685484505 (a.u.)
total exchange computation time: 2.6760239601 s
-154.1553343410
Anderson extrapolation: theta=0.3271801503 (0.3271801503)
-931.42610831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3684993511 (a.u.)
total exchange computation time: 2.6778359413 s
-154.1559383022
Anderson extrapolation: theta=1.4287028633 (1.4287028633)
-931.42611073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3684599437 (a.u.)
total exchange computation time: 2.6765511036 s
-154.1565097533
Anderson extrapolation: theta=0.3920216252 (0.3920216252)
-931.42611321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3684742228 (a.u.)
total exchange computation time: 2.6777780056 s
-154.1564527437
Anderson extrapolation: theta=0.9726817864 (0.9726817864)
-931.42611400
-71.942036 22.603256 99.492806
559.403917 1032.231470 -412.283301
487.461881 1054.834726 -312.790495
1203.384094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3685091899 (a.u.)
total exchange computation time: 2.6780881882 s
678.98270498
-1083.53474731
89.66699863
-389.32253362
-174.85002800
78.13269834
551.60419304
0.00000000
-931.42611452
3.90395065 -30.81672856 -2.28213550
0.00001976 0.00031299 0.00000629
-0.00751984 -0.00704648 0.00124382
-11.86690001 -2.18756648 -9.13019910
0.00036452 0.00020351 -0.00008134
-0.00104640 -0.00366750 0.00123020
-37.41184536 2.40052667 -0.10124260
-0.00018312 0.00029002 0.00015339
-0.01556778 0.00418058 0.00543177
-11.48740971 -3.93625868 3.86711366
-0.00031263 -0.00021089 -0.00007296
0.03302561 -0.03142184 -0.01703053
4.68129914 -3.85830473 9.53486551
-0.00039856 -0.00016897 -0.00029571
0.00219067 0.02560197 0.00769393
-31.92687565 -1.04450737 -0.67121564
0.00022393 0.00043131 0.00013795
-0.00124819 -0.02975405 -0.01325521
15.03631365 12.57811619 -14.08126298
-0.00055000 0.00010954 0.00012186
0.05612155 -0.03342369 0.07136854
-7.72919328 5.82236670 2.43556722
0.00006410 0.00020944 0.00004271
0.01316209 -0.01288342 -0.01681033
7.41100268 12.53492757 -5.54614914
0.00031383 0.00015765 -0.00013868
-0.00855832 -0.01659970 0.00668687
8.93907222 9.79632643 -19.08167953
-0.00015629 0.00019508 0.00021888
0.02502879 -0.01474705 -0.01567982
23.23834867 17.41314402 -2.11754646
0.00023809 -0.00028644 -0.00000662
-0.02143975 0.04061754 0.00897574
2.20275210 16.92357754 -19.14882237
0.00027054 -0.00013582 -0.00038399
0.01331308 -0.01746975 0.04258119
14.09018153 -1.47739491 -5.31155287
0.00006063 0.00023015 -0.00015736
-0.01006852 0.00198479 -0.01052080
-16.12301916 -1.87680582 3.32376523
0.00014214 0.00027159 -0.00034295
-0.00370348 -0.00499635 0.00778141
-17.01985735 -1.72337669 19.45355446
0.00011065 -0.00010830 -0.00025786
-0.00693182 0.00724280 -0.01129593
0.24050776 2.16351754 -5.17601846
0.00010858 -0.00008827 0.00026821
-0.00368870 -0.00110566 0.00584235
22.28180758 -7.15748206 -8.98512702
0.00028643 -0.00006013 0.00004584
0.04920342 -0.02371576 0.00865080
-0.43848574 -6.44310812 7.23786620
-0.00008306 0.00012978 -0.00001917
-0.02122842 -0.01673207 0.01183648
-1.90528926 -1.52620179 -19.27321046
0.00024157 0.00010166 -0.00001741
-0.01758858 0.01647438 -0.01046635
3.37536291 2.27757487 -9.29520196
-0.00013432 -0.00019634 0.00011249
0.02647691 -0.01321217 0.01016064
-3.66555089 18.07507565 12.10047494
-0.00021940 -0.00022773 0.00019780
0.01082720 0.00524934 0.03585355
-3.67307723 4.99061104 -11.38496639
-0.00028999 -0.00003075 0.00020278
0.00280245 -0.00598558 0.07683199
-8.19974867 3.28328854 -8.94957650
0.00030971 -0.00017929 -0.00023982
-0.00894633 -0.00701504 0.01141779
1.85799457 27.28064638 8.42497827
0.00040347 0.00018103 0.00022661
-0.00531045 0.00354413 -0.01177433
10.09392564 -6.18788203 -2.01451334
-0.00028849 -0.00005102 0.00010114
-0.00951367 0.01542548 -0.01330323
-8.82164929 0.53272112 5.86941595
0.00022067 0.00035309 0.00011528
-0.00662203 0.02710795 -0.02410709
20.47937619 10.67591117 8.78680316
-0.00027850 -0.00002626 0.00007444
0.00803124 -0.01874195 0.02263604
-2.80164277 -2.15741111 -27.18129789
0.00037972 0.00004139 -0.00004744
-0.01336223 -0.01839981 0.05115929
-14.29063429 6.04968867 7.41906286
-0.00004659 0.00013736 0.00029010
0.00378758 -0.00724746 -0.00991180
-9.95025934 7.15933294 -2.67578665
0.00033922 0.00020194 0.00006190
0.01082242 0.00106377 -0.01893171
-1.67731564 -15.82848866 24.11166946
-0.00039064 0.00011494 -0.00048809
0.04264842 0.02042898 -0.00229536
-2.57803325 6.39282189 -6.46263721
-0.00014316 -0.00012462 0.00010549
-0.00636279 0.01123161 0.01217322
-20.40987809 31.11165940 4.61844674
0.00053313 -0.00004278 -0.00020066
-0.00038736 -0.02616215 -0.04294008
7.56493486 0.00924113 8.11150807
0.00000310 0.00013894 -0.00016252
0.01353483 0.00529104 0.03335001
5.47502802 11.25609505 -13.93625897
0.00032057 0.00008027 0.00017535
0.00325114 -0.00333685 0.02524471
15.88538317 3.21546943 -1.96150198
-0.00032940 -0.00029565 -0.00003274
-0.00443698 0.01445887 0.00225480
-4.07500610 13.62766283 -1.26271143
-0.00028143 -0.00001866 0.00048553
-0.00462001 -0.01414895 0.02246223
4.57320493 12.78364328 3.31584169
-0.00001150 -0.00040854 -0.00007781
-0.04178573 -0.04561270 -0.00010661
24.80198352 -11.82924059 -9.46152868
-0.00000496 0.00012168 -0.00008718
0.02414591 0.00536052 -0.03990963
16.40893041 -3.95507044 -0.35043622
-0.00010670 0.00012870 -0.00013859
0.05205015 -0.01752842 0.00329080
12.91360711 7.87538605 9.83601876
0.00019300 -0.00010174 0.00012592
0.01129022 0.01890344 -0.02191258
1.77667304 -13.77173639 17.70333444
-0.00044842 -0.00015258 -0.00010340
0.00551295 -0.02443499 -0.00344587
-4.42856255 -0.60029852 -14.64973634
-0.00002029 -0.00018068 0.00031265
-0.01073509 -0.02398854 0.05845451
14.95034492 -8.23047872 -9.12265657
0.00030568 0.00040530 0.00039293
0.02424966 0.03106536 0.01594471
8.91113466 -6.52061747 8.50974015
-0.00047625 -0.00032673 0.00021542
-0.01309500 0.02087515 -0.01238806
-21.35235597 2.24398584 22.55581846
0.00002218 0.00003656 0.00005967
0.01077990 0.02570130 0.00288228
25.85845740 -3.08448924 -7.70500454
-0.00004659 -0.00022783 -0.00041784
-0.00308578 -0.01217513 0.01154077
9.84043907 -14.11503144 -7.63731885
-0.00010086 -0.00012933 -0.00019861
0.01034486 -0.01959927 -0.01478704
-6.21001313 -12.05991201 16.70100598
-0.00046641 -0.00038982 0.00010709
0.00934342 0.03014375 0.01765623
8.23675201 3.43993177 -29.53025581
-0.00009431 0.00004485 0.00016113
0.04233176 -0.00908765 0.01367222
10.99260065 15.67899628 15.11709565
-0.00030025 -0.00029562 -0.00001404
-0.00105584 0.00004839 0.04253415
28.45026466 6.08792308 -3.01622671
0.00029700 -0.00021374 -0.00003074
0.01940421 -0.00171128 -0.00279715
5.26540751 -31.41490163 -3.35401422
0.00016676 0.00040918 -0.00015301
0.00756864 -0.00070980 -0.00312204
4.15467404 -31.51664561 -0.62477283
-0.00077541 -0.00070114 -0.00012003
0.00157576 -0.00069098 0.00927392
-11.74244179 -3.97965475 -8.48023084
0.00050089 0.00050025 0.00033248
-0.00555541 0.01588625 -0.01671178
-12.56525490 -2.21053413 -10.83360422
-0.00053994 0.00042009 -0.00025867
0.00593616 -0.00366655 0.01110240
-38.79220576 2.11947267 1.11463982
-0.00012336 0.00034326 -0.00082870
0.01526605 -0.00046489 -0.00940942
-37.79639981 4.05750014 -0.97443525
0.00024217 -0.00040469 0.00041272
0.00324423 -0.01526405 0.00804595
-10.80280303 -5.68226091 3.35176443
-0.00015062 0.00053545 0.00044408
-0.01302791 0.02716416 0.01438739
-9.93590649 -2.93126333 3.63379407
-0.00031633 0.00027397 -0.00024279
-0.01502310 0.00066386 0.00550212
5.54376037 -2.21880507 9.06337013
-0.00012131 0.00031956 -0.00126977
-0.00862117 -0.02249040 0.00383732
4.29855585 -3.52692064 11.32997399
0.00076412 0.00046016 0.00004469
0.00581705 -0.01208369 -0.01117913
-33.35650810 -2.19949977 -0.72216480
0.00013517 0.00028301 -0.00049766
0.00021220 0.01091387 0.00479499
-32.49015633 0.55672987 -0.19159207
-0.00013823 0.00072574 0.00123817
-0.02041791 0.02817742 0.01590627
14.95146106 12.99056133 -15.75153103
-0.00025436 -0.00057190 -0.00005723
-0.01385225 0.02152453 -0.06805508
16.88129502 11.99852785 -13.92257422
0.00002614 -0.00024891 0.00092407
-0.04277514 0.00770818 0.00223520
-8.37097767 7.14488657 1.30630180
-0.00035730 -0.00047780 0.00013501
0.00631739 -0.01503405 0.00571844
-6.98804121 4.48661010 1.24647917
-0.00106097 0.00065639 0.00053553
-0.01925742 0.02768346 0.01615727
6.13061786 12.57182024 -6.81092251
-0.00057797 -0.00058709 -0.00002855
-0.01151108 -0.00176908 -0.01136034
8.70850850 13.64237544 -6.19728993
0.00088870 0.00000357 -0.00073895
0.01872328 0.01511373 -0.00922874
8.96127428 9.07458775 -20.79435006
-0.00018242 -0.00037785 0.00010760
-0.00617622 0.00408946 0.01253438
10.79283627 10.11366040 -18.87671321
-0.00042765 0.00069249 -0.00106602
-0.02344373 0.00830948 0.00136750
24.25908715 15.98592797 -2.57358007
-0.00026691 -0.00125826 -0.00066361
0.01361284 -0.01027944 -0.00385943
24.28194535 18.95869266 -2.22035856
0.00130684 -0.00063058 -0.00045334
0.00221046 -0.01830933 -0.00205406
1.99008223 17.39960080 -20.82701161
-0.00104537 -0.00050485 -0.00098679
-0.01257791 0.00854467 -0.04630840
3.20105412 15.29594127 -19.18307962
-0.00148247 -0.00043979 0.00023702
-0.00614751 0.01128831 0.00398522
13.10327302 -1.91341218 -6.80997276
-0.00085087 0.00194649 0.00028497
0.00302836 0.00621870 -0.00108573
12.84549701 -0.95621389 -4.05908166
-0.00020159 -0.00051474 0.00043047
0.00664989 -0.00564181 -0.00019136
-17.51240336 -3.14425792 3.57806017
-0.00095184 0.00044579 -0.00004035
0.02211744 0.01080776 -0.00615062
-14.47909199 -2.71032509 2.99184828
0.00042976 0.00119930 0.00086629
-0.01810729 0.00146766 0.00850458
-16.44089679 -0.00095085 19.93523533
0.00059154 0.00008611 -0.00068589
0.00469879 -0.01182515 0.00688862
-15.64743660 -2.89555512 19.62651338
0.00050982 -0.00113812 -0.00085208
0.00540189 0.00313401 0.00627748
-0.79579205 0.62835580 -4.98037554
0.00024939 -0.00081513 -0.00061135
-0.00247681 0.00470834 -0.00255890
-0.91963798 3.54665314 -4.76622110
0.00096851 -0.00003018 -0.00008504
0.00257987 -0.00417065 -0.00814320
23.35492551 -8.72573206 -9.19349655
0.00042058 0.00058995 -0.00017449
-0.03049858 0.01235795 0.00062732
23.65116035 -6.09750735 -8.30200630
0.00007454 -0.00025578 -0.00056220
-0.01623842 0.01116456 -0.00283185
0.59296423 -5.96535286 5.81890816
-0.00043486 -0.00037703 -0.00015094
0.00651060 0.01177111 -0.00018876
-0.45782632 -5.23450451 8.60039176
-0.00008981 0.00022198 0.00001667
0.01038569 0.00101780 -0.00690719
-0.99571799 -2.96612312 -18.66046251
-0.00052173 0.00089123 -0.00025309
-0.00357045 -0.01258389 -0.00580807
-3.43677528 -2.00170581 -20.27264264
0.00060108 -0.00000399 -0.00057942
0.02048035 -0.00793333 0.01270298
2.99161831 2.70367040 -10.99007104
-0.00044370 -0.00108519 -0.00082664
-0.01321623 0.00944993 -0.01797181
1.92909905 2.31210048 -8.19002602
-0.00036282 0.00060188 -0.00027201
-0.01209081 0.00744812 0.00915664
-2.31839370 16.81140175 12.66216652
0.00003490 0.00015902 0.00064310
-0.01794795 0.01683384 -0.01342049
-3.67344843 19.26743403 13.59650393
0.00069769 -0.00005503 -0.00066332
0.00185153 -0.02099532 -0.02346530
-4.12896984 6.17571110 -12.52724548
-0.00088028 0.00040934 0.00125220
-0.01861070 0.04871173 -0.05116640
-3.05652884 3.55051477 -12.12166932
0.00050407 0.00055414 0.00089754
0.01213893 -0.04730492 -0.03117302
-7.65675961 2.29653566 -7.49880515
-0.00003028 -0.00014000 0.00048988
0.00068269 -0.00016489 -0.00692148
-6.68893975 3.94436488 -9.70340369
-0.00004811 -0.00109635 0.00129262
0.00508637 0.00235368 -0.00270105
1.91982535 28.22325511 6.79099884
0.00030389 0.00023358 -0.00028876
-0.00165941 -0.00757629 0.02429550
0.16288388 27.49286912 9.09197573
0.00093920 0.00002508 -0.00007499
0.00855422 0.00537567 -0.00659614
10.91009365 -6.65629478 -0.49042247
-0.00027354 -0.00064519 -0.00009633
0.01503296 -0.01090574 0.01979357
8.87657774 -7.50230616 -2.29225199
-0.00036244 0.00029296 -0.00097229
-0.00468605 -0.00362585 -0.00188289
-7.09033527 0.16425400 6.36130335
0.00018590 0.00050920 -0.00051703
0.00680778 -0.00948652 0.00981232
-9.93812603 -0.40924321 6.88189032
0.00054040 -0.00142935 0.00029670
-0.01151569 -0.01402397 0.01589451
21.49362045 10.45324259 10.34381585
0.00095687 -0.00022500 -0.00024154
-0.00954690 -0.00898618 -0.01247303
20.64068102 12.45408291 8.64806501
0.00067757 0.00029019 -0.00016241
0.00409253 0.03213573 -0.01434713
-1.63845757 -3.06881078 -25.93885209
0.00043870 -0.00059409 -0.00034479
-0.01822114 0.00812158 -0.02861818
-4.50479807 -2.30778175 -26.25769867
0.00039103 0.00003417 -0.00073285
0.03763743 0.00647942 -0.02396538
-14.48022869 7.07060530 8.91527177
0.00058494 0.00002789 0.00042733
-0.00437657 0.00707058 -0.01031790
-14.46979117 7.11342695 5.90670944
-0.00110812 0.00012336 0.00046564
-0.00199897 0.00114010 0.01700123
-11.23398321 6.64326765 -3.90934762
-0.00020161 -0.00045913 0.00068750
0.00886271 0.01192007 0.00920402
-8.74271693 8.17774339 -3.70931002
0.00057115 0.00042155 0.00039176
-0.01417923 -0.00690996 0.00815142
-1.17437554 -17.47203489 23.51605717
0.00049206 -0.00007228 -0.00024306
0.00865818 -0.01558956 -0.00660207
-3.38372716 -15.84917750 24.47596364
0.00121015 0.00082002 -0.00013035
-0.04629167 0.00072501 0.00978205
-3.24350177 5.62224300 -7.96623101
0.00062546 0.00000770 0.00033648
0.00488847 -0.00099366 -0.00902531
-3.82713237 7.71463701 -6.08152606
0.00095645 -0.00016279 -0.00044472
-0.00007430 -0.00312840 0.00061765
-21.56277536 30.20516369 3.30343879
0.00100099 0.00074360 -0.00150035
0.01296901 0.01042806 0.02098688
-21.51174374 32.31285895 5.34079751
0.00065384 0.00055363 -0.00010905
-0.02102803 0.01166349 0.02117644
6.95224655 -0.33949613 6.44831561
0.00011348 -0.00047577 -0.00065822
-0.00975839 0.00555951 -0.02724847
7.10391238 1.66889408 8.74472853
0.00093432 0.00016192 0.00006764
-0.00144071 -0.00514754 -0.01725952
6.64059951 12.53344616 -13.30781048
-0.00036716 0.00055640 -0.00057947
0.00441120 0.00111156 -0.00756211
4.51029564 12.15791413 -15.17382286
-0.00109351 0.00072864 -0.00071543
-0.00297116 0.00538312 -0.00509085
14.53280971 4.30475018 -2.65650530
-0.00024596 -0.00096650 -0.00100493
0.00756736 -0.00825924 0.00615349
15.36339581 1.48993083 -2.11280964
-0.00081026 -0.00106470 0.00043258
-0.00115350 -0.00482439 -0.00396222
-2.44372195 13.44494311 -0.43247384
0.00017426 0.00027115 -0.00024725
-0.00515542 0.00122144 -0.00757645
-5.31142644 13.17520403 0.11475149
-0.00032088 -0.00039262 -0.00006281
0.00789722 0.00268316 -0.01479971
3.63576805 10.98274309 3.67766127
0.00047008 -0.00005436 -0.00023548
0.01537163 0.03752321 -0.01098937
6.29964348 12.41136493 3.59597821
-0.00042663 -0.00012663 0.00021821
0.02807539 -0.00549019 -0.00015417
25.06883976 -13.51409633 -8.77106015
0.00075898 0.00055229 0.00001072
-0.00204197 0.01000879 -0.00293443
25.81275918 -11.65469503 -11.14276041
0.00122529 0.00036671 0.00015426
-0.01757855 -0.00948619 0.03178789
14.71497212 -3.89450695 -0.87098621
-0.00010725 -0.00049366 -0.00022851
-0.01661009 -0.00080733 -0.00681756
17.23718506 -5.64413324 -0.80227228
0.00029451 0.00019860 -0.00007977
-0.02140321 0.02832670 0.00431785
11.80801946 8.00334052 11.23121092
-0.00014808 0.00066768 0.00075467
-0.01465515 -0.00358286 0.03105723
12.83491260 9.58617276 9.12857816
-0.00041006 0.00029856 0.00028185
0.01138201 -0.00642121 0.00081806
0.15404683 -14.25911035 16.99965095
-0.00011822 -0.00054006 0.00026952
-0.00201431 -0.00668209 -0.00251987
1.62842471 -12.05683224 18.11856080
0.00060779 -0.00000315 0.00050916
0.00044126 0.02911372 0.00786969
-4.25731050 -2.09731218 -13.44285161
0.00053050 -0.00078966 0.00007977
-0.00344329 0.03074120 -0.02100454
-3.16187895 -0.79031426 -15.87016630
0.00063796 0.00101133 -0.00023536
0.02438269 -0.00617170 -0.03069260
14.80991823 -8.35438823 -10.94903551
-0.00133160 0.00127520 -0.00029889
-0.00348230 -0.00359165 -0.00879237
15.93575533 -6.58716479 -8.87697877
-0.00048829 -0.00011667 -0.00097854
-0.01235756 -0.03039402 -0.01013469
7.30136292 -5.70458877 9.09202168
0.00045137 -0.00088752 0.00060233
0.01134188 -0.00439291 -0.00255830
9.34119931 -5.38681419 7.06600415
0.00006662 -0.00038236 0.00005026
0.00067185 -0.01953383 0.01684215
-20.79331824 2.39570935 20.81260127
-0.00043248 0.00002259 0.00090618
-0.00905997 -0.01445731 0.00319038
-21.90254986 0.60096864 23.08827921
0.00050215 -0.00027405 0.00072800
-0.00520276 -0.01112429 -0.00444820
26.38636398 -2.82634157 -5.94967474
-0.00018644 -0.00028498 -0.00039092
0.00196718 0.00336004 -0.00559519
25.33419223 -1.43494176 -8.23853874
-0.00046881 -0.00038627 0.00037446
-0.00125733 0.01268830 -0.00218626
9.15002401 -15.89148148 -7.62358831
-0.00029421 0.00045502 0.00012083
0.00186828 0.02270306 -0.00052777
8.61361845 -12.92251799 -7.06657559
0.00020372 -0.00011805 -0.00055839
-0.00774928 0.00339506 0.00748404
-5.38433689 -10.80484717 17.87222357
-0.00044070 -0.00042758 0.00022310
-0.01168241 -0.02165221 -0.01415798
-6.85375842 -10.94000434 15.35626891
-0.00119168 -0.00076991 0.00086418
0.00635555 -0.00828939 0.00141305
9.79032991 2.37992733 -29.76295784
-0.00055997 -0.00122465 0.00122722
-0.03065261 0.01283895 -0.00327918
6.92407602 2.90821103 -30.63321199
-0.00002442 0.00152476 -0.00009258
-0.01800778 -0.01401917 -0.00998466
12.49266055 14.66570154 14.57714691
0.00018619 0.00031773 0.00103081
-0.00159523 0.00909934 -0.00792966
11.30159490 16.26545459 16.91328973
0.00036701 -0.00026334 0.00092308
-0.00376296 -0.01391360 -0.02801854
28.84363430 5.06506353 -4.49596404
0.00033136 0.00014034 0.00007472
-0.00253108 0.00253258 0.00230273
26.79712579 6.76223343 -3.25265602
0.00014685 -0.00079174 -0.00108907
-0.02090064 0.00872839 -0.00802450
-9.97529496 4.92593657 6.96505711
0.00002477 -0.00001508 -0.00011701
0.00237707 -0.01247437 -0.01199185
-8.65662321 13.22533618 2.57183174
-0.00004895 0.00008329 0.00006393
0.00273239 -0.00078484 -0.00724637
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09424402
0.33187050
442.20080005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3695518013 (a.u.)
total exchange computation time: 2.6762309074 s
-154.1342743484
-931.42814812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3691369006 (a.u.)
total exchange computation time: 2.6757800579 s
-154.1385536755
Anderson extrapolation: theta=1.3631630491 (1.3631630491)
-931.42838651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3684745649 (a.u.)
total exchange computation time: 2.6808350086 s
-154.1452180453
Anderson extrapolation: theta=0.0607992266 (0.0607992266)
-931.42853301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3683563286 (a.u.)
total exchange computation time: 2.6770610809 s
-154.1463420053
Anderson extrapolation: theta=2.1427748025 (2.0000000000)
-931.42854006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3680950028 (a.u.)
total exchange computation time: 2.6770110130 s
-154.1487720490
Anderson extrapolation: theta=0.3284614452 (0.3284614452)
-931.42854873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3680072409 (a.u.)
total exchange computation time: 2.6788771152 s
-154.1495435530
Anderson extrapolation: theta=1.3468910505 (1.3468910505)
-931.42855087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3679120111 (a.u.)
total exchange computation time: 2.6752588749 s
-154.1503384617
Anderson extrapolation: theta=0.3863539183 (0.3863539183)
-931.42855284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3679000336 (a.u.)
total exchange computation time: 2.6774439812 s
-154.1503981864
Anderson extrapolation: theta=0.9393087648 (0.9393087648)
-931.42855343
-71.911998 22.602856 99.463011
559.418093 1032.223871 -412.295616
487.506095 1054.826727 -312.832604
1203.405940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3679081249 (a.u.)
total exchange computation time: 2.6760029793 s
678.97430200
-1083.50460407
89.66265761
-389.34498236
-174.84801885
78.11382530
551.60419304
0.00000000
-931.42855379
3.90421806 -30.81206089 -2.28203636
0.00001618 0.00030901 0.00000701
-0.00641344 -0.00843599 0.00154271
-11.86143623 -2.18452805 -9.13141439
0.00036368 0.00020190 -0.00008144
-0.00221621 -0.00258663 -0.00165543
-37.41465226 2.40489309 -0.09892085
-0.00018998 0.00029142 0.00015581
-0.01111186 0.00126386 0.00399594
-11.49197175 -3.93954325 3.86595354
-0.00029552 -0.00022580 -0.00008141
0.03350781 -0.02656389 -0.01581449
4.67532917 -3.86074056 9.53045959
-0.00039697 -0.00015491 -0.00029179
0.00399125 0.02909679 0.00755507
-31.92352159 -1.03815251 -0.66919749
0.00022247 0.00041748 0.00013158
-0.00439953 -0.02403209 -0.01151693
15.02828006 12.57963039 -14.07915980
-0.00052059 0.00009234 0.00015840
0.05824541 -0.03345402 0.07071135
-7.72818096 5.82545855 2.43614309
0.00007042 0.00020320 0.00003527
0.01141208 -0.01136673 -0.01212256
7.41567711 12.53722833 -5.54820347
0.00030913 0.00014959 -0.00013617
-0.00971590 -0.01473766 0.00306133
8.93682439 9.79919571 -19.07845682
-0.00014387 0.00018719 0.00021006
0.02326589 -0.01592189 -0.01861813
23.24183730 17.40900416 -2.11761109
0.00022804 -0.00026616 -0.00000237
-0.01765577 0.03821004 0.00755376
2.20686160 16.92147280 -19.15441791
0.00027659 -0.00014351 -0.00036350
0.01021747 -0.01241814 0.03706790
14.09105210 -1.47393498 -5.31395378
0.00005496 0.00023148 -0.00016190
-0.01197417 0.00318483 -0.00714893
-16.12090134 -1.87275126 3.31865094
0.00013890 0.00026918 -0.00033854
-0.00889808 -0.00436014 0.00939730
-17.01822437 -1.72497328 19.44964291
0.00010850 -0.00010553 -0.00026347
-0.00142867 0.00355519 -0.01049548
0.24212222 2.16218919 -5.17197281
0.00010723 -0.00009014 0.00027086
-0.00155219 -0.00613786 0.00448488
22.28629377 -7.15847550 -8.98440608
0.00031083 -0.00007221 0.00005003
0.04569944 -0.02327325 0.00766366
-0.43981355 -6.44122601 7.23762432
-0.00009425 0.00012104 -0.00001265
-0.02227605 -0.01722524 0.01350975
-1.90173351 -1.52461331 -19.27351204
0.00023142 0.00011185 -0.00002364
-0.02187976 0.02313485 -0.01373308
3.37345024 2.27457874 -9.29347544
-0.00012118 -0.00020266 0.00011603
0.02462798 -0.01135365 0.00360162
-3.66880019 18.07167987 12.10358021
-0.00021352 -0.00022553 0.00021561
0.01204099 0.00333572 0.03341340
-3.67741628 4.99012669 -11.38162830
-0.00028885 -0.00003319 0.00024308
0.00161737 -0.00351743 0.07986067
-8.19513750 3.28057215 -8.95312981
0.00030332 -0.00018436 -0.00023209
-0.01591646 -0.01269900 0.01865990
1.86402615 27.28337556 8.42833197
0.00040189 0.00018304 0.00021951
-0.00083442 0.00424235 -0.01584666
10.08956160 -6.18858790 -2.01304749
-0.00029323 -0.00004295 0.00009429
-0.00890719 0.01598061 -0.01335231
-8.81836477 0.53812205 5.87105221
0.00021555 0.00036594 0.00010397
-0.01330819 0.02284255 -0.01987141
20.47522970 10.67544503 8.78800707
-0.00027384 -0.00003492 0.00008643
0.01008369 -0.01494101 0.02398155
-2.79599859 -2.15686125 -27.18181211
0.00037340 0.00003184 -0.00002153
-0.01118215 -0.01871632 0.04959004
-14.29131848 6.05172118 7.42337606
-0.00004466 0.00013356 0.00028506
0.00368767 -0.00756057 -0.00967013
-9.94512931 7.16236611 -2.67493122
0.00034457 0.00020239 0.00005231
0.01000074 0.00068709 -0.01834898
-1.68301079 -15.82668573 24.10433931
-0.00036455 0.00012499 -0.00049039
0.05881284 0.01863159 -0.00665587
-2.58020520 6.39099595 -6.46100793
-0.00014498 -0.00011943 0.00011232
-0.00071575 0.00893933 0.01437836
-20.40188256 31.11091676 4.61527122
0.00053229 -0.00005577 -0.00022264
-0.00290979 -0.02434462 -0.04254465
7.56503352 0.01134561 8.10919888
0.00000983 0.00014092 -0.00014643
0.01263939 0.00242322 0.02924221
5.47984915 11.25728616 -13.93353127
0.00031991 0.00007978 0.00018578
-0.00583432 0.00143932 0.01529112
15.88042508 3.21109044 -1.96198437
-0.00033214 -0.00029004 -0.00003179
-0.00622687 0.00735249 0.00143202
-4.07924532 13.62732841 -1.25534188
-0.00028343 -0.00002579 0.00049650
-0.00315980 -0.01359048 0.02020542
4.57287121 12.77733929 3.31467409
-0.00003360 -0.00043147 -0.00007802
-0.04413651 -0.04356327 -0.00071045
24.80200227 -11.82739478 -9.46299037
0.00000777 0.00012487 -0.00010817
0.02535810 0.00704717 -0.04169889
16.40753063 -3.95320753 -0.35250231
-0.00008002 0.00011970 -0.00013695
0.05171188 -0.01747724 0.00307490
12.91654561 7.87393287 9.83782303
0.00019752 -0.00009128 0.00011595
0.00628779 0.02177083 -0.01686947
1.76996807 -13.77411933 17.70177011
-0.00044479 -0.00016454 -0.00010473
0.00859513 -0.02206187 -0.00170398
-4.42890827 -0.60310121 -14.64482111
-0.00002439 -0.00019351 0.00034151
-0.00521613 -0.02591421 0.05377715
14.95502361 -8.22427934 -9.11670107
0.00031723 0.00042014 0.00039913
0.02068873 0.02663609 0.00815917
8.90394036 -6.52543790 8.51292361
-0.00048162 -0.00031657 0.00020849
-0.00776664 0.01864733 -0.01456009
-21.35198173 2.24463343 22.55672466
0.00002693 0.00004903 0.00006317
0.00769246 0.02279064 0.01072227
25.85774661 -3.08795364 -7.71122755
-0.00004804 -0.00023442 -0.00041167
-0.00254282 -0.01345463 0.01242019
9.83896607 -14.11704704 -7.64035505
-0.00009501 -0.00013913 -0.00020644
0.01240724 -0.01848423 -0.01567306
-6.21697326 -12.06564307 16.70268047
-0.00046136 -0.00037484 0.00011684
0.01030726 0.02812774 0.02024255
8.23550065 3.44056940 -29.52778619
-0.00007203 0.00004020 0.00016869
0.04432366 -0.00896204 0.01574395
10.98809276 15.67456213 15.11704919
-0.00030058 -0.00029508 0.00000925
-0.00019144 0.00207575 0.04800130
28.45479457 6.08471030 -3.01669867
0.00030643 -0.00021413 -0.00003206
0.01725848 0.00022090 -0.00231695
5.26814090 -31.40878566 -3.35640497
0.00019623 0.00040679 -0.00016421
0.00685461 -0.00046136 -0.00236415
4.14309122 -31.52718392 -0.62628910
-0.00076874 -0.00070255 -0.00008502
0.00168840 0.00000086 0.00786606
-11.73509872 -3.97166427 -8.47575577
0.00047772 0.00056330 0.00026359
-0.00578694 0.01497761 -0.01700980
-12.57317208 -2.20434512 -10.83714411
-0.00051288 0.00040458 -0.00020659
0.00730931 -0.00392841 0.01439359
-38.79358832 2.12460738 1.10192102
-0.00006840 0.00033938 -0.00085989
0.01163626 -0.00143842 -0.00585955
-37.79266783 4.05096204 -0.96799795
0.00025387 -0.00045983 0.00044165
0.00248406 -0.01172536 0.00611743
-10.80546159 -5.67339673 3.35886656
-0.00020179 0.00063905 0.00050018
-0.01201782 0.02354627 0.01307398
-9.94111183 -2.92713350 3.63032088
-0.00038040 0.00027471 -0.00021985
-0.01633901 -0.00029980 0.00572595
5.54167658 -2.21470091 9.04444112
-0.00015997 0.00022113 -0.00125109
-0.01030395 -0.02568797 0.00530666
4.31019595 -3.52038848 11.33030185
0.00078770 0.00041063 -0.00000328
0.00572418 -0.01216167 -0.01230300
-33.35447399 -2.19492024 -0.72948283
0.00013749 0.00032887 -0.00047755
0.00092177 0.01153747 0.00505042
-32.49285546 0.56847942 -0.17253210
-0.00021705 0.00082730 0.00129909
-0.01816262 0.02153712 0.01391314
14.94722123 12.98264244 -15.75447490
-0.00030970 -0.00048576 -0.00033196
-0.01323709 0.02064035 -0.06642798
16.88037632 11.99503040 -13.90864473
-0.00015421 -0.00021522 0.00093171
-0.04550456 0.00878556 0.00150697
-8.37614357 7.13725889 1.30850215
-0.00033381 -0.00053415 0.00015514
0.00517918 -0.01255006 0.00413780
-7.00454591 4.49730429 1.25500724
-0.00113416 0.00076135 0.00059556
-0.01656808 0.02369623 0.01322890
6.12159554 12.56295968 -6.81169889
-0.00061691 -0.00059365 -0.00006863
-0.00754872 -0.00144205 -0.00825839
8.72241273 13.64289214 -6.20865690
0.00095860 0.00006115 -0.00077511
0.01549318 0.01307154 -0.00847513
8.95834877 9.06904531 -20.79235193
-0.00020883 -0.00035965 0.00016228
-0.00675314 0.00481987 0.01423166
10.78570318 10.12430239 -18.89266165
-0.00051856 0.00072733 -0.00105799
-0.02105805 0.00874491 0.00256608
24.25550065 15.96673902 -2.58365252
-0.00021693 -0.00129212 -0.00067629
0.01085237 -0.00629563 -0.00234835
24.30161573 18.94867296 -2.22722159
0.00131338 -0.00070759 -0.00046137
0.00098905 -0.01939061 -0.00187653
1.97401620 17.39228984 -20.84323257
-0.00109479 -0.00047515 -0.00116313
-0.01161068 0.00599658 -0.04000721
3.17862864 15.28969030 -19.17940217
-0.00150261 -0.00039762 0.00025130
-0.00371153 0.00935277 0.00300232
13.09060278 -1.88402426 -6.80573146
-0.00083909 0.00196962 0.00027571
0.00273795 0.00510200 -0.00344621
12.84267688 -0.96410790 -4.05263044
-0.00016972 -0.00053806 0.00042769
0.00895401 -0.00577059 -0.00117275
-17.52600322 -3.13723994 3.57726638
-0.00085413 0.00049258 -0.00006727
0.02571416 0.01209952 -0.00702702
-14.47320050 -2.69229058 3.00510319
0.00035874 0.00120033 0.00089921
-0.01665765 -0.00096694 0.00761183
-16.43187963 -0.00002161 19.92515810
0.00061001 0.00003485 -0.00065813
0.00434146 -0.01326491 0.00669716
-15.63962382 -2.91253090 19.61392462
0.00052117 -0.00111513 -0.00082748
0.00015546 0.00811928 0.00576435
-0.79212715 0.61627317 -4.98962417
0.00024072 -0.00078965 -0.00062122
-0.00176759 0.00776462 -0.00227513
-0.90503134 3.54607263 -4.76774620
0.00097263 -0.00004308 -0.00011588
-0.00055936 -0.00214303 -0.00695272
23.36029963 -8.71650410 -9.19609473
0.00029810 0.00063499 -0.00017272
-0.02945376 0.00968965 0.00024118
23.65178082 -6.10100193 -8.31052603
0.00001298 -0.00020536 -0.00057095
-0.01389199 0.01351593 -0.00145383
0.58664086 -5.97064761 5.81663825
-0.00040630 -0.00032722 -0.00015392
0.00746734 0.01261176 -0.00126676
-0.45885525 -5.23114357 8.60043019
-0.00004699 0.00022545 -0.00001284
0.01057666 0.00067684 -0.00753796
-1.00365334 -2.95314028 -18.66443689
-0.00052682 0.00082540 -0.00027025
0.00108018 -0.01964200 -0.00258967
-3.42713147 -2.00200879 -20.28094471
0.00068402 -0.00003546 -0.00052722
0.02011640 -0.00746922 0.01284861
2.98455785 2.68768206 -11.00302142
-0.00049400 -0.00104978 -0.00088716
-0.01140606 0.00788477 -0.01165178
1.92328633 2.32135695 -8.19382565
-0.00041180 0.00063178 -0.00023418
-0.01188901 0.00718506 0.00936382
-2.31842011 16.81430288 12.67140173
-0.00003902 0.00022666 0.00058686
-0.01823953 0.01627637 -0.01410678
-3.66292631 19.26596518 13.58583505
0.00070331 -0.00013579 -0.00075368
0.00089825 -0.01853375 -0.02076509
-4.14274439 6.18334383 -12.51003041
-0.00095664 0.00060841 0.00104204
-0.01876841 0.04873823 -0.05170793
-3.04859580 3.55737737 -12.10916140
0.00055684 0.00035598 0.00076546
0.01369221 -0.04969805 -0.03348254
-7.65719291 2.29443057 -7.49166912
-0.00003055 -0.00013748 0.00045676
-0.00081223 0.00140160 -0.00928841
-6.68950560 3.92799176 -9.68409722
-0.00001018 -0.00107833 0.00127177
0.01348105 0.00646596 -0.00750150
1.92433289 28.22652666 6.78741192
0.00029700 0.00020018 -0.00018522
-0.00171260 -0.00877228 0.02638986
0.17723404 27.49341012 9.09064882
0.00096465 0.00004827 -0.00009827
0.00390333 0.00597480 -0.00480128
10.90645118 -6.66630688 -0.49126084
-0.00021310 -0.00069023 -0.00001612
0.01455178 -0.01113808 0.01946715
8.87099761 -7.49802285 -2.30689406
-0.00038154 0.00027756 -0.00097946
-0.00466355 -0.00391214 -0.00162783
-7.08733821 0.17160126 6.35384860
0.00021655 0.00046977 -0.00047608
0.00819949 -0.00981290 0.01023152
-9.93037292 -0.43111318 6.88682790
0.00050390 -0.00147750 0.00035211
-0.00635292 -0.00954513 0.01123033
21.50768095 10.44959220 10.33981060
0.00091456 -0.00026098 -0.00029610
-0.01116255 -0.00862645 -0.01423666
20.65096995 12.45942056 8.64518916
0.00069327 0.00041327 -0.00022025
0.00359381 0.02810931 -0.01396169
-1.63243540 -3.07747319 -25.94490090
0.00036351 -0.00055993 -0.00046121
-0.01858469 0.00859839 -0.02837077
-4.49777934 -2.30707060 -26.26942584
0.00054166 0.00006041 -0.00082798
0.03609811 0.00636413 -0.02260094
-14.47158877 7.07124033 8.92136551
0.00056697 0.00005687 0.00038546
-0.00441553 0.00711609 -0.01017514
-14.48647417 7.11531223 5.91421498
-0.00111561 0.00012832 0.00053461
-0.00166935 0.00129036 0.01676077
-11.23673573 6.63674602 -3.89875309
-0.00016267 -0.00040861 0.00072532
0.01019735 0.01280895 0.00930993
-8.73458423 8.18385492 -3.70318379
0.00051169 0.00039219 0.00042371
-0.01492542 -0.00746198 0.00748863
-1.16672932 -17.47359681 23.51220894
0.00052389 -0.00013103 -0.00026781
0.00692202 -0.01316773 -0.00551426
-3.36699348 -15.83685504 24.47430816
0.00099218 0.00082156 -0.00008418
-0.06040525 0.00003268 0.01281661
-3.23397009 5.62232807 -7.96146032
0.00064200 0.00000027 0.00029255
0.00320750 -0.00264414 -0.01248229
-3.81278793 7.71209928 -6.08817793
0.00094795 -0.00016795 -0.00043994
-0.00408667 0.00060275 0.00172008
-21.54736303 30.21663718 3.28157669
0.00105361 0.00078683 -0.00141105
0.01278645 0.01073417 0.02272575
-21.50258049 32.32152079 5.33981067
0.00057185 0.00059528 -0.00002641
-0.01910830 0.00872307 0.01927875
6.95364966 -0.34646233 6.43760738
0.00007632 -0.00044989 -0.00076132
-0.00842747 0.00711122 -0.02322072
7.11788310 1.67116516 8.74521419
0.00092697 0.00014314 -0.00000324
-0.00216103 -0.00404663 -0.01743680
6.63522735 12.54182624 -13.31673427
-0.00034496 0.00056458 -0.00060804
0.00645223 0.00289070 -0.00642471
4.49380189 12.16900863 -15.18471030
-0.00109132 0.00073711 -0.00071802
0.00404296 -0.00123642 0.00382074
14.52935222 4.28999952 -2.67139067
-0.00021530 -0.00099873 -0.00097943
0.00744009 -0.00751440 0.00632745
15.35120655 1.47381248 -2.10644241
-0.00081048 -0.00107138 0.00041767
0.00104838 0.00155435 -0.00333542
-2.44126600 13.44904778 -0.43641469
0.00015137 0.00027564 -0.00027726
-0.00605163 0.00097822 -0.00711549
-5.31599757 13.16939697 0.11335578
-0.00028943 -0.00038213 -0.00011967
0.00749723 0.00244931 -0.01303115
3.64329023 10.98307744 3.67379239
0.00053163 0.00009610 -0.00027971
0.01476010 0.03613006 -0.01066157
6.29410432 12.40929720 3.59924669
-0.00030562 -0.00014988 0.00021843
0.03115994 -0.00588762 0.00025811
25.08016184 -13.50550531 -8.77098925
0.00075067 0.00058939 0.00000055
-0.00202619 0.00815274 -0.00204291
25.83059982 -11.64948501 -11.13947246
0.00115093 0.00032810 0.00028552
-0.01881936 -0.00941626 0.03246591
14.71285438 -3.90193661 -0.87462282
-0.00017389 -0.00049718 -0.00025588
-0.01601152 -0.00091753 -0.00657816
17.24094687 -5.64028625 -0.80333651
0.00020659 0.00031396 -0.00006189
-0.02163657 0.02814573 0.00443593
11.80534924 8.01324592 11.24348269
-0.00019903 0.00065074 0.00087082
-0.01028799 -0.00471106 0.02579708
12.82911053 9.59045433 9.13283099
-0.00036242 0.00026834 0.00028551
0.01193834 -0.00837169 0.00097159
0.15221176 -14.26741607 17.00361658
-0.00013100 -0.00056626 0.00025768
-0.00423855 -0.00614179 -0.00327845
1.63755507 -12.05598734 18.12643936
0.00060831 0.00010991 0.00053925
-0.00018891 0.02623140 0.00685773
-4.24945853 -2.10821504 -13.44229873
0.00051623 -0.00066152 -0.00000811
-0.00354124 0.03198148 -0.02201240
-3.15156232 -0.77533348 -15.87463728
0.00072663 0.00098731 -0.00034954
0.01902153 -0.00558326 -0.02519586
14.78983759 -8.33537028 -10.95378831
-0.00134512 0.00125928 -0.00032361
-0.00314032 -0.00420086 -0.00330720
15.92805232 -6.58984615 -8.89196740
-0.00053231 -0.00023093 -0.00101541
-0.00919115 -0.02553939 -0.00791242
7.30848098 -5.71803616 9.10097831
0.00048901 -0.00089982 0.00059366
0.00708668 -0.00162934 -0.00168752
9.34221921 -5.39314817 7.06727416
0.00006739 -0.00046298 0.00012126
-0.00029336 -0.01992872 0.01791340
-20.80008313 2.39560515 20.82629167
-0.00046486 -0.00003575 0.00090521
-0.00678959 -0.01410179 -0.00366362
-21.89517700 0.59651706 23.09906293
0.00048245 -0.00031390 0.00070787
-0.00444013 -0.00838433 -0.00540633
26.38362772 -2.83051326 -5.95571002
-0.00017790 -0.00027185 -0.00041336
0.00221335 0.00306602 -0.00539077
25.32712155 -1.44034706 -8.23298888
-0.00047534 -0.00033091 0.00036355
-0.00194119 0.01441168 -0.00315045
9.14566809 -15.88396047 -7.62179210
-0.00028724 0.00054208 0.00011851
0.00154463 0.01991044 -0.00060357
8.61643682 -12.92418477 -7.07472204
0.00016911 -0.00010049 -0.00052618
-0.00919457 0.00520239 0.00827871
-5.39130532 -10.81192436 17.87513616
-0.00048848 -0.00051574 0.00016474
-0.01170987 -0.02150263 -0.01440610
-6.87143885 -10.95180698 15.36927491
-0.00116747 -0.00079966 0.00086522
0.00549479 -0.00627603 -0.00090158
9.78099108 2.36195104 -29.74465008
-0.00068713 -0.00117044 0.00121237
-0.03159565 0.01369554 -0.00398909
6.92315795 2.93065283 -30.63490668
-0.00010082 0.00146513 -0.00013647
-0.01939426 -0.01516778 -0.01149636
12.49540458 14.67074632 14.59236609
0.00018149 0.00035292 0.00099570
-0.00070741 0.00812705 -0.00925514
11.30698478 16.26107816 16.92627739
0.00034814 -0.00032200 0.00080007
-0.00547684 -0.01480018 -0.03219854
28.84852720 5.06724617 -4.49477260
0.00032338 0.00014749 0.00008109
-0.00137939 0.00096786 0.00081472
26.79868814 6.75062476 -3.26923796
0.00006303 -0.00075592 -0.00112013
-0.02013322 0.00880866 -0.00718154
-9.97491708 4.92567687 6.96326981
0.00002561 -0.00001950 -0.00012126
0.00234507 -0.01223844 -0.01177091
-8.65735273 13.22658415 2.57277801
-0.00004832 0.00008310 0.00006223
0.00266973 -0.00081288 -0.00735899
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09426506
0.33428873
445.42297431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3688717308 (a.u.)
total exchange computation time: 2.6766970158 s
-154.1306891653
-931.43098834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3685198056 (a.u.)
total exchange computation time: 2.6801559925 s
-154.1345178014
Anderson extrapolation: theta=1.3418832078 (1.3418832078)
-931.43121595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3679593797 (a.u.)
total exchange computation time: 2.6773669720 s
-154.1404829051
Anderson extrapolation: theta=0.0513243524 (0.0513243524)
-931.43135055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3678589724 (a.u.)
total exchange computation time: 2.6772940159 s
-154.1415075262
Anderson extrapolation: theta=1.8379029834 (1.8379029834)
-931.43135523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3676496290 (a.u.)
total exchange computation time: 2.6776618958 s
-154.1436095540
Anderson extrapolation: theta=0.2183200264 (0.2183200264)
-931.43135973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3675956227 (a.u.)
total exchange computation time: 2.6761851311 s
-154.1441301714
Anderson extrapolation: theta=1.8260903785 (1.8260903785)
-931.43136055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3675137221 (a.u.)
total exchange computation time: 2.6767649651 s
-154.1449088565
Anderson extrapolation: theta=0.2986452686 (0.2986452686)
-931.43136156
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3675072520 (a.u.)
total exchange computation time: 2.6808679104 s
-154.1449632855
Anderson extrapolation: theta=1.2931061309 (1.2931061309)
-931.43136183
-71.888997 22.613728 143.799267
559.428018 1032.218930 -412.311865
487.539020 1054.832657 -268.512598
1192.671474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3675129819 (a.u.)
total exchange computation time: 2.6771590710 s
678.96752067
-1083.47955154
89.65892503
-389.36431237
-174.84643086
78.09753838
551.60419304
0.00000000
-931.43136205
3.90443599 -30.80745830 -2.28192533
0.00001320 0.00030427 0.00000792
-0.00517057 -0.00998296 0.00200314
-11.85598954 -2.18150958 -9.13264245
0.00036227 0.00020092 -0.00008297
-0.00327519 -0.00120088 -0.00425737
-37.41754487 2.40926926 -0.09656826
-0.00019440 0.00029122 0.00015748
-0.00605855 -0.00203415 0.00251191
-11.49627528 -3.94303276 3.86467142
-0.00027836 -0.00023806 -0.00008915
0.03321925 -0.02109859 -0.01428788
4.66938999 -3.86295192 9.52611195
-0.00039452 -0.00013924 -0.00028799
0.00555887 0.03183244 0.00721466
-31.92020147 -1.03198305 -0.66726819
0.00021937 0.00040686 0.00012622
-0.00767838 -0.01725257 -0.00933103
15.02069581 12.58088650 -14.07651110
-0.00049044 0.00007543 0.00019368
0.05902953 -0.03231776 0.06649470
-7.72708060 5.82846271 2.43662544
0.00007583 0.00019790 0.00003042
0.00962201 -0.00924985 -0.00674120
7.42027659 12.53941539 -5.55023419
0.00030388 0.00014255 -0.00013562
-0.01070422 -0.01264375 -0.00091494
8.93475605 9.80194217 -19.07537775
-0.00013249 0.00017873 0.00019986
0.02098405 -0.01696524 -0.02104553
23.24518973 17.40515907 -2.11761745
0.00021994 -0.00024732 0.00000113
-0.01383642 0.03506341 0.00602874
2.21104993 16.91927227 -19.15972749
0.00028094 -0.00014843 -0.00034624
0.00669671 -0.00670113 0.03005977
14.09183029 -1.47045047 -5.31640985
0.00004836 0.00023337 -0.00016478
-0.01368707 0.00417603 -0.00406409
-16.11885216 -1.86873034 3.31360915
0.00013305 0.00026725 -0.00033332
-0.01383643 -0.00316991 0.01089588
-17.01660241 -1.72654245 19.44565040
0.00010910 -0.00010463 -0.00026868
0.00376287 -0.00008369 -0.00978415
0.24372469 2.16081348 -5.16789257
0.00010703 -0.00009460 0.00027280
0.00075825 -0.01121132 0.00303921
22.29113252 -7.15964849 -8.98362602
0.00033323 -0.00008394 0.00005372
0.04139852 -0.02230693 0.00666665
-0.44131321 -6.43947679 7.23748667
-0.00010590 0.00011209 -0.00000538
-0.02303428 -0.01760646 0.01475590
-1.89834655 -1.52284636 -19.27391957
0.00021922 0.00012542 -0.00003144
-0.02557517 0.02963066 -0.01659702
3.37172757 2.27149502 -9.29172113
-0.00010915 -0.00020803 0.00011619
0.02215761 -0.00952767 -0.00295298
-3.67195661 18.06830983 12.10694326
-0.00020712 -0.00022435 0.00023196
0.01285816 0.00124312 0.03015877
-3.68174284 4.98961521 -11.37767411
-0.00028835 -0.00003428 0.00028393
0.00034996 -0.00069098 0.07901034
-8.19064912 3.27775778 -8.95653917
0.00029332 -0.00019226 -0.00022077
-0.02296565 -0.01802326 0.02537097
1.87005130 27.28613746 8.43156342
0.00040267 0.00018529 0.00021046
0.00386836 0.00453911 -0.01934616
10.08512884 -6.18917049 -2.01168464
-0.00029758 -0.00003471 0.00008763
-0.00801176 0.01603946 -0.01256041
-8.81518292 0.54369919 5.87253517
0.00020707 0.00037645 0.00009493
-0.01966176 0.01804474 -0.01530302
20.47116099 10.67486363 8.78939599
-0.00026815 -0.00004137 0.00009896
0.01202678 -0.01014912 0.02473699
-2.79044067 -2.15645578 -27.18194376
0.00036834 0.00002225 0.00000331
-0.00851124 -0.01858859 0.04699466
-14.29197422 6.05369537 7.42761465
-0.00004278 0.00012956 0.00028020
0.00363058 -0.00797092 -0.00922967
-9.93992212 7.16540458 -2.67421734
0.00034949 0.00020262 0.00004317
0.00912764 0.00020187 -0.01718628
-1.68825222 -15.82473906 24.09695782
-0.00033072 0.00013397 -0.00049489
0.07275274 0.01629792 -0.01083620
-2.58238267 6.38923897 -6.45926773
-0.00014391 -0.00011552 0.00012021
0.00488566 0.00628445 0.01631316
-20.39390948 31.10998631 4.61176748
0.00053005 -0.00006760 -0.00024420
-0.00578892 -0.02164603 -0.04130048
7.56522967 0.01346879 8.10711529
0.00001604 0.00014134 -0.00013266
0.01152743 -0.00080639 0.02427357
5.48462527 11.25848837 -13.93068561
0.00031477 0.00008160 0.00019132
-0.01415691 0.00564171 0.00625649
15.87541896 3.20676817 -1.96245572
-0.00033575 -0.00028806 -0.00003122
-0.00782707 0.00034875 0.00078946
-4.08350891 13.62688914 -1.24781646
-0.00028466 -0.00003260 0.00050619
-0.00165045 -0.01289589 0.01748635
4.57219699 12.77069922 3.31350101
-0.00005649 -0.00045325 -0.00007853
-0.04489010 -0.04111879 -0.00124298
24.80221665 -11.82549460 -9.46477376
0.00002102 0.00012893 -0.00012991
0.02616528 0.00875523 -0.04285998
16.40652980 -3.95147946 -0.35454469
-0.00005385 0.00011089 -0.00013545
0.05004530 -0.01677802 0.00274704
12.91953262 7.87264764 9.83949715
0.00019938 -0.00007943 0.00010873
0.00096257 0.02432831 -0.01120339
1.76332941 -13.77667246 17.70019264
-0.00043961 -0.00017498 -0.00010510
0.01154460 -0.01857129 0.00026338
-4.42929424 -0.60610382 -14.63949101
-0.00002547 -0.00020712 0.00036761
0.00100497 -0.02701032 0.04770738
14.95986191 -8.21787447 -9.11068263
0.00032677 0.00043248 0.00040130
0.01639673 0.02134556 0.00027077
8.89668615 -6.53011447 8.51599475
-0.00048418 -0.00030771 0.00020053
-0.00218206 0.01578536 -0.01638576
-21.35154815 2.24545685 22.55771358
0.00003006 0.00005989 0.00007080
0.00448718 0.01943859 0.01894070
25.85701621 -3.09152184 -7.71735475
-0.00004926 -0.00024153 -0.00040515
-0.00219334 -0.01420403 0.01294658
9.83758879 -14.11920525 -7.64351217
-0.00008814 -0.00014813 -0.00021468
0.01429866 -0.01650897 -0.01636234
-6.22385387 -12.07115714 16.70451113
-0.00045586 -0.00036106 0.00012781
0.01106564 0.02546791 0.02242413
8.23459124 3.44113790 -29.52519511
-0.00004913 0.00003564 0.00017714
0.04470245 -0.00880579 0.01710631
10.98358339 15.67014400 15.11737305
-0.00030049 -0.00029359 0.00003505
0.00052856 0.00368721 0.05232849
28.45945763 6.08149923 -3.01718851
0.00031453 -0.00021343 -0.00003314
0.01424832 0.00250911 -0.00188339
5.27129440 -31.40269796 -3.35894062
0.00022255 0.00040550 -0.00017217
0.00602842 -0.00016881 -0.00153246
4.13161187 -31.53772218 -0.62732329
-0.00076166 -0.00070085 -0.00005629
0.00177634 0.00083300 0.00619471
-11.72811030 -3.96275586 -8.47232317
0.00045367 0.00062196 0.00019392
-0.00598346 0.01374035 -0.01709486
-12.58064131 -2.19839687 -10.83980188
-0.00048057 0.00038809 -0.00014211
0.00850762 -0.00414019 0.01717020
-38.79425773 2.12965394 1.08884312
-0.00002924 0.00033134 -0.00087590
0.00753346 -0.00249454 -0.00197921
-37.78878361 4.04370534 -0.96118574
0.00026229 -0.00049951 0.00046215
0.00163816 -0.00770009 0.00391768
-10.80885668 -5.66308950 3.36676994
-0.00024814 0.00072630 0.00055046
-0.01066925 0.01916512 0.01153755
-9.94731852 -2.92302205 3.62719861
-0.00044906 0.00027196 -0.00019614
-0.01727070 -0.00104627 0.00588207
5.53896131 -2.21217107 9.02583734
-0.00020486 0.00011101 -0.00122671
-0.01166890 -0.02821927 0.00663009
4.32218687 -3.51460166 11.32987569
0.00081068 0.00036095 -0.00005514
0.00552575 -0.01215888 -0.01308261
-33.35238339 -2.18963362 -0.73649133
0.00014223 0.00037681 -0.00045643
0.00139795 0.01193087 0.00528837
-32.49666771 0.58154889 -0.15261945
-0.00028590 0.00090010 0.00135104
-0.01554203 0.01409887 0.01151568
14.94217014 12.97598852 -15.76148990
-0.00036220 -0.00040487 -0.00059309
-0.01246412 0.01895811 -0.06139529
16.87666882 11.99207139 -13.89462289
-0.00034349 -0.00017774 0.00093643
-0.04714928 0.00956001 0.00080436
-8.38099206 7.12886206 1.31095609
-0.00031537 -0.00057966 0.00016840
0.00384976 -0.00972534 0.00235216
-7.02206599 4.50945073 1.26434605
-0.00119540 0.00084822 0.00064226
-0.01341164 0.01882370 0.00962831
6.11211058 12.55401073 -6.81298139
-0.00063924 -0.00059877 -0.00009576
-0.00338308 -0.00106560 -0.00502283
8.73726648 13.64420994 -6.22054328
0.00101460 0.00010988 -0.00080775
0.01191955 0.01078164 -0.00750316
8.95500939 9.06379826 -20.78948159
-0.00023753 -0.00033887 0.00022294
-0.00729639 0.00535434 0.01546316
10.77727953 10.13548032 -18.90845282
-0.00059873 0.00076411 -0.00104511
-0.01818586 0.00926082 0.00373749
24.25257924 15.94716424 -2.59386890
-0.00017849 -0.00130922 -0.00068249
0.00796395 -0.00207401 -0.00068254
24.32134673 18.93746488 -2.23419962
0.00131523 -0.00078815 -0.00046870
-0.00008408 -0.02004246 -0.00171120
1.95723859 17.38534638 -20.86190541
-0.00113957 -0.00045654 -0.00131089
-0.01031273 0.00311379 -0.03232636
3.15597569 15.28401252 -19.17554073
-0.00151275 -0.00036399 0.00026161
-0.00125137 0.00711151 0.00204396
13.07810033 -1.85432365 -6.80170137
-0.00082844 0.00198840 0.00025716
0.00247542 0.00409430 -0.00563463
12.84040552 -0.97235556 -4.04625109
-0.00012884 -0.00056172 0.00042114
0.01105637 -0.00581310 -0.00203258
-17.53802716 -3.12948043 3.57604193
-0.00074292 0.00054368 -0.00009750
0.02871993 0.01291266 -0.00776687
-14.46832989 -2.67431533 3.01882460
0.00029439 0.00119128 0.00092843
-0.01484272 -0.00346317 0.00668967
-16.42259641 0.00009468 19.91549131
0.00062699 -0.00002182 -0.00063113
0.00397139 -0.01447426 0.00652208
-15.63180151 -2.92900908 19.60168913
0.00051179 -0.00107237 -0.00080480
-0.00474563 0.01281063 0.00533560
-0.78857059 0.60466640 -4.99901223
0.00023478 -0.00075199 -0.00062984
-0.00113853 0.01066843 -0.00194370
-0.89045898 3.54536078 -4.76969740
0.00096376 -0.00004726 -0.00014180
-0.00378239 0.00009701 -0.00573909
23.36386864 -8.70668229 -9.19867812
0.00018096 0.00066808 -0.00017266
-0.02788813 0.00650471 -0.00021073
23.65154990 -6.10366817 -8.31913487
-0.00003849 -0.00014525 -0.00057397
-0.01130664 0.01590974 -0.00002251
0.58077514 -5.97516943 5.81429071
-0.00037427 -0.00027434 -0.00016082
0.00821235 0.01327226 -0.00211406
-0.45923598 -5.22774115 8.60000665
-0.00000348 0.00022768 -0.00004456
0.01072281 0.00041779 -0.00799135
-1.01152250 -2.94136123 -18.66856998
-0.00051303 0.00073108 -0.00027431
0.00566795 -0.02652530 0.00060375
-3.41625480 -2.00276954 -20.28845934
0.00076445 -0.00006513 -0.00047510
0.01925848 -0.00705604 0.01266672
2.97679836 2.67217694 -11.01668589
-0.00053666 -0.00102066 -0.00092120
-0.00947503 0.00637062 -0.00500779
1.91674497 2.33105375 -8.19705140
-0.00045898 0.00066055 -0.00019616
-0.01120586 0.00690187 0.00924728
-2.31956435 16.81820153 12.67977238
-0.00011339 0.00029123 0.00052818
-0.01816193 0.01533252 -0.01461742
-3.65234914 19.26336048 13.57389356
0.00070507 -0.00020530 -0.00083179
-0.00003708 -0.01549214 -0.01747033
-4.15766918 6.19396353 -12.49598433
-0.00103137 0.00080193 0.00083491
-0.01781111 0.04598833 -0.04968301
-3.03982361 3.56119417 -12.09870549
0.00061384 0.00015297 0.00062637
0.01420908 -0.04967503 -0.03460284
-7.65767598 2.29241138 -7.48510233
-0.00003671 -0.00012898 0.00041456
-0.00220551 0.00275920 -0.01136974
-6.68924525 3.91201490 -9.66525050
0.00006205 -0.00104376 0.00123172
0.02187619 0.01045978 -0.01210581
1.92873547 28.22926059 6.78544233
0.00029004 0.00016266 -0.00007454
-0.00169412 -0.00959667 0.02778792
0.19182343 27.49431728 9.08902767
0.00097052 0.00007393 -0.00011392
-0.00103236 0.00658644 -0.00285865
10.90370053 -6.67700158 -0.49090615
-0.00015561 -0.00073567 0.00006097
0.01359187 -0.01110764 0.01826979
8.86513166 -7.49397931 -2.32163590
-0.00040012 0.00026139 -0.00098547
-0.00443207 -0.00400173 -0.00131093
-7.08383864 0.17834712 6.34702090
0.00025209 0.00042925 -0.00043372
0.00919767 -0.01002296 0.01050545
-9.92300916 -0.45356814 6.89245375
0.00048866 -0.00150652 0.00038811
-0.00110510 -0.00466039 0.00638953
21.52105733 10.44541314 10.33493284
0.00086613 -0.00029545 -0.00035705
-0.01254351 -0.00824556 -0.01559793
20.66147913 12.46648092 8.64145765
0.00070663 0.00051786 -0.00027619
0.00294677 0.02309181 -0.01342597
-1.62755221 -3.08560863 -25.95268843
0.00028773 -0.00052448 -0.00057561
-0.01851011 0.00875476 -0.02762772
-4.48854829 -2.30596942 -26.28253813
0.00068406 0.00008602 -0.00091659
0.03360992 0.00617395 -0.02077369
-14.46321946 7.07231148 8.92683566
0.00054887 0.00008600 0.00034437
-0.00444585 0.00714177 -0.00994082
-14.50325948 7.11727659 5.92274773
-0.00112187 0.00013414 0.00060200
-0.00139313 0.00155662 0.01622906
-11.23886330 6.63100940 -3.88758800
-0.00011899 -0.00035481 0.00076301
0.01118352 0.01352559 0.00913926
-8.72736626 8.18950913 -3.69659861
0.00044987 0.00036108 0.00045252
-0.01533550 -0.00776602 0.00661038
-1.15865887 -17.47596573 23.50802276
0.00054823 -0.00017910 -0.00028783
0.00499305 -0.01036624 -0.00428195
-3.35396180 -15.82453058 24.47343816
0.00072132 0.00082051 -0.00002634
-0.07218039 -0.00055032 0.01549557
-3.22424184 5.62225109 -7.95745462
0.00065196 -0.00001359 0.00023501
0.00167054 -0.00413833 -0.01568340
-3.79869395 7.70959849 -6.09472438
0.00092287 -0.00015746 -0.00043069
-0.00818928 0.00453136 0.00281193
-21.53116707 30.22876852 3.26110736
0.00110504 0.00083088 -0.00131530
0.01238679 0.01082752 0.02414245
-21.49458832 32.33071724 5.34000534
0.00049892 0.00062355 0.00004767
-0.01658939 0.00511922 0.01698147
6.95453628 -0.35299271 6.42547605
0.00004508 -0.00041751 -0.00084665
-0.00686605 0.00873520 -0.01854810
7.13172139 1.67318825 8.74463120
0.00091662 0.00012942 -0.00007446
-0.00290193 -0.00267137 -0.01742448
6.63025063 12.55038348 -13.32605180
-0.00031467 0.00057983 -0.00063208
0.00837382 0.00457431 -0.00534238
4.47755592 12.18002736 -15.19536357
-0.00106170 0.00071985 -0.00068610
0.01045941 -0.00721163 0.01180472
14.52635072 4.27478833 -2.68588825
-0.00018555 -0.00102764 -0.00095353
0.00712363 -0.00663819 0.00635342
15.33908155 1.45778938 -2.10027959
-0.00080185 -0.00105260 0.00040516
0.00317359 0.00763721 -0.00278759
-2.43918093 13.45321240 -0.44079163
0.00012520 0.00027907 -0.00030515
-0.00675655 0.00069858 -0.00653770
-5.32010923 13.16374003 0.11116145
-0.00026004 -0.00037282 -0.00016876
0.00688980 0.00210804 -0.01099834
3.65171700 10.98562607 3.66927010
0.00059026 0.00023987 -0.00032240
0.01393795 0.03424510 -0.01023786
6.29047484 12.40686864 3.60253099
-0.00017453 -0.00017430 0.00021995
0.03301147 -0.00606955 0.00048677
25.09135975 -13.49641464 -8.77104356
0.00074248 0.00061860 -0.00000579
-0.00197936 0.00614589 -0.00106419
25.84728709 -11.64485207 -11.13419480
0.00107215 0.00028995 0.00041835
-0.01974389 -0.00925906 0.03255697
14.70975535 -3.90942249 -0.87866257
-0.00023630 -0.00050113 -0.00028171
-0.01453630 -0.00101214 -0.00606428
17.24338265 -5.63471432 -0.80412889
0.00011844 0.00042734 -0.00004383
-0.02151175 0.02735038 0.00440253
11.80204850 8.02286260 11.25733546
-0.00023141 0.00062908 0.00096438
-0.00555900 -0.00589170 0.02000257
12.82404012 9.59422284 9.13714337
-0.00031263 0.00023080 0.00028964
0.01243060 -0.00999995 0.00105079
0.15011692 -14.27609820 17.00738128
-0.00015262 -0.00059016 0.00024290
-0.00634601 -0.00555820 -0.00395573
1.64667386 -12.05353481 18.13473821
0.00060627 0.00020888 0.00056458
-0.00080742 0.02221464 0.00554337
-4.24182360 -2.11715789 -13.44309491
0.00050170 -0.00052981 -0.00009892
-0.00357289 0.03249156 -0.02244199
-3.14007993 -0.76069487 -15.88065243
0.00079179 0.00096558 -0.00043984
0.01287378 -0.00505327 -0.01900711
14.76956449 -8.31660979 -10.95874379
-0.00135695 0.00124065 -0.00032588
-0.00264742 -0.00491894 0.00219482
15.91978603 -6.59409271 -8.90744096
-0.00056233 -0.00032349 -0.00104304
-0.00550566 -0.01976954 -0.00561314
7.31603336 -5.73158341 9.10983151
0.00050847 -0.00090045 0.00058896
0.00243927 0.00132182 -0.00061325
9.34322112 -5.40070350 7.06964202
0.00006451 -0.00054433 0.00019559
-0.00111921 -0.01989649 0.01847164
-20.80726413 2.39463672 20.83975754
-0.00048777 -0.00009245 0.00087552
-0.00442256 -0.01364915 -0.01086822
-21.88807625 0.59155163 23.10951531
0.00046596 -0.00034197 0.00068369
-0.00363394 -0.00535561 -0.00642869
26.38102710 -2.83449705 -5.96207568
-0.00016826 -0.00025992 -0.00043469
0.00250186 0.00277529 -0.00504673
25.31993189 -1.44486913 -8.22763210
-0.00048432 -0.00026958 0.00034903
-0.00245419 0.01561339 -0.00395702
9.14140683 -15.87521922 -7.62003288
-0.00028197 0.00061666 0.00011594
0.00103718 0.01659999 -0.00065740
8.61869168 -12.92553271 -7.08236113
0.00012934 -0.00007614 -0.00049108
-0.01027315 0.00671878 0.00890411
-5.39899141 -10.82031937 17.87716585
-0.00053571 -0.00060225 0.00010632
-0.01140932 -0.02084656 -0.01419374
-6.88878252 -10.96399424 15.38222565
-0.00114703 -0.00082096 0.00085661
0.00451088 -0.00414991 -0.00331646
9.76971587 2.34481409 -29.72658681
-0.00081673 -0.00111360 0.00119449
-0.03184389 0.01412689 -0.00476127
6.92105128 2.95216506 -30.63730594
-0.00018117 0.00140165 -0.00018498
-0.01993403 -0.01591031 -0.01225189
12.49810526 14.67628918 14.60701806
0.00018043 0.00038413 0.00095528
0.00018636 0.00714872 -0.01053487
11.31203899 16.25579468 16.93729171
0.00032259 -0.00038352 0.00066205
-0.00703033 -0.01531661 -0.03536285
28.85333557 5.06948812 -4.49353124
0.00032017 0.00014814 0.00008122
-0.00018914 -0.00064740 -0.00075449
26.79901661 6.73955593 -3.28626003
-0.00001602 -0.00072041 -0.00114745
-0.01855857 0.00857339 -0.00618931
-9.97452660 4.92535146 6.96141931
0.00002644 -0.00002384 -0.00012543
0.00230549 -0.01199204 -0.01152255
-8.65807295 13.22782928 2.57369867
-0.00004771 0.00008291 0.00006051
0.00258784 -0.00085453 -0.00744202
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09428894
0.33707311
449.13301895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3686815282 (a.u.)
total exchange computation time: 2.6787199974 s
-154.1278041826
-931.43381464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3683801596 (a.u.)
total exchange computation time: 2.6769108772 s
-154.1312076884
Anderson extrapolation: theta=1.3450286613 (1.3450286613)
-931.43403766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3678835253 (a.u.)
total exchange computation time: 2.6758809090 s
-154.1366375829
Anderson extrapolation: theta=0.0516995612 (0.0516995612)
-931.43416988
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3677839634 (a.u.)
total exchange computation time: 2.6785039902 s
-154.1376519464
Anderson extrapolation: theta=1.8330381013 (1.8330381013)
-931.43417445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3675760793 (a.u.)
total exchange computation time: 2.6773660183 s
-154.1397320120
Anderson extrapolation: theta=0.2149062146 (0.2149062146)
-931.43417875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3675227030 (a.u.)
total exchange computation time: 2.6779060364 s
-154.1402423524
Anderson extrapolation: theta=1.8084176739 (1.8084176739)
-931.43417951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3674424973 (a.u.)
total exchange computation time: 2.6772830486 s
-154.1409973016
Anderson extrapolation: theta=0.2937053809 (0.2937053809)
-931.43418040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3674364725 (a.u.)
total exchange computation time: 2.6777918339 s
-154.1410457566
Anderson extrapolation: theta=1.2866094123 (1.2866094123)
-931.43418064
-71.871394 22.635718 143.747840
559.433781 1032.216516 -412.331708
487.562387 1054.852234 -268.583869
1192.714388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3674424403 (a.u.)
total exchange computation time: 2.6764070988 s
678.96415328
-1083.46453912
89.65575356
-389.37651557
-174.84559054
78.08719517
551.60419304
0.00000000
-931.43418082
3.90461403 -30.80293272 -2.28179884
0.00001088 0.00029871 0.00000910
-0.00386152 -0.01166521 0.00257913
-11.85056812 -2.17850037 -9.13390335
0.00036035 0.00020073 -0.00008574
-0.00419987 0.00045659 -0.00652599
-37.42048423 2.41362973 -0.09419630
-0.00019611 0.00028924 0.00015840
-0.00057531 -0.00567551 0.00105915
-11.50032254 -3.94668503 3.86327907
-0.00026153 -0.00024737 -0.00009604
0.03221992 -0.01511644 -0.01250355
4.66349369 -3.86491770 9.52181998
-0.00039131 -0.00012234 -0.00028441
0.00689632 0.03388675 0.00669773
-31.91694059 -1.02594668 -0.66541088
0.00021458 0.00039987 0.00012206
-0.01093876 -0.00993219 -0.00685404
15.01356696 12.58189329 -14.07334941
-0.00046016 0.00005933 0.00022606
0.05871752 -0.03029083 0.05941309
-7.72590600 5.83139551 2.43705578
0.00008027 0.00019384 0.00002855
0.00764728 -0.00654051 -0.00052872
7.42479349 12.54150491 -5.55227197
0.00029816 0.00013661 -0.00013714
-0.01154059 -0.01048358 -0.00502695
8.93284960 9.80455774 -19.07246104
-0.00012240 0.00016977 0.00018854
0.01828256 -0.01787774 -0.02296134
23.24843541 17.40158449 -2.11757730
0.00021376 -0.00023021 0.00000383
-0.01017521 0.03148103 0.00449468
2.21528992 16.91702003 -19.16480517
0.00028340 -0.00015030 -0.00033280
0.00286996 -0.00059744 0.02221877
14.09250290 -1.46693374 -5.31889728
0.00004092 0.00023572 -0.00016618
-0.01523481 0.00495206 -0.00138218
-16.11690973 -1.86473387 3.30865141
0.00012475 0.00026604 -0.00032736
-0.01846623 -0.00150513 0.01228091
-17.01495142 -1.72811225 19.44158241
0.00011225 -0.00010556 -0.00027357
0.00848127 -0.00353802 -0.00920195
0.24533302 2.15935128 -5.16378888
0.00010804 -0.00010164 0.00027398
0.00317518 -0.01617214 0.00156125
22.29629064 -7.16099357 -8.98279453
0.00035327 -0.00009503 0.00005691
0.03652098 -0.02084121 0.00573054
-0.44299058 -6.43786340 7.23746285
-0.00011788 0.00010295 0.00000241
-0.02354076 -0.01792383 0.01555433
-1.89515690 -1.52085082 -19.27445514
0.00020532 0.00014221 -0.00004057
-0.02849641 0.03566429 -0.01891455
3.37017584 2.26833779 -9.28998961
-0.00009851 -0.00021249 0.00011307
0.01920813 -0.00782964 -0.00917686
-3.67501383 18.06494938 12.11053896
-0.00020040 -0.00022429 0.00024646
0.01327824 -0.00101091 0.02622941
-3.68606671 4.98909840 -11.37311038
-0.00028848 -0.00003388 0.00032349
-0.00084976 0.00222252 0.07481592
-8.18633792 3.27480437 -8.95975280
0.00027979 -0.00020275 -0.00020620
-0.02965777 -0.02276744 0.03128968
1.87610628 27.28893439 8.43464563
0.00040588 0.00018761 0.00019976
0.00861235 0.00446187 -0.02223839
10.08063428 -6.18962934 -2.01041870
-0.00030141 -0.00002657 0.00008156
-0.00689531 0.01565124 -0.01103815
-8.81215276 0.54941555 5.87390007
0.00019549 0.00038443 0.00008825
-0.02537382 0.01298135 -0.01067416
20.46718507 10.67420393 8.79097575
-0.00026150 -0.00004519 0.00011174
0.01386198 -0.00470613 0.02497016
-2.78494841 -2.15619372 -27.18171287
0.00036477 0.00001283 0.00002659
-0.00534867 -0.01805564 0.04353083
-14.29260195 6.05560806 7.43178205
-0.00004092 0.00012533 0.00027561
0.00361508 -0.00848495 -0.00861399
-9.93464451 7.16844462 -2.67363604
0.00035397 0.00020257 0.00003475
0.00826817 -0.00037455 -0.01554656
-1.69293238 -15.82266666 24.08949273
-0.00029058 0.00014168 -0.00050139
0.08331955 0.01369427 -0.01445923
-2.58452244 6.38753048 -6.45740168
-0.00014002 -0.00011304 0.00012901
0.01024548 0.00335535 0.01792568
-20.38598106 31.10888887 4.60794512
0.00052628 -0.00007788 -0.00026496
-0.00888691 -0.01832605 -0.03942545
7.56551476 0.01558575 8.10521895
0.00002166 0.00014003 -0.00012159
0.01031042 -0.00428640 0.01879544
5.48929218 11.25973410 -13.92779168
0.00030560 0.00008543 0.00019251
-0.02150835 0.00926997 -0.00163415
15.87035246 3.20244859 -1.96292097
-0.00034011 -0.00028958 -0.00003092
-0.00912213 -0.00626731 0.00035834
-4.08778524 13.62635039 -1.24015613
-0.00028512 -0.00003904 0.00051439
-0.00012273 -0.01212531 0.01439925
4.57117646 12.76374193 3.31231833
-0.00007936 -0.00047369 -0.00007928
-0.04403850 -0.03837004 -0.00169905
24.80263289 -11.82352687 -9.46688780
0.00003460 0.00013386 -0.00015212
0.02664379 0.01043138 -0.04350844
16.40591504 -3.94988082 -0.35656587
-0.00002883 0.00010259 -0.00013414
0.04727586 -0.01550454 0.00233954
12.92252706 7.87155010 9.84108484
0.00019850 -0.00006633 0.00010449
-0.00439363 0.02657900 -0.00526022
1.75677982 -13.77936887 17.69861720
-0.00043295 -0.00018344 -0.00010442
0.01432976 -0.01429012 0.00236862
-4.42967246 -0.60931481 -14.63379286
-0.00002328 -0.00022108 0.00039037
0.00753243 -0.02727823 0.04078731
14.96482671 -8.21130493 -9.10466210
0.00033394 0.00044191 0.00039946
0.01148313 0.01531721 -0.00741414
8.88941511 -6.53466927 8.51893947
-0.00048384 -0.00030046 0.00019172
0.00350208 0.01239877 -0.01786270
-21.35107995 2.24643023 22.55884862
0.00003155 0.00006898 0.00008268
0.00131408 0.01591438 0.02724454
25.85626888 -3.09519961 -7.72338207
-0.00005036 -0.00024889 -0.00039844
-0.00207606 -0.01440085 0.01314720
9.83632181 -14.12149081 -7.64679552
-0.00008035 -0.00015589 -0.00022323
0.01599021 -0.01369812 -0.01688367
-6.23064912 -12.07647472 16.70651478
-0.00045003 -0.00034877 0.00013980
0.01161588 0.02230115 0.02419606
8.23402669 3.44163846 -29.52247206
-0.00002644 0.00003116 0.00018610
0.04354120 -0.00859906 0.01773158
10.97907811 15.66575432 15.11810060
-0.00030006 -0.00029139 0.00006282
0.00112739 0.00487758 0.05567473
28.46423060 6.07830752 -3.01769287
0.00032091 -0.00021148 -0.00003403
0.01054213 0.00505658 -0.00157367
5.27481735 -31.39662061 -3.36157019
0.00024531 0.00040547 -0.00017663
0.00511540 0.00015316 -0.00064821
4.12024138 -31.54820939 -0.62797783
-0.00075425 -0.00069551 -0.00003478
0.00185292 0.00177857 0.00433598
-11.72148860 -3.95300536 -8.46993825
0.00042890 0.00067492 0.00012433
-0.00614267 0.01218193 -0.01696666
-12.58758914 -2.19270236 -10.84140735
-0.00044378 0.00037085 -0.00006744
0.00950048 -0.00429988 0.01937836
-38.79446545 2.13454762 1.07564391
-0.00000760 0.00031886 -0.00087560
0.00305721 -0.00361374 0.00213015
-37.78479900 4.03597673 -0.95413342
0.00026711 -0.00052187 0.00047317
0.00071894 -0.00324608 0.00147530
-10.81290564 -5.65160771 3.37538041
-0.00028825 0.00079409 0.00059403
-0.00896788 0.01401775 0.00978890
-9.95458367 -2.91897472 3.62443683
-0.00052072 0.00026663 -0.00017193
-0.01780659 -0.00156454 0.00596650
5.53553090 -2.21137068 9.00763989
-0.00025468 -0.00000813 -0.00119725
-0.01272252 -0.03009743 0.00778766
4.33451644 -3.50956002 11.32864776
0.00083265 0.00031145 -0.00010945
0.00522931 -0.01207324 -0.01350236
-33.35020711 -2.18361580 -0.74317574
0.00014843 0.00042589 -0.00043439
0.00163933 0.01208997 0.00550256
-32.50143247 0.59548243 -0.13200105
-0.00034360 0.00094178 0.00139261
-0.01270317 0.00630155 0.00883486
14.93635518 12.97049648 -15.77226758
-0.00041131 -0.00033210 -0.00082776
-0.01157431 0.01665978 -0.05347610
16.87007172 11.98969827 -13.88055175
-0.00053738 -0.00013769 0.00093837
-0.04776195 0.01004329 0.00014250
-8.38560462 7.11986921 1.31355418
-0.00030270 -0.00061302 0.00017402
0.00235211 -0.00660506 0.00039609
-7.04040803 4.52275080 1.27427494
-0.00124300 0.00091335 0.00067291
-0.00988800 0.01305986 0.00537631
6.10241829 12.54499648 -6.81457172
-0.00064448 -0.00060226 -0.00010970
0.00081863 -0.00064264 -0.00180191
8.75285073 13.64618850 -6.23288950
0.00105561 0.00014899 -0.00083609
0.00815329 0.00836535 -0.00636989
8.95122284 9.05887936 -20.78566358
-0.00026838 -0.00031632 0.00028766
-0.00780646 0.00568071 0.01621409
10.76774134 10.14722581 -18.92401494
-0.00066631 0.00080317 -0.00102755
-0.01489612 0.00985846 0.00486034
24.25014592 15.92746235 -2.60412710
-0.00015185 -0.00130897 -0.00068168
0.00507862 0.00219990 0.00107718
24.34107257 18.92502848 -2.24128253
0.00131301 -0.00087052 -0.00047537
-0.00100371 -0.02027943 -0.00155473
1.93982896 17.37859376 -20.88255941
-0.00117848 -0.00045000 -0.00142562
-0.00873002 0.00008483 -0.02383096
3.13324605 15.27877058 -19.17155401
-0.00151288 -0.00034005 0.00026809
0.00119047 0.00460558 0.00112990
13.06574960 -1.82437212 -6.79801660
-0.00081872 0.00200333 0.00023017
0.00228392 0.00321197 -0.00758027
12.83881175 -0.98095949 -4.03999631
-0.00007986 -0.00058537 0.00041138
0.01291865 -0.00576603 -0.00274247
-17.54829097 -3.12092955 3.57434148
-0.00062066 0.00059717 -0.00013045
0.03113022 0.01326949 -0.00836501
-14.46436893 -2.65655232 3.03295600
0.00023806 0.00117199 0.00095387
-0.01272850 -0.00597909 0.00576596
-16.41306979 -0.00067611 19.90622423
0.00064246 -0.00008292 -0.00060479
0.00359660 -0.01543483 0.00637140
-15.62427005 -2.94470214 19.58978064
0.00048338 -0.00101132 -0.00078369
-0.00916173 0.01707367 0.00499848
-0.78508380 0.59371345 -5.00851941
0.00023119 -0.00070291 -0.00063701
-0.00061785 0.01335545 -0.00156442
-0.87611843 3.54465487 -4.77200033
0.00094173 -0.00004205 -0.00016280
-0.00700091 0.00245504 -0.00453972
23.36572849 -8.69646183 -9.20127443
0.00007126 0.00068714 -0.00017457
-0.02581077 0.00282572 -0.00072675
23.65062604 -6.10535936 -8.32774508
-0.00007909 -0.00007540 -0.00057112
-0.00856793 0.01828123 0.00141631
0.57541271 -5.97887785 5.81181360
-0.00033968 -0.00021915 -0.00017063
0.00872116 0.01374294 -0.00268905
-0.45895955 -5.22431313 8.59909335
0.00004054 0.00022904 -0.00007775
0.01082426 0.00024928 -0.00825661
-1.01904429 -2.93120781 -18.67266607
-0.00048112 0.00060977 -0.00026571
0.00995152 -0.03285923 0.00360418
-3.40419785 -2.00396272 -20.29519767
0.00084040 -0.00009324 -0.00042439
0.01791753 -0.00670151 0.01215312
2.96845818 2.65706225 -11.03065727
-0.00057132 -0.00099748 -0.00092807
-0.00749187 0.00497777 0.00164404
1.90951685 2.34117355 -8.19971043
-0.00050241 0.00068811 -0.00015924
-0.01004978 0.00658797 0.00882294
-2.32182167 16.82303984 12.68724719
-0.00018665 0.00035116 0.00046779
-0.01770150 0.01400277 -0.01494377
-3.64177424 19.25980631 13.56088138
0.00070309 -0.00026123 -0.00089529
-0.00092957 -0.01188842 -0.01361334
-4.17368555 6.20740169 -12.48498313
-0.00110002 0.00097903 0.00064062
-0.01579358 0.04070314 -0.04542251
-3.03018060 3.56196657 -12.09037025
0.00067066 -0.00004498 0.00048515
0.01360256 -0.04722464 -0.03452616
-7.65829422 2.29056129 -7.47923236
-0.00004830 -0.00011544 0.00036458
-0.00346933 0.00386755 -0.01309615
-6.68764420 3.89667909 -9.64714570
0.00016757 -0.00099353 0.00117372
0.02977943 0.01412510 -0.01628227
1.93303422 28.23140637 6.78517576
0.00028330 0.00012252 0.00004041
-0.00160863 -0.01005166 0.02848226
0.20634954 27.49562810 9.08723132
0.00095600 0.00010208 -0.00012148
-0.00607605 0.00719402 -0.00084109
10.90178288 -6.68837703 -0.48943177
-0.00010293 -0.00078046 0.00013155
0.01219335 -0.01081608 0.01627895
8.85899410 -7.49018102 -2.33645808
-0.00041734 0.00024525 -0.00099004
-0.00399839 -0.00389917 -0.00092774
-7.07977539 0.18447871 6.34083704
0.00029080 0.00038813 -0.00039055
0.00974924 -0.01010664 0.01062577
-9.91571312 -0.47630871 6.89847119
0.00049449 -0.00151523 0.00040445
0.00395729 0.00039469 0.00161073
21.53366498 10.44072874 10.32909914
0.00081259 -0.00032834 -0.00042272
-0.01366593 -0.00785499 -0.01654996
20.67216890 12.47495648 8.63690332
0.00071707 0.00060054 -0.00032969
0.00216131 0.01737932 -0.01276062
-1.62380344 -3.09320753 -25.96216917
0.00021313 -0.00048906 -0.00068600
-0.01800877 0.00858495 -0.02640845
-4.47725741 -2.30448986 -26.29692356
0.00081432 0.00011070 -0.00099680
0.03015071 0.00590550 -0.01848798
-14.45512262 7.07382031 8.93169657
0.00053066 0.00011519 0.00030442
-0.00446696 0.00714899 -0.00961616
-14.52013017 7.11933635 5.93227510
-0.00112712 0.00014126 0.00066666
-0.00117810 0.00193151 0.01542246
-11.24030547 6.62610172 -3.87586280
-0.00007203 -0.00029845 0.00079942
0.01180310 0.01406125 0.00868344
-8.72108815 8.19468739 -3.68960830
0.00038705 0.00032924 0.00047730
-0.01541308 -0.00782032 0.00552349
-1.15028242 -17.47896995 23.50357416
0.00056439 -0.00021531 -0.00030264
0.00291601 -0.00735432 -0.00296935
-3.34535379 -15.81223984 24.47351783
0.00040935 0.00081719 0.00004110
-0.08053255 -0.00107187 0.01751692
-3.21441121 5.62192049 -7.95441010
0.00065607 -0.00003306 0.00016522
0.00033808 -0.00539454 -0.01847998
-3.78510186 7.70737541 -6.10109849
0.00088111 -0.00013080 -0.00041708
-0.01225373 0.00851855 0.00384924
-21.51421196 30.24156344 3.24211762
0.00115440 0.00087488 -0.00121447
0.01177689 0.01071286 0.02521713
-21.48761284 32.34022743 5.34124075
0.00043715 0.00063614 0.00011177
-0.01364871 0.00104237 0.01439633
6.95500211 -0.35898774 6.41220797
0.00002049 -0.00037846 -0.00091206
-0.00516942 0.01038174 -0.01347269
7.14538183 1.67504761 8.74298034
0.00090325 0.00012177 -0.00014529
-0.00364440 -0.00107013 -0.01724726
6.62578710 12.55922106 -13.33569675
-0.00027692 0.00060158 -0.00065190
0.01010844 0.00607484 -0.00435682
4.46195096 12.19060412 -15.20529338
-0.00100738 0.00067969 -0.00062373
0.01613156 -0.01244684 0.01872500
14.52378579 4.25917032 -2.69999646
-0.00015744 -0.00105273 -0.00092781
0.00663708 -0.00564254 0.00623587
15.32715104 1.44223434 -2.09428761
-0.00078481 -0.00100998 0.00039473
0.00516692 0.01322745 -0.00231994
-2.43750995 13.45741983 -0.44556923
0.00009657 0.00028128 -0.00033045
-0.00725644 0.00038341 -0.00584462
-5.32379864 13.15821228 0.10829306
-0.00023354 -0.00036513 -0.00020905
0.00607902 0.00165982 -0.00872287
3.66099798 10.99027346 3.66412038
0.00064502 0.00037481 -0.00036314
0.01287033 0.03180899 -0.00970595
6.28886850 12.40406810 3.60584512
-0.00003861 -0.00019900 0.00022197
0.03352307 -0.00602065 0.00050085
25.10243635 -13.48694731 -8.77116309
0.00073454 0.00063944 -0.00000801
-0.00191146 0.00405537 -0.00002275
25.86276433 -11.64078659 -11.12692184
0.00099024 0.00025261 0.00055043
-0.02035041 -0.00901719 0.03209559
14.70576545 -3.91697041 -0.88307399
-0.00029107 -0.00050539 -0.00030492
-0.01227285 -0.00107598 -0.00530038
17.24450006 -5.62746618 -0.80465144
0.00003154 0.00053621 -0.00002622
-0.02102575 0.02594544 0.00421911
11.79840707 8.03211820 11.27241412
-0.00024424 0.00060255 0.00103382
-0.00072323 -0.00709483 0.01398729
12.81973153 9.59737848 9.14152015
-0.00026098 0.00018734 0.00029393
0.01285415 -0.01127884 0.00104794
0.14763316 -14.28512096 17.01090355
-0.00018246 -0.00061157 0.00022557
-0.00826147 -0.00492141 -0.00452464
1.65574316 -12.04972084 18.14337679
0.00060167 0.00028964 0.00058404
-0.00144619 0.01731794 0.00398027
-4.23440763 -2.12410945 -13.44526648
0.00048718 -0.00039749 -0.00019035
-0.00353264 0.03228005 -0.02231249
-3.12780855 -0.74636596 -15.88783244
0.00083102 0.00094576 -0.00050419
0.00632810 -0.00464848 -0.01249224
14.74912914 -8.29815076 -10.96356475
-0.00136649 0.00121887 -0.00030606
-0.00202450 -0.00574357 0.00750729
15.91118231 -6.59955088 -8.92325852
-0.00057628 -0.00039068 -0.00106124
-0.00132350 -0.01311866 -0.00329661
7.32373522 -5.74504964 9.11864714
0.00050837 -0.00088875 0.00058900
-0.00249210 0.00440558 0.00063373
9.34415445 -5.40947821 7.07314193
0.00005856 -0.00062469 0.00027114
-0.00179344 -0.01943903 0.01851182
-20.81471617 2.39283177 20.85255734
-0.00050102 -0.00014717 0.00081626
-0.00206239 -0.01313681 -0.01814264
-21.88119822 0.58625798 23.11957371
0.00045275 -0.00035737 0.00065530
-0.00283236 -0.00218279 -0.00747076
26.37857981 -2.83831075 -5.96875063
-0.00015737 -0.00024916 -0.00045433
0.00282863 0.00249222 -0.00456824
25.31259183 -1.44843431 -8.22251783
-0.00049499 -0.00020451 0.00033157
-0.00276902 0.01623546 -0.00459225
9.13720914 -15.86546062 -7.61831395
-0.00027914 0.00067675 0.00011319
0.00034737 0.01281203 -0.00068797
8.62031695 -12.92646889 -7.08945452
0.00008602 -0.00004631 -0.00045381
-0.01093090 0.00788225 0.00933903
-5.40737673 -10.82999198 17.87832567
-0.00058104 -0.00068506 0.00004970
-0.01078019 -0.01968786 -0.01351895
-6.90584973 -10.97643584 15.39497314
-0.00113079 -0.00083347 0.00083806
0.00344037 -0.00197063 -0.00576486
9.75648907 2.32854293 -29.70881533
-0.00094594 -0.00105592 0.00117338
-0.03140335 0.01410870 -0.00557288
6.91772293 2.97270221 -30.64045608
-0.00026190 0.00133591 -0.00023494
-0.01958691 -0.01626944 -0.01220253
12.50081735 14.68227016 14.62102438
0.00018296 0.00041137 0.00090972
0.00105576 0.00618746 -0.01176306
11.31666235 16.24957250 16.94613878
0.00029103 -0.00044645 0.00051307
-0.00841783 -0.01548681 -0.03756262
28.85813234 5.07169039 -4.49233611
0.00032186 0.00014219 0.00007489
0.00101495 -0.00226666 -0.00234336
26.79820769 6.72901253 -3.30366142
-0.00008718 -0.00068640 -0.00117041
-0.01627623 0.00807161 -0.00504893
-9.97412375 4.92496167 6.95950695
0.00002726 -0.00002809 -0.00012951
0.00226032 -0.01174707 -0.01125878
-8.65878416 13.22907144 2.57459341
-0.00004712 0.00008271 0.00005878
0.00250391 -0.00089437 -0.00748103
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09431291
0.33986791
452.85694809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3687952847 (a.u.)
total exchange computation time: 2.5349378586 s
-154.1271261848
-931.43615370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3685583069 (a.u.)
total exchange computation time: 2.5287990570 s
-154.1300428034
Anderson extrapolation: theta=1.3610233089 (1.3610233089)
-931.43637509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3681490099 (a.u.)
total exchange computation time: 2.5297441483 s
-154.1348266989
Anderson extrapolation: theta=0.0573643231 (0.0573643231)
-931.43650854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3680564738 (a.u.)
total exchange computation time: 2.5333061218 s
-154.1357927054
Anderson extrapolation: theta=1.9502781532 (1.9502781532)
-931.43651376
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3678569515 (a.u.)
total exchange computation time: 2.5307018757 s
-154.1378340243
Anderson extrapolation: theta=0.2269363681 (0.2269363681)
-931.43651903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3678090881 (a.u.)
total exchange computation time: 2.5304939747 s
-154.1383011049
Anderson extrapolation: theta=1.7377441003 (1.7377441003)
-931.43651998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3677456309 (a.u.)
total exchange computation time: 2.5323309898 s
-154.1389130893
Anderson extrapolation: theta=0.2827919016 (0.2827919016)
-931.43652097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3677469991 (a.u.)
total exchange computation time: 2.5298280716 s
-154.1388971264
Anderson extrapolation: theta=1.2866694628 (1.2866694628)
-931.43652122
-71.858906 22.668719 143.685419
559.435591 1032.216428 -412.354677
487.576685 1054.885147 -268.669259
1192.768573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3677621548 (a.u.)
total exchange computation time: 2.5300250053 s
678.96886781
-1083.46641210
89.65192762
-389.37713238
-174.84601019
78.08610239
551.60419304
0.00000000
-931.43652139
3.90476228 -30.79849714 -2.28165245
0.00000924 0.00029225 0.00001059
-0.00251136 -0.01342553 0.00321756
-11.84517910 -2.17548764 -9.13521460
0.00035799 0.00020146 -0.00008958
-0.00496354 0.00238225 -0.00841724
-37.42342802 2.41794642 -0.09181617
-0.00019491 0.00028531 0.00015860
0.00520886 -0.00960813 -0.00029338
-11.50412123 -3.95045392 3.86179025
-0.00024542 -0.00025347 -0.00010194
0.03043957 -0.00860018 -0.01045130
4.65765060 -3.86662206 9.51757967
-0.00038748 -0.00010457 -0.00028115
0.00799199 0.03521965 0.00599644
-31.91376409 -1.01998694 -0.66360644
0.00020815 0.00039669 0.00011922
-0.01405020 -0.00241736 -0.00417826
15.00689110 12.58266639 -14.06972938
-0.00043033 0.00004446 0.00025421
0.05728403 -0.02753570 0.05005662
-7.72467241 5.83427785 2.43748205
0.00008365 0.00019134 0.00003007
0.00548742 -0.00319291 0.00641426
7.42922135 12.54351356 -5.55434853
0.00029205 0.00013177 -0.00014078
-0.01219899 -0.00833211 -0.00910277
8.93108419 9.80703539 -19.06972146
-0.00011379 0.00016039 0.00017639
0.01520068 -0.01862321 -0.02430546
23.25160259 17.39825277 -2.11750247
0.00020941 -0.00021502 0.00000576
-0.00675553 0.02757823 0.00298798
2.21955205 16.91476319 -19.16971144
0.00028384 -0.00014900 -0.00032349
-0.00117408 0.00566986 0.01399385
14.09305797 -1.46337881 -5.32139536
0.00003273 0.00023841 -0.00016633
-0.01661419 0.00549905 0.00082214
-16.11510975 -1.86074902 3.30378842
0.00011416 0.00026581 -0.00032072
-0.02269540 0.00057686 0.01351113
-17.01323500 -1.72970936 19.43744342
0.00011768 -0.00010820 -0.00027818
0.01263120 -0.00673282 -0.00873625
0.24696584 2.15776432 -5.15967314
0.00011030 -0.00011116 0.00027440
0.00562880 -0.02084147 0.00008572
22.30173051 -7.16249944 -8.98191883
0.00037081 -0.00010536 0.00005966
0.03169930 -0.01932972 0.00499359
-0.44484955 -6.43638828 7.23755903
-0.00013004 0.00009367 0.00001049
-0.02374138 -0.01815066 0.01585274
-1.89218709 -1.51858014 -19.27513663
0.00019018 0.00016187 -0.00005070
-0.03037698 0.04080558 -0.02048770
3.36877230 2.26512017 -9.28832889
-0.00008950 -0.00021612 0.00010690
0.01581993 -0.00627660 -0.01485017
-3.67796861 18.06158113 12.11433702
-0.00019356 -0.00022545 0.00025879
0.01333017 -0.00350787 0.02170749
-3.69039713 4.98859873 -11.36796947
-0.00028917 -0.00003204 0.00036014
-0.00184377 0.00495221 0.06771767
-8.18225551 3.27167531 -8.96272503
0.00026305 -0.00021546 -0.00018886
-0.03544217 -0.02666488 0.03610721
1.88222771 27.29176573 8.43755626
0.00041149 0.00018979 0.00018776
0.01320109 0.00402541 -0.02441535
10.07608652 -6.18996744 -2.00923791
-0.00030462 -0.00001873 0.00007644
-0.00559015 0.01481478 -0.00887740
-8.80931834 0.55523206 5.87518263
0.00018120 0.00038977 0.00008393
-0.03018672 0.00780692 -0.00612646
20.46331608 10.67350792 8.79274815
-0.00025394 -0.00004611 0.00012450
0.01553381 0.00113312 0.02466591
-2.77949742 -2.15607095 -27.18114614
0.00036298 0.00000379 0.00004784
-0.00164894 -0.01707450 0.03913204
-14.29320179 6.05745529 7.43588298
-0.00003905 0.00012082 0.00027139
0.00366966 -0.00907239 -0.00781687
-9.92930312 7.17148176 -2.67317469
0.00035800 0.00020221 0.00002731
0.00743454 -0.00103375 -0.01340357
-1.69696975 -15.82048861 24.08191608
-0.00024615 0.00014803 -0.00050952
0.08946766 0.01100646 -0.01715450
-2.58658318 6.38584786 -6.45539734
-0.00013348 -0.00011211 0.00013854
0.01516769 0.00023417 0.01910424
-20.37812120 31.10765005 4.60381861
0.00052090 -0.00008632 -0.00028460
-0.01202121 -0.01452887 -0.03693865
7.56587940 0.01766964 8.10346762
0.00002663 0.00013689 -0.00011341
0.00903304 -0.00790613 0.01301854
5.49379316 11.26105135 -13.92491035
0.00029293 0.00009100 0.00018994
-0.02775729 0.01238498 -0.00834623
15.86521557 3.19808066 -1.96338346
-0.00034505 -0.00029437 -0.00003080
-0.01008949 -0.01235191 0.00014109
-4.09206251 13.62571809 -1.23238472
-0.00028479 -0.00004505 0.00052091
0.00140242 -0.01125754 0.01093580
4.56981619 12.75648863 3.31112255
-0.00010134 -0.00049259 -0.00008026
-0.04145282 -0.03515746 -0.00208903
24.80325468 -11.82147867 -9.46933750
0.00004833 0.00013963 -0.00017452
0.02674942 0.01199842 -0.04356872
16.40566501 -3.94840179 -0.35856900
-0.00000550 0.00009510 -0.00013306
0.04344123 -0.01363271 0.00188074
12.92548760 7.87065761 9.84263195
0.00019490 -0.00005219 0.00010332
-0.00960421 0.02841768 0.00071163
1.75034077 -13.78217552 17.69706003
-0.00042493 -0.00018955 -0.00010265
0.01688921 -0.00947483 0.00452423
-4.42999256 -0.61273624 -14.62778005
-0.00001773 -0.00023495 0.00040941
0.01402277 -0.02663748 0.03326276
14.96988010 -8.20461722 -9.09869877
0.00033843 0.00044805 0.00039378
0.00599327 0.00857198 -0.01468869
8.88217108 -6.53912841 8.52174639
-0.00048058 -0.00029508 0.00018227
0.00915147 0.00853217 -0.01891001
-21.35060162 2.24752638 22.56019385
0.00003146 0.00007625 0.00009874
-0.00167743 0.01235393 0.03523110
25.85550554 -3.09898849 -7.72930796
-0.00005146 -0.00025619 -0.00039171
-0.00220363 -0.01399244 0.01300675
9.83517820 -14.12388205 -7.65020911
-0.00007178 -0.00016200 -0.00023197
0.01734467 -0.01003346 -0.01707963
-6.23735475 -12.08162027 16.70870510
-0.00044398 -0.00033824 0.00015256
0.01190025 0.01864900 0.02544584
8.23379805 3.44207268 -29.51961222
-0.00000475 0.00002682 0.00019518
0.04079810 -0.00825926 0.01757926
10.97458152 15.66140226 15.11925767
-0.00029935 -0.00028868 0.00009205
0.00163547 0.00566008 0.05799878
28.46908491 6.07515482 -3.01820938
0.00032523 -0.00020819 -0.00003480
0.00626277 0.00775500 -0.00143692
5.27865380 -31.39053387 -3.36423948
0.00026422 0.00040678 -0.00017741
0.00414019 0.00048978 0.00026743
4.10898446 -31.55858759 -0.62836663
-0.00074652 -0.00068615 -0.00002109
0.00193097 0.00280627 0.00236445
-11.71524335 -3.94250827 -8.46859314
0.00040356 0.00072086 0.00005572
-0.00626012 0.01030738 -0.01662069
-12.59395472 -2.18727136 -10.84182519
-0.00040341 0.00035307 0.00001500
0.01026173 -0.00440355 0.02097827
-38.79448581 2.13921983 1.06257526
-0.00000475 0.00030174 -0.00085829
-0.00166035 -0.00476720 0.00634195
-37.78077032 4.02804918 -0.94699070
0.00026806 -0.00052533 0.00047380
-0.00025605 0.00155564 -0.00116818
-10.81750422 -5.63926683 3.38459081
-0.00032068 0.00083931 0.00063005
-0.00690594 0.00811736 0.00784242
-9.96294012 -2.91502327 3.62204071
-0.00059374 0.00025966 -0.00014754
-0.01793713 -0.00184647 0.00597374
5.53132077 -2.21241485 8.98991971
-0.00030819 -0.00013362 -0.00116345
-0.01346948 -0.03133301 0.00876015
4.34716649 -3.50525830 11.32659231
0.00085323 0.00026247 -0.00016471
0.00484345 -0.01190226 -0.01354921
-33.34793037 -2.17685704 -0.74952291
0.00015516 0.00047514 -0.00041153
0.00165417 0.01201806 0.00568640
-32.50697575 0.60980217 -0.11084119
-0.00038952 0.00095165 0.00142289
-0.00977609 -0.00146654 0.00598929
14.92983086 12.96602544 -15.78632260
-0.00045662 -0.00026956 -0.00102565
-0.01060452 0.01395334 -0.04339323
16.86054747 11.98794067 -13.86647187
-0.00073171 -0.00009626 0.00093771
-0.04736397 0.01023829 -0.00046423
-8.39007302 7.11047155 1.31617655
-0.00029644 -0.00063322 0.00017143
0.00071364 -0.00328437 -0.00166077
-7.05935606 4.53685126 1.28453333
-0.00127555 0.00095319 0.00068489
-0.00604233 0.00644251 0.00048748
6.09277616 12.53594284 -6.81627248
-0.00063278 -0.00060394 -0.00011077
0.00491036 -0.00017970 0.00128096
8.76893467 13.64867975 -6.24562611
0.00108110 0.00017819 -0.00085958
0.00432781 0.00592476 -0.00512758
8.94695786 9.05430861 -20.78085187
-0.00030124 -0.00029289 0.00035443
-0.00827895 0.00578731 0.01647176
10.75729022 10.15957549 -18.93927919
-0.00071975 0.00084483 -0.00100554
-0.01126130 0.01053115 0.00591176
24.24802385 15.90789529 -2.61431929
-0.00013677 -0.00129147 -0.00067361
0.00230104 0.00636566 0.00287219
24.36073690 18.91134922 -2.24846072
0.00130735 -0.00095305 -0.00048141
-0.00176676 -0.02011972 -0.00140387
1.92188430 17.37184634 -20.90467392
-0.00121046 -0.00045580 -0.00150503
-0.00692416 -0.00292181 -0.01504024
3.11058938 15.27381091 -19.16749805
-0.00150316 -0.00032677 0.00027096
0.00356710 0.00189731 0.00027647
13.05353884 -1.79422374 -6.79479639
-0.00080955 0.00201492 0.00019585
0.00220459 0.00246197 -0.00921753
12.83800972 -0.98991680 -4.03390960
-0.00002383 -0.00060865 0.00039908
0.01450742 -0.00562733 -0.00328016
-17.55664693 -3.11156543 3.57212837
-0.00048977 0.00065122 -0.00016555
0.03293883 0.01319230 -0.00881726
-14.46118805 -2.63915575 3.04744076
0.00019083 0.00114247 0.00097559
-0.01038967 -0.00846985 0.00486398
-16.40332274 -0.00239283 19.89734763
0.00065639 -0.00014740 -0.00057900
0.00322505 -0.01612965 0.00625024
-15.61730007 -2.95934883 19.57817849
0.00043811 -0.00093393 -0.00076377
-0.01299777 0.02081002 0.00475149
-0.78163487 0.58357901 -5.01812247
0.00022947 -0.00064341 -0.00064253
-0.00022547 0.01576968 -0.00113924
-0.86220694 3.54409943 -4.77458149
0.00090677 -0.00002719 -0.00017901
-0.01011431 0.00481703 -0.00339348
23.36600650 -8.68606820 -9.20391528
-0.00002895 0.00069057 -0.00017861
-0.02324542 -0.00114290 -0.00125188
23.64917709 -6.10593017 -8.33626849
-0.00010823 0.00000373 -0.00056245
-0.00569245 0.02045544 0.00282585
0.57058478 -5.98174401 5.80917169
-0.00030352 -0.00016244 -0.00018218
0.00897858 0.01401649 -0.00296328
-0.45801974 -5.22086982 8.59767403
0.00008489 0.00022991 -0.00011165
0.01088356 0.00017651 -0.00833472
-1.02595619 -2.92306821 -18.67654128
-0.00043285 0.00046452 -0.00024562
0.01367806 -0.03823825 0.00623214
-3.39104281 -2.00556662 -20.30119118
0.00090991 -0.00012003 -0.00037647
0.01610672 -0.00641358 0.01130405
2.95965885 2.64225263 -11.04452790
-0.00059788 -0.00097964 -0.00090827
-0.00551163 0.00375157 0.00804577
1.90167281 2.35169710 -8.20182873
-0.00054019 0.00071430 -0.00012464
-0.00844604 0.00623199 0.00811769
-2.32516384 16.82873633 12.69380615
-0.00025793 0.00040569 0.00040615
-0.01718860 0.01269086 -0.01523092
-3.63125631 19.25552356 13.54703488
0.00069756 -0.00030132 -0.00094200
-0.00178017 -0.00773482 -0.00925426
-4.19066985 6.22333439 -12.47676570
-0.00115857 0.00113030 0.00046730
-0.01286538 0.03334363 -0.03941682
-3.01970395 3.55984476 -12.08415100
0.00072272 -0.00022834 0.00034654
0.01188275 -0.04252882 -0.03332530
-7.65912508 2.28894823 -7.47416500
-0.00006475 -0.00009794 0.00030838
-0.00458222 0.00469938 -0.01441377
-6.68421807 3.88220895 -9.63003877
0.00030324 -0.00092946 0.00110002
0.03663295 0.01723960 -0.01979411
1.93723439 28.23293613 6.78665475
0.00027703 0.00008127 0.00015675
-0.00145991 -0.01013856 0.02846475
0.22050328 27.49737982 9.08538342
0.00092106 0.00013267 -0.00012080
-0.01102293 0.00777643 0.00117124
10.90061251 -6.70041536 -0.48695972
-0.00005675 -0.00082355 0.00019260
0.01041335 -0.01027474 0.01360416
8.85261148 -7.48662169 -2.35133712
-0.00043240 0.00022991 -0.00099291
-0.00337351 -0.00361415 -0.00047707
-7.07511463 0.18999090 6.33530439
0.00033077 0.00034694 -0.00034722
0.00981657 -0.01005429 0.01058591
-9.90817456 -0.49902509 6.90458734
0.00052020 -0.00150336 0.00040178
0.00862730 0.00541825 -0.00292137
21.54543509 10.43556293 10.32225116
0.00075504 -0.00035963 -0.00049143
-0.01450433 -0.00746235 -0.01708454
20.68299113 12.48449716 8.63156693
0.00072405 0.00065905 -0.00038024
0.00125835 0.01126150 -0.01198427
-1.62115835 -3.10028029 -25.97326838
0.00014144 -0.00045501 -0.00079045
-0.01708176 0.00807812 -0.02472039
-4.46411872 -2.30264837 -26.31244205
0.00092839 0.00013412 -0.00106673
0.02568731 0.00555591 -0.01574374
-14.44729954 7.07576729 8.93596815
0.00051240 0.00014439 0.00026600
-0.00447148 0.00714233 -0.00919057
-14.53707307 7.12151448 5.94274764
-0.00113162 0.00015013 0.00072749
-0.00102515 0.00240954 0.01435329
-11.24102427 6.62205579 -3.86360542
-0.00002332 -0.00024030 0.00083338
0.01204147 0.01440770 0.00794154
-8.71575464 8.19938637 -3.68227948
0.00032459 0.00029768 0.00049725
-0.01516545 -0.00762679 0.00423993
-1.14172725 -17.48242490 23.49894358
0.00057189 -0.00023906 -0.00031203
0.00075708 -0.00427366 -0.00162930
-3.34168130 -15.80001480 24.47467104
0.00007222 0.00081175 0.00011487
-0.08449634 -0.00159227 0.01859672
-3.20455986 5.62125928 -7.95249814
0.00065525 -0.00005702 0.00008512
-0.00073978 -0.00633580 -0.02072951
-3.77226076 7.70567439 -6.10723671
0.00082312 -0.00008808 -0.00039945
-0.01612932 0.01239241 0.00478173
-21.49653510 30.25501491 3.22467335
0.00120083 0.00091798 -0.00111001
0.01095309 0.01038373 0.02591634
-21.48147384 32.34980150 5.34335845
0.00038791 0.00063151 0.00016494
-0.01045359 -0.00331209 0.01163112
6.95515112 -0.36434652 6.39811421
0.00000294 -0.00033274 -0.00095637
-0.00342218 0.01199970 -0.00821451
7.15881891 1.67684140 8.74027246
0.00088688 0.00012101 -0.00021511
-0.00436792 0.00069667 -0.01693043
6.62194309 12.56843094 -13.34560871
-0.00023259 0.00062892 -0.00066795
0.01159262 0.00730693 -0.00350079
4.44733465 12.20041805 -15.21407561
-0.00093154 0.00061970 -0.00053534
0.02099164 -0.01691854 0.02454467
14.52162762 4.24320649 -2.71372250
-0.00013163 -0.00107353 -0.00090285
0.00599377 -0.00454022 0.00598116
15.31553719 1.42748995 -2.08843781
-0.00076000 -0.00094582 0.00038604
0.00697925 0.01818014 -0.00193219
-2.43628369 13.46165076 -0.45070503
0.00006634 0.00028214 -0.00035269
-0.00754208 0.00003608 -0.00504282
-5.32711548 13.15278626 0.10489009
-0.00021074 -0.00035947 -0.00023961
0.00508206 0.00111057 -0.00623731
3.67106773 10.99687029 3.65837581
0.00069483 0.00049849 -0.00040145
0.01150949 0.02873296 -0.00904590
6.28931666 12.40089858 3.60918995
0.00009660 -0.00022303 0.00022357
0.03266284 -0.00574053 0.00028416
25.11339581 -13.47723144 -8.77128401
0.00072688 0.00065171 -0.00000591
-0.00183347 0.00195082 0.00105548
25.87699438 -11.63727374 -11.11768187
0.00090653 0.00021644 0.00067953
-0.02062533 -0.00868842 0.03109710
14.70102340 -3.92458427 -0.88781024
-0.00033524 -0.00050983 -0.00032458
-0.00935053 -0.00109534 -0.00432290
17.24432889 -5.61862796 -0.80491543
-0.00005261 0.00063808 -0.00000967
-0.02016448 0.02391891 0.00388040
11.79472132 8.04093898 11.28835000
-0.00023797 0.00057114 0.00107922
0.00379412 -0.00827755 0.00823725
12.81621072 9.59984289 9.14596115
-0.00020778 0.00013943 0.00029804
0.01318719 -0.01217138 0.00096595
0.14464309 -14.29444535 17.01414852
-0.00021957 -0.00063024 0.00020620
-0.00990587 -0.00421732 -0.00495816
1.66472383 -12.04484551 18.15225931
0.00059437 0.00034916 0.00059673
-0.00212741 0.01181721 0.00223132
-4.22720817 -2.12908269 -13.44880549
0.00047299 -0.00026753 -0.00028012
-0.00341393 0.03133750 -0.02162761
-3.11514935 -0.73232194 -15.89577806
0.00084339 0.00092726 -0.00054190
-0.00027327 -0.00440783 -0.00597027
14.72856972 -8.28004373 -10.96792563
-0.00137328 0.00119352 -0.00026525
-0.00129927 -0.00666236 0.01247120
15.90249748 -6.60581304 -8.93927812
-0.00057226 -0.00042905 -0.00107008
0.00329458 -0.00566381 -0.00102883
7.33128436 -5.75824588 9.12750160
0.00048782 -0.00086433 0.00059440
-0.00756413 0.00754937 0.00200643
9.34497786 -5.41944427 7.07777636
0.00005019 -0.00070231 0.00034579
-0.00230368 -0.01855470 0.01802512
-20.82229461 2.39022173 20.86424524
-0.00050487 -0.00019975 0.00072782
0.00017594 -0.01260502 -0.02514742
-21.87449377 0.58083056 23.12917425
0.00044273 -0.00035979 0.00062269
-0.00207422 0.00099758 -0.00848916
26.37630588 -2.84197171 -5.97570556
-0.00014508 -0.00023953 -0.00047176
0.00318814 0.00221905 -0.00396497
25.30508207 -1.45100449 -8.21768500
-0.00050650 -0.00013816 0.00031187
-0.00286381 0.01624260 -0.00505053
9.13303273 -15.85491682 -7.61663718
-0.00027949 0.00072050 0.00011038
-0.00051871 0.00860452 -0.00068536
8.62127230 -12.92692200 -7.09597555
0.00004092 -0.00001256 -0.00041513
-0.01114596 0.00863630 0.00959865
-5.41642273 -10.84087119 17.87865696
-0.00062313 -0.00076211 -0.00000320
-0.00982265 -0.01802842 -0.01237802
-6.92270610 -10.98899821 15.40736732
-0.00111901 -0.00083710 0.00080959
0.00232303 0.00019229 -0.00816909
9.74133769 2.31313644 -29.69138539
-0.00107195 -0.00099928 0.00114892
-0.03027887 0.01361749 -0.00640131
6.91319417 2.99224226 -30.64435405
-0.00033943 0.00126940 -0.00028305
-0.01836337 -0.01628418 -0.01134781
12.50359415 14.68863035 14.63430979
0.00018893 0.00043477 0.00085928
0.00186669 0.00526441 -0.01293125
11.32076981 16.24240119 16.95268378
0.00025415 -0.00050940 0.00035699
-0.00963315 -0.01532873 -0.03883674
28.86299132 5.07375374 -4.49128460
0.00032844 0.00012972 0.00006217
0.00220794 -0.00383832 -0.00388403
26.79640126 6.71896381 -3.32137223
-0.00014782 -0.00065488 -0.00118842
-0.01340911 0.00735986 -0.00376778
-9.97370876 4.92450881 6.95753415
0.00002806 -0.00003225 -0.00013349
0.00220621 -0.01150669 -0.01098247
-8.65948665 13.23031049 2.57546211
-0.00004655 0.00008249 0.00005704
0.00241584 -0.00093390 -0.00748314
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09420038
0.34232101
456.12557850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3698996958 (a.u.)
total exchange computation time: 2.6510159969 s
-154.1287214725
-931.43806821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3696958830 (a.u.)
total exchange computation time: 2.6482329369 s
-154.1312308661
Anderson extrapolation: theta=1.3652385083 (1.3652385083)
-931.43828615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3693190713 (a.u.)
total exchange computation time: 2.6488840580 s
-154.1354826772
Anderson extrapolation: theta=0.0583647258 (0.0583647258)
-931.43841908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3692166860 (a.u.)
total exchange computation time: 2.6522371769 s
-154.1364427382
Anderson extrapolation: theta=1.9602693555 (1.9602693555)
-931.43842469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3689879217 (a.u.)
total exchange computation time: 2.6499249935 s
-154.1385142880
Anderson extrapolation: theta=0.2197813115 (0.2197813115)
-931.43843078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3689273923 (a.u.)
total exchange computation time: 2.6498169899 s
-154.1390055424
Anderson extrapolation: theta=1.7012539852 (1.7012539852)
-931.43843194
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3688390694 (a.u.)
total exchange computation time: 2.6504118443 s
-154.1396708205
Anderson extrapolation: theta=0.2759716820 (0.2759716820)
-931.43843327
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3688302845 (a.u.)
total exchange computation time: 2.6514329910 s
-154.1396880190
Anderson extrapolation: theta=1.3243421593 (1.3243421593)
-931.43843359
-71.851328 22.711491 143.617087
559.433740 1032.218409 -412.380207
487.582413 1054.929900 -268.763120
1192.831639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1321146566
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3688304981 (a.u.)
total exchange computation time: 2.6541268826 s
678.98060857
-1083.48899521
89.64973365
-389.36311447
-174.84783589
78.09716743
551.60419304
0.00000000
-931.43843385
3.90489115 -30.79416513 -2.28148124
0.00000830 0.00028489 0.00001241
-0.00115230 -0.01521908 0.00386234
-11.83982837 -2.17245653 -9.13659079
0.00035529 0.00020325 -0.00009429
-0.00554433 0.00456089 -0.00990494
-37.42633163 2.42218899 -0.08943830
-0.00019072 0.00027930 0.00015815
0.01109478 -0.01374671 -0.00146350
-11.50768509 -3.95428916 3.86022081
-0.00023042 -0.00025610 -0.00010673
0.02789105 -0.00161968 -0.00816234
4.65186916 -3.86805470 9.51338563
-0.00038315 -0.00008629 -0.00027829
0.00884637 0.03584103 0.00512001
-31.91069599 -1.01404585 -0.66183424
0.00020019 0.00039735 0.00011778
-0.01690951 0.00495469 -0.00141722
15.00065717 12.58322706 -14.06572317
-0.00040151 0.00003114 0.00027717
0.05476790 -0.02426062 0.03923992
-7.72339649 5.83713556 2.43795779
0.00008588 0.00019072 0.00003530
0.00318248 0.00078219 0.01393558
7.43355510 12.54545792 -5.55649531
0.00028566 0.00012801 -0.00014646
-0.01267619 -0.00626706 -0.01299257
8.92943604 9.80936936 -19.06716940
-0.00010683 0.00015066 0.00016369
0.01182773 -0.01918721 -0.02505928
23.25471765 17.39513382 -2.11740460
0.00020673 -0.00020188 0.00000692
-0.00366741 0.02351382 0.00155254
2.22380512 16.91255009 -19.17450974
0.00028217 -0.00014449 -0.00031839
-0.00530222 0.01185989 0.00582738
14.09348486 -1.45978146 -5.32388710
0.00002387 0.00024132 -0.00016548
-0.01783616 0.00582204 0.00247333
-16.11348487 -1.85675972 3.29902966
0.00010153 0.00026673 -0.00031351
-0.02642401 0.00300677 0.01455918
-17.01142113 -1.73135840 19.43323704
0.00012508 -0.00011241 -0.00028258
0.01614610 -0.00960904 -0.00838559
0.24864208 2.15601658 -5.15555674
0.00011381 -0.00012296 0.00027408
0.00802719 -0.02503808 -0.00133964
22.30741493 -7.16415442 -8.98100460
0.00038565 -0.00011463 0.00006205
0.02599556 -0.01671301 0.00429448
-0.44689168 -6.43505319 7.23777750
-0.00014222 0.00008431 0.00001858
-0.02363224 -0.01828053 0.01561576
-1.88945162 -1.51599465 -19.27597617
0.00017439 0.00018385 -0.00006141
-0.03101330 0.04467395 -0.02115344
3.36749079 2.26185412 -9.28678273
-0.00008232 -0.00021899 0.00009798
0.01209159 -0.00488349 -0.01980692
-3.68082056 18.05818582 12.11830255
-0.00018684 -0.00022790 0.00026862
0.01280617 -0.00601606 0.01651755
-3.69474178 4.98813727 -11.36230614
-0.00029029 -0.00002890 0.00039259
-0.00251191 0.00724495 0.05847806
-8.17844653 3.26834054 -8.96541871
0.00024370 -0.00022990 -0.00016940
-0.03978248 -0.02950339 0.03958726
1.88845098 27.29462813 8.44027855
0.00041936 0.00019166 0.00017485
0.01741335 0.00325662 -0.02579170
10.07149563 -6.19019126 -2.00812560
-0.00030712 -0.00001142 0.00007250
-0.00411234 0.01359705 -0.00642111
-8.80671681 0.56110879 5.87641792
0.00016471 0.00039247 0.00008189
-0.03393716 0.00268648 -0.00179607
20.45956694 10.67282066 8.79471084
-0.00024557 -0.00004399 0.00013698
0.01699942 0.00708914 0.02384746
-2.77405915 -2.15607990 -27.18027753
0.00036322 -0.00000462 0.00006660
0.00258527 -0.01563428 0.03381632
-14.29377332 6.05923253 7.43992361
-0.00003714 0.00011598 0.00026761
0.00374652 -0.00972081 -0.00687380
-9.92390437 7.17451092 -2.67281674
0.00036163 0.00020149 0.00002109
0.00664858 -0.00176400 -0.01079085
-1.70031691 -15.81822565 24.07420710
-0.00019982 0.00015304 -0.00051874
0.09069639 0.00846017 -0.01868301
-2.58852690 6.38416706 -6.45324561
-0.00012458 -0.00011281 0.00014854
0.01944707 -0.00294470 0.01978482
-20.37035408 31.10629914 4.59940712
0.00051395 -0.00009274 -0.00030282
-0.01500599 -0.01043025 -0.03392798
7.56631372 0.01969253 8.10181673
0.00003095 0.00013189 -0.00010821
0.00775107 -0.01153894 0.00718578
5.49807999 11.26246415 -13.92209342
0.00027734 0.00009806 0.00018423
-0.03283823 0.01507913 -0.01387216
15.86000086 3.19361744 -1.96384486
-0.00035040 -0.00030212 -0.00003073
-0.01071434 -0.01778010 0.00013153
-4.09632896 13.62499894 -1.22452894
-0.00028369 -0.00005059 0.00052556
0.00289260 -0.01029765 0.00715027
4.56813612 12.74896410 3.30991065
-0.00012156 -0.00050970 -0.00008142
-0.03716217 -0.03137442 -0.00244145
24.80408283 -11.81933791 -9.47212331
0.00006202 0.00014616 -0.00019678
0.02648718 0.01338328 -0.04302172
16.40575011 -3.94702794 -0.36055762
0.00001562 0.00008872 -0.00013221
0.03869559 -0.01116676 0.00141844
12.92837405 7.86998436 9.84418455
0.00018872 -0.00003721 0.00010518
-0.01441052 0.02984370 0.00650958
1.74403202 -13.78505527 17.69553776
-0.00041565 -0.00019312 -0.00009978
0.01916983 -0.00442877 0.00663039
-4.43020449 -0.61636316 -14.62151063
-0.00000894 -0.00024824 0.00042450
0.02017419 -0.02507089 0.02543334
14.97497972 -8.19786339 -9.09284875
0.00033999 0.00045058 0.00038451
0.00006728 0.00127549 -0.02136219
8.87499765 -6.54352173 8.52440742
-0.00047448 -0.00029179 0.00017240
0.01457241 0.00428579 -0.01945209
-21.35013622 2.24871784 22.56181087
0.00002991 0.00008173 0.00011872
-0.00432330 0.00892499 0.04246798
25.85472520 -3.10288531 -7.73513351
-0.00005268 -0.00026312 -0.00038514
-0.00255596 -0.01297082 0.01255715
9.83416839 -14.12635069 -7.65375448
-0.00006257 -0.00016601 -0.00024077
0.01847219 -0.00558320 -0.01716874
-6.24396858 -12.08662194 16.71109173
-0.00043787 -0.00032969 0.00016582
0.01186883 0.01459680 0.02609402
8.23388416 3.44244318 -29.51661675
0.00001515 0.00002272 0.00020399
0.03658048 -0.00770467 0.01667776
10.97009754 15.65709387 15.12086218
-0.00029842 -0.00028567 0.00012219
0.00199375 0.00603375 0.05918083
28.47398753 6.07206195 -3.01873697
0.00032725 -0.00020349 -0.00003557
0.00159394 0.01048894 -0.00152804
5.28274399 -31.38441712 -3.36689238
0.00027907 0.00040947 -0.00017443
0.00312973 0.00082349 0.00119131
4.09784587 -31.56879381 -0.62861052
-0.00073845 -0.00067249 -0.00001553
0.00202029 0.00387952 0.00035810
-11.70938176 -3.93137949 -8.46826666
0.00037785 0.00075850 -0.00001102
-0.00632784 0.00811881 -0.01605110
-12.59969140 -2.18211025 -10.84095736
-0.00036044 0.00033499 0.00010268
0.01077148 -0.00444886 0.02194372
-38.79460792 2.14359987 1.04989528
-0.00002132 0.00027991 -0.00082387
-0.00645034 -0.00591775 0.01050436
-37.77675734 4.02021697 -0.93991956
0.00026495 -0.00050870 0.00046335
-0.00126277 0.00658176 -0.00394578
-10.82252603 -5.62642847 3.39428184
-0.00034396 0.00085899 0.00065778
-0.00448947 0.00151841 0.00573079
-9.97239587 -2.91118499 3.62001071
-0.00066646 0.00025203 -0.00012328
-0.01765936 -0.00188829 0.00590154
5.52628515 -2.21537930 8.97273641
-0.00036413 -0.00026287 -0.00112609
-0.01391263 -0.03193575 0.00952836
4.36011337 -3.50168602 11.32370649
0.00087207 0.00021437 -0.00021940
0.00437816 -0.01164174 -0.01322265
-33.34555224 -2.16936173 -0.75552159
0.00016152 0.00052365 -0.00038799
0.00145961 0.01173110 0.00583450
-32.51311818 0.62403203 -0.08931427
-0.00042354 0.00093051 0.00144144
-0.00687450 -0.00888428 0.00309099
14.92265664 12.96240955 -15.80303703
-0.00049786 -0.00021849 -0.00117958
-0.00958412 0.01104542 -0.03195959
16.84812047 11.98681054 -13.85242045
-0.00092236 -0.00005463 0.00093473
-0.04596130 0.01013998 -0.00099510
-8.39449768 7.10087262 1.31869714
-0.00029706 -0.00063964 0.00016038
-0.00101698 0.00014152 -0.00374961
-7.07867440 4.55134656 1.29482159
-0.00129189 0.00096446 0.00067573
-0.00195939 -0.00092473 -0.00496835
6.08343498 12.52687819 -6.81789474
-0.00060482 -0.00060366 -0.00009971
0.00877298 0.00031717 0.00412969
8.78528385 13.65153410 -6.25867697
0.00109113 0.00019758 -0.00087788
0.00057777 0.00356769 -0.00382799
8.94218549 9.05009254 -20.77503066
-0.00033595 -0.00026950 0.00042125
-0.00871071 0.00566636 0.01623559
10.74614894 10.17257058 -18.95418113
-0.00075781 0.00088936 -0.00097943
-0.00737157 0.01127011 0.00687066
24.24604280 15.88871835 -2.62433545
-0.00013267 -0.00125743 -0.00065824
-0.00029380 0.01029714 0.00465114
24.38029295 18.89643691 -2.25572495
0.00129889 -0.00103417 -0.00048685
-0.00237367 -0.01958766 -0.00125479
1.90351528 17.36491985 -20.92771019
-0.00123475 -0.00047354 -0.00154883
-0.00496832 -0.00576538 -0.00640046
3.08815131 15.26896750 -19.16342515
-0.00148398 -0.00032478 0.00027050
0.00582276 -0.00092395 -0.00050101
13.04146319 -1.76392447 -6.79214110
-0.00080040 0.00202371 0.00015559
0.00227278 0.00183977 -0.01049175
12.83809680 -0.99921898 -4.02802393
0.00003808 -0.00063118 0.00038496
0.01579918 -0.00540111 -0.00363292
-17.56298418 -3.10139281 3.56937488
-0.00035274 0.00070412 -0.00020220
0.03413973 0.01270258 -0.00912027
-14.45864392 -2.62227827 3.06222363
0.00015343 0.00110293 0.00099371
-0.00791734 -0.01088576 0.00400865
-16.39337805 -0.00509808 19.88885409
0.00066883 -0.00021415 -0.00055364
0.00286571 -0.01654564 0.00616473
-15.61112668 -2.97272015 19.56686753
0.00037848 -0.00084248 -0.00074469
-0.01619413 0.02395501 0.00458607
-0.77819977 0.57441103 -5.02779535
0.00022905 -0.00057471 -0.00064623
0.00002113 0.01785929 -0.00067365
-0.84891531 3.54383920 -4.77737061
0.00085952 -0.00000294 -0.00019072
-0.01301655 0.00705272 -0.00234049
23.36485989 -8.67574461 -9.20663286
-0.00011769 0.00067659 -0.00018504
-0.02019132 -0.00570395 -0.00189368
23.64737926 -6.10524734 -8.34461872
-0.00012586 0.00009160 -0.00054824
-0.00293722 0.02255376 0.00413239
0.56630711 -5.98375116 5.80634817
-0.00026685 -0.00010503 -0.00019420
0.00897398 0.01408999 -0.00291777
-0.45641292 -5.21741570 8.59574391
0.00012938 0.00023068 -0.00014544
0.01089354 0.00019891 -0.00820904
-1.03202981 -2.91727209 -18.68003453
-0.00037098 0.00030006 -0.00021590
0.01660765 -0.04226917 0.00831556
-3.37690064 -2.00756357 -20.30649191
0.00097111 -0.00014580 -0.00033270
0.01385094 -0.00620086 0.01012355
2.95052173 2.62767293 -11.05790543
-0.00061646 -0.00096643 -0.00086326
-0.00358170 0.00271828 0.01398972
1.89331115 2.36260258 -8.20344953
-0.00057061 0.00073893 -0.00009340
-0.00644377 0.00582337 0.00717208
-2.32955943 16.83521060 12.69943167
-0.00032549 0.00045316 0.00034409
-0.01588341 0.01054375 -0.01514871
-3.62084748 19.25076676 13.53262123
0.00068878 -0.00032352 -0.00097000
-0.00251734 -0.00313476 -0.00444809
-4.20844262 6.24131059 -12.47096398
-0.00120377 0.00124853 0.00032089
-0.00926320 0.02453313 -0.03225566
-3.00849904 3.55511651 -12.07997412
0.00076571 -0.00038867 0.00021481
0.00916116 -0.03595706 -0.03115469
-7.66023677 2.28762317 -7.46998100
-0.00008540 -0.00007764 0.00024771
-0.00552693 0.00523408 -0.01528155
-6.67854686 3.86879535 -9.61414495
0.00046364 -0.00085420 0.00101375
0.04188022 0.01960071 -0.02243786
1.94134508 28.23384454 6.78987825
0.00027149 0.00004042 0.00027155
-0.00125125 -0.00986065 0.02773285
0.23398146 27.49960812 9.08360730
0.00086658 0.00016553 -0.00011210
-0.01564634 0.00830948 0.00308749
10.90008033 -6.71308339 -0.48365391
-0.00001836 -0.00086398 0.00024160
0.00837713 -0.00951678 0.01038551
8.84602212 -7.48328386 -2.36624540
-0.00044457 0.00021603 -0.00099385
-0.00258362 -0.00317551 0.00001643
-7.06985226 0.19488690 6.33042052
0.00037000 0.00030626 -0.00030437
0.00938751 -0.00986103 0.01038670
-9.90010726 -0.52140941 6.91052445
0.00056388 -0.00147137 0.00038137
0.01275562 0.01024049 -0.00706741
21.55631628 10.42993978 10.31435613
0.00069467 -0.00038934 -0.00056149
-0.01505017 -0.00707922 -0.01720909
20.69389049 12.49472802 8.62549608
0.00072715 0.00069231 -0.00042743
0.00025838 0.00501923 -0.01111539
-1.61956014 -3.10685798 -25.98588261
0.00007441 -0.00042377 -0.00088708
-0.01573140 0.00721727 -0.02258024
-4.44940574 -2.30046638 -26.32892542
0.00102214 0.00015592 -0.00112454
0.02020673 0.00511924 -0.01255631
-14.43975051 7.07815199 8.93967647
0.00049415 0.00017349 0.00022945
-0.00446443 0.00710420 -0.00869727
-14.55407879 7.12384029 5.95409985
-0.00113564 0.00016111 0.00078348
-0.00094422 0.00296465 0.01305558
-11.24100510 6.61889286 -3.85086134
0.00002558 -0.00018112 0.00086375
0.01189411 0.01455916 0.00692370
-8.71135056 8.20361794 -3.67469081
0.00026378 0.00026742 0.00051158
-0.01459937 -0.00718789 0.00277423
-1.13312569 -17.48614176 23.49421314
0.00057053 -0.00025035 -0.00031600
-0.00142341 -0.00125431 -0.00031036
-3.34318728 -15.78788734 24.47696398
-0.00027117 0.00080404 0.00019073
-0.08359386 -0.00218412 0.01853584
-3.19475385 5.62020977 -7.95185662
0.00065062 -0.00008406 -0.00000281
-0.00152664 -0.00689775 -0.02231327
-3.76040815 7.70473286 -6.11308187
0.00075003 -0.00003017 -0.00037832
-0.01965200 0.01595811 0.00555740
-21.47818696 30.26910276 3.20881740
0.00124345 0.00095928 -0.00100353
0.00990717 0.00983394 0.02620606
-21.47597551 32.35917258 5.34618898
0.00035192 0.00060890 0.00020666
-0.00716509 -0.00775454 0.00879042
6.95509041 -0.36896988 6.38351700
-0.00000752 -0.00028056 -0.00097921
-0.00169748 0.01354412 -0.00296798
7.17198831 1.67867787 8.73652698
0.00086764 0.00012767 -0.00028342
-0.00505330 0.00256242 -0.01650780
6.61880954 12.57808864 -13.35573522
-0.00018281 0.00066059 -0.00068083
0.01277452 0.00819463 -0.00280337
4.43400483 12.20919511 -15.22135359
-0.00083754 0.00054296 -0.00042537
0.02502153 -0.02064511 0.02928583
14.51983679 4.22696441 -2.72708197
-0.00010874 -0.00108965 -0.00087919
0.00521506 -0.00334903 0.00559915
15.30435108 1.41385976 -2.08270643
-0.00072822 -0.00086294 0.00037878
0.00857657 0.02239016 -0.00162251
-2.43551966 13.46588390 -0.45614989
0.00003539 0.00028152 -0.00037145
-0.00761089 -0.00033931 -0.00414041
-5.33012087 13.14742829 0.10110485
-0.00019234 -0.00035624 -0.00025967
0.00392413 0.00046981 -0.00358281
3.68184285 11.00522806 3.65207686
0.00073836 0.00060808 -0.00043675
0.00980113 0.02491604 -0.00823564
6.29176661 12.39737724 3.61255219
0.00022561 -0.00024548 0.00022382
0.03048832 -0.00525004 -0.00016167
25.12424290 -13.46739602 -8.77134024
0.00071954 0.00065550 0.00000063
-0.00176247 -0.00009696 0.00214419
25.88996037 -11.63429337 -11.10653607
0.00082243 0.00018179 0.00080343
-0.02054206 -0.00827246 0.02955344
14.69570828 -3.93226525 -0.89281143
-0.00036645 -0.00051423 -0.00033991
-0.00592682 -0.00105910 -0.00318116
17.24292191 -5.60832383 -0.80494160
-0.00013244 0.00073036 0.00000516
-0.01891458 0.02125544 0.00337843
11.79126809 8.04925246 11.30479072
-0.00021335 0.00053498 0.00110120
0.00825434 -0.00942258 0.00252006
12.81349810 9.60156136 9.15046135
-0.00015335 0.00008861 0.00030161
0.01345926 -0.01270319 0.00078036
0.14104592 -14.30402819 17.01708962
-0.00026272 -0.00064588 0.00018538
-0.01121188 -0.00343570 -0.00523350
1.67357412 -12.03924596 18.16127858
0.00058417 0.00038555 0.00060204
-0.00286520 0.00599601 0.00037126
-4.22021793 -2.13213537 -13.45366997
0.00045947 -0.00014294 -0.00036597
-0.00320495 0.02965115 -0.02039718
-3.10250690 -0.71854805 -15.90408957
0.00082926 0.00090937 -0.00055350
-0.00664258 -0.00434891 0.00029547
14.70793067 -8.26234501 -10.97152219
-0.00137695 0.00116427 -0.00020511
-0.00049582 -0.00765789 0.01696778
15.89401456 -6.61242231 -8.95536077
-0.00054863 -0.00043566 -0.00106987
0.00827081 0.00242652 0.00112684
7.33836992 -5.77097944 9.13647903
0.00044665 -0.00082712 0.00060552
-0.01259175 0.01066347 0.00343666
9.34566008 -5.43054747 7.08351549
0.00004009 -0.00077545 0.00041735
-0.00263713 -0.01724637 0.01700769
-20.82986227 2.38683916 20.87439196
-0.00050009 -0.00025022 0.00061211
0.00216518 -0.01209699 -0.03149543
-21.86791644 0.57546427 23.13825453
0.00043564 -0.00034946 0.00058606
-0.00139340 0.00405936 -0.00944155
26.37422734 -2.84549667 -5.98290348
-0.00013127 -0.00023100 -0.00048650
0.00357492 0.00195895 -0.00325200
25.29739679 -1.45257921 -8.21316170
-0.00051794 -0.00007305 0.00029065
-0.00273385 0.01563173 -0.00533792
9.12882454 -15.84384568 -7.61500242
-0.00028369 0.00074634 0.00010763
-0.00153966 0.00404427 -0.00066204
8.62154456 -12.92684582 -7.10190832
-0.00000407 0.00002342 -0.00037586
-0.01087640 0.00898018 0.00962273
-5.42607072 -10.85285529 17.87822964
-0.00066065 -0.00083136 -0.00005050
-0.00854059 -0.01587060 -0.01077323
-6.93942010 -11.00154879 15.41926085
-0.00111179 -0.00083206 0.00077156
0.00121223 0.00227196 -0.01044675
9.72433062 2.29856451 -29.67434776
-0.00119200 -0.00094567 0.00112108
-0.02848511 0.01262656 -0.00722476
6.90753998 3.01078432 -30.64894750
-0.00041031 0.00120342 -0.00032613
-0.01633443 -0.01601633 -0.00974166
12.50648535 14.69531317 14.64680269
0.00019806 0.00045445 0.00080411
0.00259910 0.00437043 -0.01407468
11.32428689 16.23429045 16.95684863
0.00021273 -0.00057109 0.00019783
-0.01064151 -0.01486851 -0.03907435
28.86798561 5.07558187 -4.49047112
0.00033982 0.00011102 0.00004340
0.00336193 -0.00531452 -0.00530264
26.79377305 6.70936614 -3.33931396
-0.00019586 -0.00062657 -0.00120094
-0.01010638 0.00649981 -0.00236141
-9.97328193 4.92399417 6.95550238
0.00002884 -0.00003632 -0.00013736
0.00214273 -0.01125579 -0.01068744
-8.66018073 13.23154629 2.57630476
-0.00004600 0.00008227 0.00005531
0.00232739 -0.00097128 -0.00744193
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09432686
0.34410699
458.50530598
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3711655444 (a.u.)
total exchange computation time: 2.5991809368 s
-154.1333949779
-931.43876063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3710213208 (a.u.)
total exchange computation time: 2.5988490582 s
-154.1355531298
Anderson extrapolation: theta=1.3539364961 (1.3539364961)
-931.43896982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3707441986 (a.u.)
total exchange computation time: 2.6011619568 s
-154.1392266498
Anderson extrapolation: theta=0.0548372399 (0.0548372399)
-931.43909527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3706631811 (a.u.)
total exchange computation time: 2.5985419750 s
-154.1400706796
Anderson extrapolation: theta=1.9651836692 (1.9651836692)
-931.43910007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3704854780 (a.u.)
total exchange computation time: 2.5995640755 s
-154.1418735210
Anderson extrapolation: theta=0.2341762304 (0.2341762304)
-931.43910504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3704415889 (a.u.)
total exchange computation time: 2.6007211208 s
-154.1422918012
Anderson extrapolation: theta=1.8197124843 (1.8197124843)
-931.43910597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3703823206 (a.u.)
total exchange computation time: 2.5981938839 s
-154.1428449476
Anderson extrapolation: theta=0.2952697743 (0.2952697743)
-931.43910699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3703851293 (a.u.)
total exchange computation time: 2.5990040302 s
-154.1428103971
Anderson extrapolation: theta=1.2691175018 (1.2691175018)
-931.43910722
-71.845363 22.763585 143.540560
559.428634 1032.222137 -412.407726
487.583271 1054.985722 -268.867167
1192.904804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3704029936 (a.u.)
total exchange computation time: 2.5978691578 s
679.00424059
-1083.53765586
89.64723188
-389.33085475
-174.85166621
78.12248039
551.60419304
0.00000000
-931.43910735
3.90501114 -30.78995054 -2.28128024
0.00000804 0.00027660 0.00001455
0.00017825 -0.01700879 0.00447328
-11.83452042 -2.16939023 -9.13804339
0.00035234 0.00020621 -0.00009966
-0.00593371 0.00697334 -0.01097574
-37.42914965 2.42632551 -0.08707172
-0.00018353 0.00027114 0.00015716
0.01685815 -0.01799160 -0.00236891
-11.51103377 -3.95813690 3.85858841
-0.00021691 -0.00025505 -0.00011029
0.02463910 0.00570280 -0.00569697
4.64615597 -3.86921085 9.50923108
-0.00037845 -0.00006787 -0.00027591
0.00944601 0.03578726 0.00410528
-31.90775834 -1.00806654 -0.66007297
0.00019084 0.00040169 0.00011776
-0.01946356 0.01192665 0.00133794
14.99484575 12.58360057 -14.06141423
-0.00037425 0.00001959 0.00029440
0.05124283 -0.02066437 0.02776396
-7.72209601 5.83999930 2.43854105
0.00008691 0.00019228 0.00004450
0.00080842 0.00531800 0.02182397
7.43779106 12.54735394 -5.55874233
0.00027906 0.00012528 -0.00015406
-0.01299279 -0.00437711 -0.01657487
8.92787915 9.81155532 -19.06481066
-0.00010166 0.00014070 0.00015076
0.00829132 -0.01957244 -0.02522901
23.25780442 17.39219626 -2.11729474
0.00020553 -0.00019084 0.00000738
-0.00097241 0.01943550 0.00022804
2.22801729 16.91042848 -19.17926310
0.00027840 -0.00013687 -0.00031738
-0.00938717 0.01775352 -0.00192047
14.09377416 -1.45613919 -5.32635977
0.00001442 0.00024435 -0.00016393
-0.01893177 0.00595118 0.00353785
-16.11206384 -1.85274722 3.29438322
0.00008713 0.00026897 -0.00030580
-0.02956853 0.00571675 0.01541459
-17.00948270 -1.73308158 19.42896596
0.00013411 -0.00011800 -0.00028684
0.01900171 -0.01213795 -0.00815755
0.25038026 2.15407567 -5.15145068
0.00011852 -0.00013675 0.00027305
0.01029230 -0.02860779 -0.00266939
22.31329990 -7.16593835 -8.98005725
0.00039744 -0.00012237 0.00006413
0.01986792 -0.01340140 0.00377813
-0.44911613 -6.43385913 7.23811645
-0.00015427 0.00007489 0.00002642
-0.02323495 -0.01834073 0.01488639
-1.88695542 -1.51306452 -19.27697891
0.00015863 0.00020743 -0.00007220
-0.03028548 0.04699055 -0.02080070
3.36630258 2.25855040 -9.28538937
-0.00007712 -0.00022119 0.00008673
0.00814228 -0.00366527 -0.02396059
-3.68357371 18.05474410 12.12239550
-0.00018053 -0.00023162 0.00027565
0.01170120 -0.00845027 0.01084157
-3.69910580 4.98773170 -11.35619167
-0.00029165 -0.00002474 0.00041996
-0.00279066 0.00894324 0.04795555
-8.17494446 3.26477817 -8.96780699
0.00022260 -0.00024550 -0.00014852
-0.04226275 -0.03113206 0.04159391
1.89480859 27.29751566 8.44280185
0.00042925 0.00019306 0.00016146
0.02103208 0.00218911 -0.02629967
10.06687302 -6.19031017 -2.00706284
-0.00030883 -0.00000484 0.00006995
-0.00256752 0.01202371 -0.00349166
-8.80437709 0.56700625 5.87763935
0.00014658 0.00039259 0.00008200
-0.03657776 -0.00223297 0.00221252
20.45594894 10.67218808 8.79685750
-0.00023651 -0.00003884 0.00014892
0.01824102 0.01293924 0.02257703
-2.76860093 -2.15620947 -27.17914803
0.00036577 -0.00001217 0.00008242
0.00735418 -0.01374105 0.02768527
-14.29431595 6.06093477 7.44391122
-0.00003518 0.00011080 0.00026434
0.00385738 -0.01042193 -0.00581611
-9.91845433 7.17752648 -2.67254204
0.00036486 0.00020038 0.00001632
0.00593893 -0.00255473 -0.00774828
-1.70296438 -15.81589742 24.06635398
-0.00015414 0.00015676 -0.00052840
0.08694184 0.00602391 -0.01890786
-2.59032059 6.38246354 -6.45094125
-0.00011368 -0.00011512 0.00015875
0.02292584 -0.00601870 0.01995259
-20.36270272 31.10486777 4.59473389
0.00050552 -0.00009704 -0.00031941
-0.01778755 -0.00626569 -0.03058065
7.56680783 0.02162641 8.10022127
0.00003462 0.00012505 -0.00010598
0.00651321 -0.01507256 0.00150524
5.50211350 11.26399327 -13.91938351
0.00025944 0.00010644 0.00017596
-0.03676848 0.01747990 -0.01826701
15.85470348 3.18901705 -1.96430525
-0.00035599 -0.00031247 -0.00003061
-0.01100842 -0.02247277 0.00032443
-4.10057310 13.62420035 -1.21661800
-0.00028183 -0.00005563 0.00052820
0.00431843 -0.00927898 0.00312949
4.56616935 12.74119753 3.30867992
-0.00013917 -0.00052470 -0.00008277
-0.03130934 -0.02693908 -0.00280329
24.80511532 -11.81709390 -9.47524103
0.00007548 0.00015334 -0.00021862
0.02586266 0.01453731 -0.04187555
16.40613373 -3.94574024 -0.36253531
0.00003413 0.00008376 -0.00013159
0.03325047 -0.00812272 0.00100647
12.93114933 7.86954133 9.84578737
0.00018019 -0.00002161 0.00010995
-0.01878143 0.03083254 0.01204205
1.73787116 -13.78796918 17.69406665
-0.00040529 -0.00019412 -0.00009586
0.02113987 0.00056438 0.00860316
-4.43026077 -0.62018351 -14.61504500
0.00000288 -0.00026050 0.00043555
0.02577327 -0.02258038 0.01751720
14.98007986 -8.19109971 -9.08716354
0.00033843 0.00044928 0.00037199
-0.00612510 -0.00635112 -0.02730548
8.86793665 -6.54788199 8.52691838
-0.00046571 -0.00029074 0.00016240
0.01954682 -0.00022150 -0.01942632
-21.34970418 2.24997816 22.56375552
0.00002714 0.00008551 0.00014213
-0.00646773 0.00577995 0.04855371
25.85392514 -3.10688220 -7.74086219
-0.00005415 -0.00026939 -0.00037887
-0.00315602 -0.01140277 0.01183605
9.83330109 -14.12886241 -7.65743229
-0.00005286 -0.00016757 -0.00024958
0.01929123 -0.00045910 -0.01706847
-6.25049084 -12.09151100 16.71367966
-0.00043186 -0.00032330 0.00017924
0.01149038 0.01023782 0.02608793
8.23425247 3.44275424 -29.51349263
0.00003254 0.00001898 0.00021217
0.03106478 -0.00685121 0.01513267
10.96562895 15.65283203 15.12292325
-0.00029730 -0.00028257 0.00015272
0.00236201 0.00602670 0.05954169
28.47890245 6.06904999 -3.01927635
0.00032682 -0.00019741 -0.00003645
-0.00327400 0.01315553 -0.00189511
5.28702599 -31.37824990 -3.36947227
0.00028976 0.00041349 -0.00016767
0.00210284 0.00114859 0.00211828
4.08683110 -31.57876227 -0.62883247
-0.00072996 -0.00065442 -0.00001809
0.00213349 0.00496723 -0.00161191
-11.70390798 -3.91975313 -8.46892388
0.00035195 0.00078664 -0.00007502
-0.00635011 0.00565140 -0.01527654
-12.60476793 -2.17722179 -10.83874468
-0.00031594 0.00031684 0.00019299
0.01101399 -0.00443359 0.02226253
-38.79512534 2.14761724 1.03785907
-0.00005719 0.00025348 -0.00077290
-0.01111040 -0.00702266 0.01444518
-37.77282174 4.01278813 -0.93309025
0.00025773 -0.00047141 0.00044145
-0.00227206 0.01167392 -0.00677141
-10.82782298 -5.61349704 3.40432409
-0.00035672 0.00085052 0.00067661
-0.00175609 -0.00566737 0.00348933
-9.98293389 -2.90746244 3.61834238
-0.00073723 0.00024471 -0.00009948
-0.01698569 -0.00169494 0.00574786
5.52039688 -2.22030097 8.95613706
-0.00042127 -0.00039332 -0.00108604
-0.01405743 -0.03192175 0.01007596
4.37332858 -3.49882722 11.32001030
0.00088887 0.00016751 -0.00027201
0.00384705 -0.01129646 -0.01253169
-33.34308467 -2.16114747 -0.76116269
0.00016669 0.00057056 -0.00036392
0.00106733 0.01122993 0.00594733
-32.51968192 0.63771740 -0.06759791
-0.00044594 0.00088027 0.00144825
-0.00408979 -0.01570803 0.00024085
14.91489505 12.95947060 -15.82171015
-0.00053489 -0.00017933 -0.00128572
-0.00854077 0.00812427 -0.01999461
16.83287667 11.98630184 -13.83843001
-0.00110522 -0.00001402 0.00092976
-0.04355186 0.00973901 -0.00143564
-8.39898468 7.09128235 1.32098793
-0.00030481 -0.00063207 0.00014089
-0.00278036 0.00356271 -0.00578949
-7.09811283 4.56578518 1.30480537
-0.00129131 0.00094450 0.00064342
0.00224505 -0.00884785 -0.01084857
6.07463145 12.51783298 -6.81926391
-0.00056177 -0.00060131 -0.00007767
0.01229968 0.00083490 0.00666299
8.80166843 13.65460710 -6.27196243
0.00108613 0.00020760 -0.00089083
-0.00302281 0.00133959 -0.00251444
8.93687928 9.04622374 -20.76821444
-0.00037233 -0.00024705 0.00048612
-0.00909720 0.00531957 0.01551802
10.73455588 10.18625638 -18.96866199
-0.00077970 0.00093703 -0.00094963
-0.00334197 0.01206355 0.00771658
24.24404374 15.87017249 -2.63406657
-0.00013868 -0.00120801 -0.00063573
-0.00264852 0.01389179 0.00636988
24.39970353 18.88032414 -2.26306608
0.00128827 -0.00111242 -0.00049166
-0.00282505 -0.01871751 -0.00110261
1.88484177 17.35764003 -20.95113872
-0.00125090 -0.00050236 -0.00155835
-0.00293556 -0.00834149 0.00174011
3.06607010 15.26406748 -19.15938295
-0.00145593 -0.00033433 0.00026704
0.00790573 -0.00374863 -0.00119279
13.02952683 -1.73351245 -6.79012880
-0.00079061 0.00203021 0.00011093
0.00251778 0.00134465 -0.01136956
12.83915215 -1.00885218 -4.02236090
0.00010463 -0.00065261 0.00036981
0.01677853 -0.00508952 -0.00378370
-17.56722915 -3.09044169 3.56606245
-0.00021203 0.00075423 -0.00023978
0.03473813 0.01182485 -0.00927467
-14.45658501 -2.60606793 3.07725217
0.00012620 0.00105376 0.00100847
-0.00541336 -0.01318183 0.00321714
-16.38325773 -0.00881735 19.88073836
0.00067985 -0.00028202 -0.00052854
0.00252536 -0.01667928 0.00612202
-15.60594576 -2.98462335 19.55583764
0.00030715 -0.00073948 -0.00072613
-0.01871867 0.02646442 0.00450282
-0.77476337 0.56633758 -5.03750952
0.00022932 -0.00049821 -0.00064797
0.00011238 0.01958816 -0.00017343
-0.83642142 3.54401120 -4.78030318
0.00080105 0.00002991 -0.00019840
-0.01560257 0.00902682 -0.00141982
23.36247582 -8.66577060 -9.20946649
-0.00019312 0.00064331 -0.00019415
-0.01673317 -0.01058394 -0.00256696
23.64540143 -6.10318228 -8.35271569
-0.00013258 0.00018740 -0.00052901
-0.00035212 0.02434397 0.00527854
0.56257942 -5.98489478 5.80334583
-0.00023070 -0.00004770 -0.00020538
0.00871864 0.01397048 -0.00255972
-0.45413847 -5.21394939 8.59331069
0.00017382 0.00023172 -0.00017835
0.01086094 0.00030917 -0.00790048
-1.03708561 -2.91406648 -18.68301816
-0.00029915 0.00012252 -0.00017906
0.01855609 -0.04463438 0.00971556
-3.36190961 -2.00994056 -20.31117220
0.00102227 -0.00017086 -0.00029439
0.01119163 -0.00606944 0.00862891
2.94116511 2.61325983 -11.07042558
-0.00062733 -0.00095702 -0.00079519
-0.00173948 0.00188678 0.01933013
1.88455458 2.37386495 -8.20463077
-0.00059217 0.00076177 -0.00006641
-0.00411034 0.00535661 0.00604068
-2.33492846 16.84233105 12.70412877
-0.00038685 0.00049111 0.00028280
-0.01415437 0.00803359 -0.01485016
-3.61059293 19.24581785 13.51793498
0.00067719 -0.00032615 -0.00097771
-0.00315373 0.00184811 0.00067448
-4.22678310 6.26079033 -12.46713909
-0.00123342 0.00132917 0.00020488
-0.00524907 0.01494014 -0.02453227
-2.99673269 3.54818460 -12.07770660
0.00079594 -0.00051937 0.00009349
0.00563637 -0.02802020 -0.02823451
-7.66168719 2.28661889 -7.46673355
-0.00010955 -0.00005578 0.00018446
-0.00629256 0.00546818 -0.01568061
-6.67030896 3.85658301 -9.59962626
0.00064124 -0.00077114 0.00091873
0.04505655 0.02105517 -0.02407414
1.94537909 28.23414862 6.79480138
0.00026692 0.00000143 0.00038195
-0.00098343 -0.00922536 0.02630532
0.24650074 27.50234568 9.08202040
0.00079434 0.00020042 -0.00009595
-0.01971853 0.00876793 0.00481719
10.90006156 -6.72633466 -0.47971162
0.00001116 -0.00090090 0.00027668
0.00607472 -0.00855797 0.00678365
8.83927442 -7.48014065 -2.38115267
-0.00045318 0.00020429 -0.00099260
-0.00163134 -0.00257152 0.00059773
-7.06401456 0.19917856 6.32617320
0.00040650 0.00026665 -0.00026265
0.00847898 -0.00952675 0.01003582
-9.89125822 -0.54316613 6.91602843
0.00062313 -0.00142036 0.00034499
0.01624981 0.01473003 -0.01073991
21.56627511 10.42388278 10.30540642
0.00063269 -0.00041751 -0.00063123
-0.01528671 -0.00671340 -0.01692751
20.70480567 12.50526648 8.61874400
0.00072604 0.00070030 -0.00047093
-0.00080193 -0.00110680 -0.01017674
-1.61892605 -3.11299334 -25.99988069
0.00001375 -0.00039678 -0.00097408
-0.01396264 0.00599263 -0.02000614
-4.43345438 -2.29797065 -26.34617831
0.00109150 0.00017578 -0.00116849
0.01374083 0.00460046 -0.00895815
-14.43247508 7.08097208 8.94285176
0.00047596 0.00020239 0.00019508
-0.00444112 0.00704228 -0.00812820
-14.57114237 7.12634779 5.96625218
-0.00113947 0.00017449 0.00083376
-0.00093108 0.00358550 0.01155554
-11.24025699 6.61662220 -3.83769292
0.00007309 -0.00012172 0.00088943
0.01136409 0.01451961 0.00564475
-8.70784123 8.20740899 -3.66693212
0.00020590 0.00023943 0.00051959
-0.01373486 -0.00651551 0.00114744
-1.12461137 -17.48993549 23.48946368
0.00056024 -0.00024959 -0.00031471
-0.00361381 0.00162699 0.00094049
-3.34981640 -15.77589373 24.48039291
-0.00060109 0.00079368 0.00026391
-0.07790594 -0.00288514 0.01728709
-3.18504140 5.61873752 -7.95258259
0.00064341 -0.00011253 -0.00009568
-0.00200272 -0.00703684 -0.02314688
-3.74975995 7.70476934 -6.11858643
0.00066359 0.00004127 -0.00035445
-0.02265963 0.01901206 0.00613021
-21.45923165 30.28379329 3.19456751
0.00128172 0.00099825 -0.00089668
0.00882543 0.00924066 0.02609619
-21.47091629 32.36806842 5.34955825
0.00032927 0.00056833 0.00023684
-0.00392000 -0.01210513 0.00598315
6.95492566 -0.37276317 6.36873790
-0.00001109 -0.00022230 -0.00098098
-0.00005342 0.01497458 0.00209995
7.18484800 1.68067139 8.73176980
0.00084571 0.00014199 -0.00034987
-0.00568046 0.00444918 -0.01601749
6.61645889 12.58824855 -13.36603354
-0.00012888 0.00069506 -0.00069121
0.01362051 0.00868040 -0.00228064
4.42220849 12.21670691 -15.22683675
-0.00072872 0.00045242 -0.00029809
0.02824632 -0.02367401 0.03301700
14.51836556 4.21051708 -2.74009830
-0.00008924 -0.00110075 -0.00085732
0.00432586 -0.00208833 0.00510658
15.29369059 1.40160178 -2.07707448
-0.00069040 -0.00076450 0.00037264
0.00993565 0.02579687 -0.00138149
-2.43522206 13.47009624 -0.46184850
0.00000459 0.00027932 -0.00038634
-0.00746524 -0.00073762 -0.00314911
-5.33288577 13.14209912 0.09710004
-0.00017895 -0.00035579 -0.00026863
0.00263383 -0.00025068 -0.00080278
3.69321864 11.01511283 3.64527317
0.00077414 0.00070043 -0.00046843
0.00771018 0.02028594 -0.00726967
6.29608506 12.39353415 3.61590452
0.00034337 -0.00026557 0.00022181
0.02715579 -0.00458592 -0.00082132
25.13498197 -13.45756654 -8.77126507
0.00071243 0.00065120 0.00001158
-0.00171686 -0.00200875 0.00321551
25.90166742 -11.63181998 -11.09357906
0.00073945 0.00014903 0.00091991
-0.02007769 -0.00776620 0.02746709
14.69002994 -3.94001115 -0.89800758
-0.00038303 -0.00051836 -0.00035034
-0.00218836 -0.00096075 -0.00192199
17.24035572 -5.59671703 -0.80476071
-0.00020636 0.00081046 0.00001760
-0.01727250 0.01795263 0.00271335
11.78832074 8.05698847 11.32138587
-0.00017137 0.00049428 0.00110066
0.01229601 -0.01050398 -0.00278320
12.81161035 9.60250130 9.15500937
-0.00009797 0.00003645 0.00030423
0.01364786 -0.01283324 0.00050345
0.13676162 -14.31382160 17.01970998
-0.00031038 -0.00065814 0.00016378
-0.01212125 -0.00256576 -0.00533882
1.68224882 -12.03327893 18.17032059
0.00057084 0.00039806 0.00059967
-0.00365927 0.00012852 -0.00153036
-4.21342412 -2.13337085 -13.45978453
0.00044700 -0.00002677 -0.00044568
-0.00289693 0.02721571 -0.01862393
-3.09027155 -0.70504070 -15.91238298
0.00079003 0.00089137 -0.00054043
-0.01256263 -0.00446668 0.00610340
14.68726123 -8.24511562 -10.97407886
-0.00137724 0.00113083 -0.00012772
0.00035260 -0.00871092 0.02091361
15.88603853 -6.61888287 -8.97137437
-0.00050426 -0.00040843 -0.00106124
0.01345026 0.01090354 0.00309909
7.34468378 -5.78305948 9.14566708
0.00038545 -0.00077747 0.00062242
-0.01736394 0.01364175 0.00483558
9.34618069 -5.44270764 7.09029695
0.00002902 -0.00084239 0.00048368
-0.00278171 -0.01552502 0.01545976
-20.83729723 2.38271523 20.88260844
-0.00048793 -0.00029874 0.00047260
0.00378345 -0.01165501 -0.03679390
-21.86142451 0.57034677 23.14675617
0.00043113 -0.00032708 0.00054575
-0.00081612 0.00689545 -0.01029017
26.37236789 -2.84890158 -5.99030070
-0.00011583 -0.00022349 -0.00049814
0.00397932 0.00171384 -0.00244471
25.28954397 -1.45319593 -8.20896555
-0.00052839 -0.00001162 0.00026857
-0.00238418 0.01443643 -0.00546943
9.12452199 -15.83252669 -7.61340823
-0.00029232 0.00075306 0.00010503
-0.00268516 -0.00075298 -0.00061118
8.62115024 -12.92621928 -7.10725135
-0.00004701 0.00005994 -0.00033691
-0.01014143 0.00889556 0.00944392
-5.43624213 -10.86581204 17.87714208
-0.00069228 -0.00089083 -0.00009031
-0.00694471 -0.01323738 -0.00871730
-6.95605981 -11.01396014 15.43051414
-0.00110897 -0.00081887 0.00072466
0.00016695 0.00418586 -0.01250931
9.70557781 2.28476642 -29.65775292
-0.00130343 -0.00089713 0.00108993
-0.02606025 0.01113122 -0.00802375
6.90088473 3.02834480 -30.65413797
-0.00047152 0.00113896 -0.00036133
-0.01362655 -0.01553541 -0.00748715
12.50953584 14.70226384 14.65843301
0.00020995 0.00047068 0.00074447
0.00322339 0.00357500 -0.01511644
11.32715180 16.22526847 16.95861876
0.00016753 -0.00063029 0.00003916
-0.01148767 -0.01411098 -0.03859620
28.87318595 5.07708428 -4.48998263
0.00035578 0.00008658 0.00001922
0.00445163 -0.00664569 -0.00653076
26.79052545 6.70016683 -3.35740041
-0.00022984 -0.00060193 -0.00120751
-0.00652900 0.00555729 -0.00085716
-9.97284359 4.92341910 6.95341323
0.00002959 -0.00004031 -0.00014114
0.00207265 -0.01100095 -0.01038735
-8.66086671 13.23277870 2.57712150
-0.00004547 0.00008204 0.00005359
0.00221485 -0.00100018 -0.00736461
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09414858
0.34495877
459.64026869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3737291809 (a.u.)
total exchange computation time: 2.5981428623 s
-154.1398712868
-931.43851514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3735776789 (a.u.)
total exchange computation time: 2.6004168987 s
-154.1419676638
Anderson extrapolation: theta=1.3476811564 (1.3476811564)
-931.43871913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3732745999 (a.u.)
total exchange computation time: 2.5976850986 s
-154.1455886589
Anderson extrapolation: theta=0.0524402271 (0.0524402271)
-931.43884080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3731783768 (a.u.)
total exchange computation time: 2.5984709263 s
-154.1464602895
Anderson extrapolation: theta=1.9133574168 (1.9133574168)
-931.43884538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3729661462 (a.u.)
total exchange computation time: 2.5986571312 s
-154.1483133890
Anderson extrapolation: theta=0.2266922736 (0.2266922736)
-931.43885026
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3729077054 (a.u.)
total exchange computation time: 2.5978999138 s
-154.1487696512
Anderson extrapolation: theta=1.8435162288 (1.8435162288)
-931.43885127
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3728163729 (a.u.)
total exchange computation time: 2.5977511406 s
-154.1494311217
Anderson extrapolation: theta=0.2964856460 (0.2964856460)
-931.43885262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3728069354 (a.u.)
total exchange computation time: 2.6004040241 s
-154.1494490384
Anderson extrapolation: theta=1.2712615212 (1.2712615212)
-931.43885301
-71.842424 22.822748 143.458006
559.420733 1032.227243 -412.436636
487.578309 1055.049992 -268.978630
1192.984743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3728086233 (a.u.)
total exchange computation time: 2.5980119705 s
679.03905745
-1083.61319146
89.64529828
-389.27986804
-174.85734098
78.16310900
551.60419304
0.00000000
-931.43885337
3.90513250 -30.78586716 -2.28104472
0.00000846 0.00026741 0.00001699
0.00145525 -0.01873468 0.00499656
-11.82925824 -2.16627014 -9.13958066
0.00034924 0.00021047 -0.00010547
-0.00610327 0.00957621 -0.01158970
-37.43183761 2.43032322 -0.08472342
-0.00017348 0.00026081 0.00015580
0.02222874 -0.02218250 -0.00293873
-11.51419238 -3.96194064 3.85691205
-0.00020525 -0.00025019 -0.00011255
0.02071642 0.01320337 -0.00308653
4.64051566 -3.87009091 9.50510820
-0.00037351 -0.00004967 -0.00027410
0.00976483 0.03500713 0.00296711
-31.90497085 -1.00199521 -0.65830137
0.00018027 0.00040947 0.00011914
-0.02163577 0.01832537 0.00400395
14.98942965 12.58381467 -14.05689111
-0.00034909 0.00000994 0.00030571
0.04661208 -0.01683785 0.01622834
-7.72078930 5.84290407 2.43929267
0.00008672 0.00019628 0.00005776
-0.00155003 0.01023868 0.02974608
7.44192678 12.54921619 -5.56111721
0.00027235 0.00012347 -0.00016341
-0.01310123 -0.00266264 -0.01976653
8.92638622 9.81359028 -19.06264656
-0.00009832 0.00013059 0.00013790
0.00469190 -0.01973530 -0.02477620
23.26088369 17.38940864 -2.11718313
0.00020562 -0.00018188 0.00000719
0.00129445 0.01541012 -0.00097787
2.23215704 16.90844384 -19.18403126
0.00027256 -0.00012636 -0.00032020
-0.01329702 0.02312989 -0.00904434
14.09391740 -1.45245101 -5.32880514
0.00000443 0.00024739 -0.00016200
-0.01989059 0.00587880 0.00396868
-16.11087092 -1.84869061 3.28985571
0.00007131 0.00027267 -0.00029771
-0.03197316 0.00865186 0.01603416
-17.00739769 -1.73489839 19.42463196
0.00014444 -0.00012479 -0.00029100
0.02115296 -0.01428336 -0.00803864
0.25219783 2.15191406 -5.14736521
0.00012434 -0.00015217 0.00027137
0.01231624 -0.03134889 -0.00386161
22.31933815 -7.16782566 -8.97908075
0.00040609 -0.00012827 0.00006600
0.01375375 -0.00951182 0.00350035
-0.45151982 -6.43280656 7.23857024
-0.00016604 0.00006547 0.00003377
-0.02253366 -0.01829394 0.01365919
-1.88469285 -1.50977188 -19.27814212
0.00014361 0.00023172 -0.00008252
-0.02809628 0.04747997 -0.01934486
3.36517717 2.25521840 -9.28418086
-0.00007399 -0.00022280 0.00007356
0.00404874 -0.00260466 -0.02725032
-3.68623658 18.05123718 12.12657210
-0.00017494 -0.00023657 0.00027968
0.01004825 -0.01077648 0.00484164
-3.70349135 4.98739512 -11.34970724
-0.00029305 -0.00001987 0.00044175
-0.00266124 0.00997796 0.03678107
-8.17176843 3.26097562 -8.96987439
0.00020080 -0.00026159 -0.00012702
-0.04251666 -0.03143670 0.04200954
1.90132846 27.30042007 8.44512227
0.00044078 0.00019385 0.00014805
0.02381741 0.00084907 -0.02583444
10.06223060 -6.19033633 -2.00602701
-0.00030977 0.00000087 0.00006898
-0.00108098 0.01016479 -0.00029741
-8.80231955 0.57288648 5.87887785
0.00012738 0.00039025 0.00008407
-0.03804652 -0.00686378 0.00585000
20.45247167 10.67165533 8.79917834
-0.00022689 -0.00003076 0.00016008
0.01918250 0.01849024 0.02083936
-2.76308598 -2.15644505 -27.17780495
0.00037090 -0.00001863 0.00009487
0.01256958 -0.01136720 0.02074395
-14.29482881 6.06255662 7.44785395
-0.00003316 0.00010526 0.00026165
0.00399860 -0.01112763 -0.00465833
-9.91295848 7.18052233 -2.67232711
0.00036776 0.00019885 0.00001322
0.00530792 -0.00339352 -0.00430866
-1.70494112 -15.81352272 24.05835500
-0.00011147 0.00015940 -0.00053789
0.07900203 0.00423528 -0.01798336
-2.59193742 6.38071358 -6.44848296
-0.00010125 -0.00011893 0.00016892
0.02540999 -0.00880928 0.01956385
-20.35518859 31.10338806 4.58982474
0.00049578 -0.00009917 -0.00033415
-0.02005800 -0.00203479 -0.02674243
7.56735219 0.02344401 8.09863742
0.00003766 0.00011645 -0.00010658
0.00532798 -0.01837465 -0.00386228
5.50586334 11.26565725 -13.91681451
0.00023982 0.00011599 0.00016572
-0.03952776 0.01965321 -0.02157873
15.84932118 3.18424329 -1.96476313
-0.00036164 -0.00032503 -0.00003035
-0.01097460 -0.02635489 0.00068052
-4.10478392 13.62333018 -1.20868292
-0.00027927 -0.00006012 0.00052873
0.00563734 -0.00818558 -0.00107643
4.56396104 12.73322313 3.30742756
-0.00015340 -0.00053720 -0.00008431
-0.02401751 -0.02167002 -0.00319995
24.80634733 -11.81473773 -9.47868180
0.00008852 0.00016103 -0.00023968
0.02482132 0.01536051 -0.04002474
16.40677387 -3.94451520 -0.36450522
0.00004968 0.00008052 -0.00013115
0.02721999 -0.00448409 0.00068992
12.93377971 7.86933617 9.84748308
0.00016955 -0.00000563 0.00011745
-0.02257756 0.03131264 0.01711564
1.73187338 -13.79087874 17.69266190
-0.00039401 -0.00019261 -0.00009099
0.02272312 0.00527316 0.01032737
-4.43011823 -0.62417805 -14.60844423
0.00001738 -0.00027122 0.00044252
0.03063447 -0.01913896 0.00961117
14.98513275 -8.18438503 -9.08168898
0.00033368 0.00044405 0.00035664
-0.01236470 -0.01397959 -0.03237755
8.86102644 -6.55224395 8.52927948
-0.00045455 -0.00029205 0.00015260
0.02382267 -0.00486839 -0.01870193
-21.34932204 2.25128306 22.56607474
0.00002343 0.00008777 0.00016825
-0.00797422 0.00300975 0.05302360
25.85310073 -3.11096706 -7.74649956
-0.00005598 -0.00027472 -0.00037303
-0.00395346 -0.00931013 0.01087430
9.83258262 -14.13137767 -7.66124178
-0.00004282 -0.00016635 -0.00025828
0.01976223 0.00518432 -0.01677112
-6.25692446 -12.09632108 16.71646885
-0.00042616 -0.00031922 0.00019246
0.01069875 0.00566448 0.02531306
8.23486043 3.44301245 -29.51025176
0.00004681 0.00001577 0.00021941
0.02441293 -0.00562055 0.01302735
10.96117858 15.64861668 15.12544366
-0.00029598 -0.00027957 0.00018318
0.00275405 0.00565427 0.05893884
28.48379211 6.06613953 -3.01983035
0.00032388 -0.00019001 -0.00003759
-0.00816809 0.01563845 -0.00257235
5.29143686 -31.37201228 -3.37192234
0.00029626 0.00041880 -0.00015715
0.00107989 0.00145058 0.00302764
4.07594709 -31.58842631 -0.62915321
-0.00072095 -0.00063195 -0.00002849
0.00227428 0.00602887 -0.00348017
-11.69882338 -3.90778042 -8.47051735
0.00032606 0.00080415 -0.00013544
-0.00631914 0.00292413 -0.01429626
-12.60916946 -2.17260504 -10.83516761
-0.00027101 0.00029888 0.00028326
0.01097517 -0.00435643 0.02192651
-38.79632368 2.15120421 1.02670815
-0.00011138 0.00022273 -0.00070667
-0.01541308 -0.00802785 0.01797622
-37.76902539 4.00607474 -0.92667593
0.00024645 -0.00041357 0.00040813
-0.00325088 0.01663912 -0.00953864
-10.83322756 -5.60091295 3.41458018
-0.00035779 0.00081186 0.00068616
0.00123347 -0.01325723 0.00118563
-9.99451290 -2.90384375 3.61702632
-0.00080446 0.00023865 -0.00007648
-0.01592036 -0.00126918 0.00551304
5.51364708 -2.22717900 8.94015524
-0.00047838 -0.00052244 -0.00104425
-0.01389730 -0.03128377 0.01037977
4.38677956 -3.49666074 11.31554609
0.00090340 0.00012223 -0.00032108
0.00326195 -0.01086576 -0.01148556
-33.34055168 -2.15224497 -0.76643930
0.00016990 0.00061503 -0.00033948
0.00050537 0.01053936 0.00601896
-32.52649631 0.65044009 -0.04586679
-0.00045734 0.00080371 0.00144367
-0.00148971 -0.02176699 -0.00248335
14.90661002 12.95702955 -15.84160865
-0.00056764 -0.00015185 -0.00134323
-0.00749081 0.00532762 -0.00815691
16.81496375 11.98639001 -13.82452756
-0.00127610 0.00002429 0.00092324
-0.04009151 0.00901285 -0.00175952
-8.40364207 7.08191043 1.32292390
-0.00031971 -0.00061078 0.00011335
-0.00451259 0.00685815 -0.00769381
-7.11741367 4.57968156 1.31412427
-0.00127364 0.00089161 0.00058667
0.00640393 -0.01704270 -0.01693080
6.06658173 12.50883894 -6.82022472
-0.00050515 -0.00059682 -0.00004603
0.01541733 0.00136460 0.00882540
8.81786775 13.65776221 -6.28540199
0.00106689 0.00020890 -0.00089846
-0.00639414 -0.00070354 -0.00121872
8.93101554 9.04268095 -20.76044717
-0.00041019 -0.00022649 0.00054709
-0.00943571 0.00474569 0.01432919
10.72275800 10.20068150 -18.98266993
-0.00078510 0.00098800 -0.00091664
0.00069677 0.01288520 0.00843290
24.24188236 15.85247799 -2.64340729
-0.00015376 -0.00114474 -0.00060640
-0.00473264 0.01707789 0.00798836
24.41894097 18.86306425 -2.27047479
0.00127612 -0.00118649 -0.00049584
-0.00312344 -0.01753696 -0.00094388
1.86598835 17.34984898 -20.97446061
-0.00125871 -0.00054101 -0.00153610
-0.00088886 -0.01057888 0.00915081
3.04447340 15.25893771 -19.15541385
-0.00141985 -0.00035516 0.00026095
0.00975710 -0.00644790 -0.00179189
13.01774478 -1.70301803 -6.78881331
-0.00077943 0.00203491 0.00006354
0.00295492 0.00095541 -0.01182664
12.84123579 -1.01879730 -4.01692975
0.00017452 -0.00067261 0.00035446
0.01743136 -0.00469996 -0.00372822
-17.56934515 -3.07876587 3.56218160
-0.00007015 0.00079998 -0.00027767
0.03471527 0.01056803 -0.00927719
-14.45485787 -2.59066545 3.09247787
0.00010903 0.00099557 0.00102017
-0.00299022 -0.01530305 0.00250671
-16.37298264 -0.01355883 19.87299782
0.00068953 -0.00034985 -0.00050352
0.00221220 -0.01652028 0.00612524
-15.60191204 -2.99490465 19.54508372
0.00022693 -0.00062759 -0.00070776
-0.02055221 0.02830853 0.00448770
-0.77132008 0.55946462 -5.04723431
0.00022963 -0.00041546 -0.00064760
0.00004013 0.02091877 0.00035239
-0.82488376 3.54473643 -4.78332276
0.00073288 0.00007001 -0.00020266
-0.01776918 0.01060422 -0.00066406
23.35906625 -8.65644523 -9.21245744
-0.00025374 0.00058965 -0.00020608
-0.01293767 -0.01568189 -0.00327218
23.64340201 -6.09962526 -8.36048915
-0.00012929 0.00028975 -0.00050552
0.00196176 0.02575619 0.00622394
0.55938606 -5.98518221 5.80018662
-0.00019609 0.00000875 -0.00021450
0.00822390 0.01366268 -0.00190224
-0.45119840 -5.21046414 8.59039328
0.00021804 0.00023337 -0.00020965
0.01078548 0.00049996 -0.00741717
-1.04100418 -2.91359634 -18.68540636
-0.00022160 -0.00006080 -0.00013810
0.01940275 -0.04510520 0.01033742
-3.34623268 -2.01268952 -20.31532366
0.00106184 -0.00019557 -0.00026279
0.00817910 -0.00602393 0.00684205
2.93170188 2.59896235 -11.08176107
-0.00063091 -0.00095060 -0.00070675
-0.00001395 0.00125527 0.02395917
1.87554610 2.38545561 -8.20544181
-0.00060367 0.00078257 -0.00004431
-0.00152099 0.00482660 0.00477479
-2.34116496 16.84994385 12.70791577
-0.00044021 0.00051799 0.00022320
-0.01196616 0.00512490 -0.01432733
-3.60053166 19.24098220 13.50329005
0.00066326 -0.00030795 -0.00096417
-0.00366934 0.00706145 0.00595260
-4.24544527 6.28118570 -12.46481768
-0.00124634 0.00137024 0.00012056
-0.00107249 0.00516500 -0.01674264
-2.98462090 3.53953543 -12.07716946
0.00081060 -0.00061592 -0.00001482
0.00154039 -0.01924161 -0.02478465
-7.66352325 2.28594974 -7.46444710
-0.00013644 -0.00003358 0.00012057
-0.00686863 0.00539700 -0.01559335
-6.65930972 3.84566107 -9.58658298
0.00082690 -0.00068419 0.00081923
0.04582720 0.02151095 -0.02463462
1.94935283 28.23388731 6.80133666
0.00026354 -0.00003424 0.00048506
-0.00067180 -0.00823320 0.02416695
0.25781155 27.50562059 9.08072873
0.00070706 0.00023697 -0.00007331
-0.02300461 0.00912649 0.00626719
10.90041508 -6.74011042 -0.47535359
0.00003101 -0.00093360 0.00029660
0.00364266 -0.00744902 0.00296703
8.83242673 -7.47715503 -2.39602331
-0.00045768 0.00019523 -0.00098887
-0.00057256 -0.00186353 0.00122864
-7.05765722 0.20288636 6.32254094
0.00043837 0.00022869 -0.00022265
0.00712164 -0.00905482 0.00954373
-9.88141329 -0.56402010 6.92087420
0.00069526 -0.00135189 0.00029470
0.01905573 0.01878444 -0.01387773
21.57529707 10.41741434 10.29541929
0.00057041 -0.00044425 -0.00069900
-0.01520154 -0.00637428 -0.01624616
20.71567171 12.51573711 8.61136823
0.00072054 0.00068390 -0.00051048
-0.00189289 -0.00692220 -0.00918581
-1.61914768 -3.11876144 -26.01510488
-0.00003884 -0.00037557 -0.00104970
-0.01177823 0.00439006 -0.01701397
-4.41666089 -2.29519298 -26.36398021
0.00113254 0.00019336 -0.00119702
0.00635201 0.00400362 -0.00500400
-14.42547183 7.08422376 8.94552892
0.00045790 0.00023097 0.00016317
-0.00439976 0.00694905 -0.00749305
-14.58826302 7.12907503 5.97911271
-0.00114339 0.00019049 0.00087758
-0.00098531 0.00424704 0.00989137
-11.23881241 6.61524139 -3.82417857
0.00011767 -0.00006286 0.00090937
0.01045646 0.01428985 0.00412031
-8.70517365 8.21080073 -3.65910311
0.00015212 0.00021464 0.00052066
-0.01258983 -0.00561871 -0.00062322
-1.11631852 -17.49362951 23.48477186
0.00054127 -0.00023762 -0.00030847
-0.00567142 0.00423316 0.00211362
-3.36122008 -15.76407695 24.48488129
-0.00089944 0.00078004 0.00032965
-0.06813692 -0.00379366 0.01489456
-3.17545168 5.61683401 -7.95472715
0.00063489 -0.00014064 -0.00019031
-0.00216626 -0.00672758 -0.02317529
-3.74050046 7.70597100 -6.12371530
0.00056624 0.00012373 -0.00032873
-0.02499320 0.02135067 0.00645871
-21.43973546 30.29905015 3.18191695
0.00131464 0.00103393 -0.00079135
0.00728938 0.00822622 0.02546627
-21.46609732 32.37622238 5.35329419
0.00031953 0.00051043 0.00025572
-0.00084876 -0.01623336 0.00325967
6.95475763 -0.37563873 6.35408750
-0.00000821 -0.00015849 -0.00096266
0.00146676 0.01625828 0.00686805
7.19735956 1.68293759 8.72603097
0.00082137 0.00016390 -0.00041424
-0.00623172 0.00627368 -0.01549300
6.61494300 12.59894046 -13.37647163
-0.00007225 0.00073060 -0.00069983
0.01410330 0.00871708 -0.00193843
4.41214325 12.22276783 -15.23029643
-0.00060832 0.00035084 -0.00015752
0.03068832 -0.02605140 0.03579731
14.51715946 4.19394177 -2.75280166
-0.00007356 -0.00110661 -0.00083767
0.00335019 -0.00077743 0.00451556
15.28363902 1.39092479 -2.07152720
-0.00064756 -0.00065389 0.00036736
0.01103713 0.02834643 -0.00120406
-2.43538198 13.47426338 -0.46774010
-0.00002518 0.00027545 -0.00039703
-0.00710702 -0.00115586 -0.00208180
-5.33548924 13.13675459 0.09304603
-0.00017100 -0.00035841 -0.00026610
0.00125341 -0.00103197 0.00204173
3.70506697 11.02624086 3.63802395
0.00080044 0.00077192 -0.00049575
0.00516762 0.01470972 -0.00610443
6.30206780 12.38941000 3.61920651
0.00044554 -0.00028270 0.00021674
0.02285403 -0.00379572 -0.00166216
25.14561583 -13.44786016 -8.77099283
0.00070543 0.00063950 0.00002680
-0.00171217 -0.00371532 0.00423612
25.91214399 -11.62982256 -11.07893869
0.00065924 0.00011853 0.00102671
-0.01918755 -0.00716464 0.02480973
14.68421748 -3.94781593 -0.90332152
-0.00038404 -0.00052194 -0.00035549
0.00169049 -0.00079469 -0.00060058
17.23673097 -5.58400999 -0.80441354
-0.00027276 0.00087573 0.00002698
-0.01522831 0.01399831 0.00187861
11.78612697 8.06408072 11.33781046
-0.00011385 0.00044934 0.00107950
0.01585981 -0.01149005 -0.00757549
12.81055903 9.60265474 9.15958826
-0.00004199 -0.00001546 0.00030552
0.01375515 -0.01257515 0.00012847
0.13173446 -14.32377225 17.02200315
-0.00036087 -0.00066665 0.00014214
-0.01259287 -0.00159994 -0.00525511
1.69069925 -12.02730402 18.17926882
0.00055415 0.00038700 0.00058961
-0.00450738 -0.00554707 -0.00339878
-4.20680784 -2.13293838 -13.46704047
0.00043603 0.00007788 -0.00051704
-0.00247670 0.02400887 -0.01630619
-3.07880611 -0.69180709 -15.92030233
0.00072784 0.00087255 -0.00050483
-0.01788023 -0.00474575 0.01132038
14.66661340 -8.22842009 -10.97535381
-0.00137403 0.00109303 -0.00003543
0.00121794 -0.00979236 0.02426129
15.87888682 -6.62467520 -8.98719803
-0.00043872 -0.00034649 -0.00104505
0.01863195 0.01941847 0.00482851
7.34993347 -5.79430346 9.15515148
0.00030577 -0.00071617 0.00064475
-0.02163962 0.01636606 0.00609995
9.34653081 -5.45581927 7.09802588
0.00001777 -0.00090148 0.00054261
-0.00272813 -0.01339962 0.01338681
-20.84450031 2.37787699 20.88856996
-0.00047015 -0.00034564 0.00031436
0.00492400 -0.01130208 -0.04066343
-21.85498260 0.56565186 23.15462716
0.00042873 -0.00029377 0.00050226
-0.00035885 0.00941130 -0.01100118
26.37075232 -2.85220145 -5.99784775
-0.00009873 -0.00021696 -0.00050634
0.00439353 0.00148334 -0.00156834
25.28154503 -1.45292789 -8.20510459
-0.00053699 0.00004383 0.00024624
-0.00182613 0.01270916 -0.00546377
9.12005487 -15.82125384 -7.61185149
-0.00030579 0.00073998 0.00010269
-0.00390902 -0.00565176 -0.00053399
8.62013440 -12.92504757 -7.11201560
-0.00008606 0.00009529 -0.00029908
-0.00897610 0.00840728 0.00907558
-5.44683916 -10.87958005 17.87552027
-0.00071679 -0.00093860 -0.00012084
-0.00505145 -0.01014876 -0.00622774
-6.97268928 -11.02611495 15.44100078
-0.00111018 -0.00079834 0.00066997
-0.00075679 0.00586247 -0.01426613
9.68522787 2.27165051 -29.64164981
-0.00140373 -0.00085576 0.00105561
-0.02303915 0.00912009 -0.00877868
6.89339435 3.04495317 -30.65978730
-0.00052058 0.00107676 -0.00038625
-0.01038752 -0.01491046 -0.00471537
12.51278388 14.70943360 14.66913690
0.00022411 0.00048386 0.00068074
0.00370580 0.00287645 -0.01608248
11.32931266 16.21538168 16.95802347
0.00011926 -0.00068580 -0.00011577
-0.01213762 -0.01306041 -0.03724229
28.87865910 5.07817941 -4.48989438
0.00037601 0.00005711 -0.00000943
0.00545157 -0.00778414 -0.00749833
26.78687771 6.69130810 -3.37553940
-0.00024896 -0.00058121 -0.00120779
-0.00282783 0.00458769 0.00072055
-9.97239413 4.92278497 6.95126831
0.00003032 -0.00004420 -0.00014480
0.00199247 -0.01074157 -0.01008256
-8.66154497 13.23400763 2.57791259
-0.00004497 0.00008181 0.00005190
0.00211326 -0.00103343 -0.00723255
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09414719
0.34470618
459.30370429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3767808242 (a.u.)
total exchange computation time: 2.5871279240 s
-154.1501330421
-931.43710316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3766313824 (a.u.)
total exchange computation time: 2.5881679058 s
-154.1522543218
Anderson extrapolation: theta=1.3421517901 (1.3421517901)
-931.43730320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3763359550 (a.u.)
total exchange computation time: 2.5881750584 s
-154.1558496427
Anderson extrapolation: theta=0.0502984249 (0.0502984249)
-931.43742136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3762438761 (a.u.)
total exchange computation time: 2.5879738331 s
-154.1566733067
Anderson extrapolation: theta=1.8523579725 (1.8523579725)
-931.43742541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3760452289 (a.u.)
total exchange computation time: 2.5908980370 s
-154.1583798958
Anderson extrapolation: theta=0.2139174325 (0.2139174325)
-931.43742932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3759913280 (a.u.)
total exchange computation time: 2.5881149769 s
-154.1587878446
Anderson extrapolation: theta=1.8440198747 (1.8440198747)
-931.43743002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3759060701 (a.u.)
total exchange computation time: 2.5880031586 s
-154.1593799509
Anderson extrapolation: theta=0.2949102445 (0.2949102445)
-931.43743088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3758965749 (a.u.)
total exchange computation time: 2.5876748562 s
-154.1593931421
Anderson extrapolation: theta=1.2907098906 (1.2907098906)
-931.43743112
-71.841193 22.887506 143.371203
559.410545 1032.233299 -412.466349
487.569352 1055.120806 -269.095146
1193.069983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3758968261 (a.u.)
total exchange computation time: 2.5880858898 s
679.08518789
-1083.71541326
89.64372222
-389.21012111
-174.86491023
78.21884707
551.60419304
0.00000000
-931.43743132
3.90526509 -30.78192831 -2.28077066
0.00000952 0.00025736 0.00001966
0.00265574 -0.02035477 0.00539801
-11.82404315 -2.16307617 -9.14120735
0.00034612 0.00021610 -0.00011146
-0.00604242 0.01233371 -0.01174029
-37.43435409 2.43414981 -0.08239779
-0.00016084 0.00024838 0.00015424
0.02693337 -0.02615982 -0.00311544
-11.51719116 -3.96564252 3.85521187
-0.00019574 -0.00024149 -0.00011346
0.01625729 0.02061240 -0.00043222
4.63495067 -3.87070090 9.50100822
-0.00036848 -0.00003205 -0.00027288
0.00978603 0.03351978 0.00175316
-31.90235027 -0.99578252 -0.65649889
0.00016868 0.00042036 0.00012184
-0.02341241 0.02401719 0.00652011
14.98437316 12.58389886 -14.05224279
-0.00032659 0.00000230 0.00031121
0.04088722 -0.01287808 0.00514318
-7.71949455 5.84588783 2.44027378
0.00008535 0.00020285 0.00007500
-0.00374695 0.01528918 0.03730251
7.44596144 12.55105789 -5.56364459
0.00026563 0.00012248 -0.00017427
-0.01301788 -0.00117115 -0.02248740
8.92492949 9.81547298 -19.06067359
-0.00009681 0.00012046 0.00012543
0.00119093 -0.01966356 -0.02372882
23.26397295 17.38673991 -2.11707906
0.00020675 -0.00017495 0.00000641
0.00311022 0.01153301 -0.00204656
2.23619421 16.90663764 -19.18886921
0.00026479 -0.00011326 -0.00032649
-0.01691946 0.02780679 -0.01538506
14.09390720 -1.44871748 -5.33121989
-0.00000601 0.00025036 -0.00016001
-0.02071931 0.00565477 0.00377264
-16.10992466 -1.84456726 3.28545188
0.00005446 0.00027791 -0.00028937
-0.03352011 0.01175421 0.01640357
-17.00514948 -1.73682540 19.42023593
0.00015569 -0.00013259 -0.00029513
0.02259428 -0.01603035 -0.00802365
0.25411042 2.14951061 -5.14330954
0.00013111 -0.00016875 0.00026913
0.01402717 -0.03312759 -0.00487408
22.32548250 -7.16978635 -8.97807724
0.00041162 -0.00013202 0.00006779
0.00778002 -0.00507557 0.00346756
-0.45409736 -6.43189512 7.23912941
-0.00017738 0.00005610 0.00004036
-0.02156746 -0.01814824 0.01199215
-1.88264705 -1.50611294 -19.27945457
0.00013008 0.00025578 -0.00009182
-0.02451645 0.04609693 -0.01681547
3.36408301 2.25186631 -9.28318258
-0.00007296 -0.00022391 0.00005892
-0.00006937 -0.00169736 -0.02966880
-3.68882194 18.04764713 12.13078604
-0.00017034 -0.00024263 0.00028060
0.00783184 -0.01280558 -0.00127122
-3.70789744 4.98713552 -11.34293905
-0.00029429 -0.00001464 0.00045780
-0.00216203 0.01037144 0.02561887
-8.16892041 3.25693054 -8.97161769
0.00017946 -0.00027750 -0.00010571
-0.04046618 -0.03043731 0.04088907
1.90803207 27.30333103 8.44724338
0.00045349 0.00019388 0.00013515
0.02559364 -0.00073301 -0.02433326
10.05757984 -6.19028407 -2.00499347
-0.00030996 0.00000557 0.00006966
0.00036303 0.00810917 0.00293596
-8.80055554 0.57871376 5.88016149
0.00010773 0.00038563 0.00008791
-0.03839836 -0.01111524 0.00906252
20.44914238 10.67126522 8.80165994
-0.00021686 -0.00001994 0.00017025
0.01979083 0.02360388 0.01869306
-2.75747406 -2.15676832 -27.17630183
0.00037879 -0.00002375 0.00010359
0.01811140 -0.00853521 0.01314427
-14.29531083 6.06409262 7.45176075
-0.00003106 0.00009936 0.00025957
0.00417211 -0.01180943 -0.00344064
-9.90742167 7.18349200 -2.67214542
0.00037035 0.00019688 0.00001198
0.00477863 -0.00427278 -0.00052789
-1.70630838 -15.81111535 24.05021728
-0.00007371 0.00016124 -0.00054660
0.06780235 0.00289757 -0.01588056
-2.59335821 6.37889567 -6.44587374
-0.00008783 -0.00012406 0.00017874
0.02680555 -0.01113998 0.01865475
-20.34782921 31.10189265 4.58470929
0.00048504 -0.00009914 -0.00034683
-0.02171432 0.00216007 -0.02255071
7.56793766 0.02511985 8.09702377
0.00004012 0.00010624 -0.00010983
0.00421766 -0.02133211 -0.00878075
5.50930824 11.26747285 -13.91441200
0.00021908 0.00012661 0.00015403
-0.04115925 0.02167692 -0.02387336
15.84385421 3.17926621 -1.96521577
-0.00036720 -0.00033936 -0.00002987
-0.01062786 -0.02936796 0.00119098
-4.10895125 13.62239685 -1.20075614
-0.00027607 -0.00006403 0.00052707
0.00679982 -0.00704910 -0.00535657
4.56156745 12.72508155 3.30615052
-0.00016357 -0.00054675 -0.00008609
-0.01552383 -0.01546255 -0.00369619
24.80777083 -11.81226307 -9.48243135
0.00010091 0.00016904 -0.00025960
0.02335559 0.01579559 -0.03744646
16.40762401 -3.94332475 -0.36646982
0.00006203 0.00007929 -0.00013084
0.02081256 -0.00028130 0.00051828
12.93623592 7.86937258 9.84931085
0.00015712 0.00001047 0.00012743
-0.02576223 0.03129124 0.02169096
1.72605091 -13.79374762 17.69133683
-0.00038202 -0.00018882 -0.00008531
0.02387999 0.00948342 0.01178058
-4.42973935 -0.62832025 -14.60176931
0.00003417 -0.00027995 0.00044546
0.03466285 -0.01478408 0.00181340
14.99009025 -8.17777819 -9.07646421
0.00032578 0.00043501 0.00033893
-0.01836177 -0.02118894 -0.03652193
8.85430002 -6.55664347 8.53149630
-0.00044144 -0.00029575 0.00014336
0.02715709 -0.00951241 -0.01720683
-21.34900141 2.25261119 22.56880303
0.00001912 0.00008873 0.00019618
-0.00877727 0.00072608 0.05557873
25.85224583 -3.11512374 -7.75205303
-0.00005826 -0.00027886 -0.00036773
-0.00492256 -0.00678799 0.00973534
9.83201661 -14.13385294 -7.66518066
-0.00003262 -0.00016216 -0.00026678
0.01987851 0.01112272 -0.01629997
-6.26327554 -12.10108746 16.71945333
-0.00042097 -0.00031750 0.00020507
0.00947549 0.00098810 0.02374497
8.23565674 3.44322730 -29.50691039
0.00005743 0.00001331 0.00022546
0.01688654 -0.00395836 0.01050846
10.95674946 15.64444496 15.12841877
-0.00029447 -0.00027685 0.00021308
0.00312142 0.00491127 0.05732894
28.48861875 6.06334971 -3.02040419
0.00031846 -0.00018140 -0.00003918
-0.01291489 0.01784938 -0.00358462
5.29591392 -31.36568577 -3.37418686
0.00029864 0.00042528 -0.00014299
0.00008303 0.00171801 0.00390434
4.06520245 -31.59772086 -0.62968723
-0.00071131 -0.00060527 -0.00004620
0.00244919 0.00703268 -0.00518884
-11.69412605 -3.89562850 -8.47298698
0.00030042 0.00081008 -0.00019146
-0.00623560 -0.00002172 -0.01312853
-12.61289837 -2.16825529 -10.83024675
-0.00022684 0.00028137 0.00037084
0.01064778 -0.00421702 0.02094206
-38.79846663 2.15429919 1.01665893
-0.00018193 0.00018819 -0.00062722
-0.01912331 -0.00888077 0.02091446
-37.76542828 4.00038110 -0.92084620
0.00023131 -0.00033616 0.00036388
-0.00416162 0.02125398 -0.01212431
-10.83855654 -5.58914135 3.42490894
-0.00034632 0.00074189 0.00068633
0.00438044 -0.02098978 -0.00110096
-10.00706761 -2.90030286 3.61604813
-0.00086657 0.00023479 -0.00005459
-0.01448394 -0.00062237 0.00519911
5.50604557 -2.23597429 8.92480954
-0.00053420 -0.00064769 -0.00100176
-0.01342920 -0.03002513 0.01042176
4.40043045 -3.49516017 11.31037798
0.00091545 0.00007888 -0.00036520
0.00263858 -0.01035662 -0.01011093
-33.33798771 -2.14269655 -0.77134704
0.00017052 0.00065634 -0.00031482
-0.00019967 0.00968095 0.00605028
-32.53340199 0.66182876 -0.02428787
-0.00045859 0.00070418 0.00142835
0.00087681 -0.02695453 -0.00501502
14.89786591 12.95491501 -15.86200706
-0.00059611 -0.00013534 -0.00135371
-0.00644761 0.00275452 0.00302805
16.79459377 11.98703055 -13.81073294
-0.00143063 0.00005892 0.00091567
-0.03555481 0.00794073 -0.00194344
-8.40857601 7.07295882 1.32438835
-0.00034147 -0.00057655 0.00007849
-0.00613661 0.00989904 -0.00936932
-7.13632203 4.59253345 1.32240555
-0.00123946 0.00080548 0.00050529
0.01032674 -0.02511843 -0.02290471
6.05947688 12.49992852 -6.82064467
-0.00043675 -0.00059016 -0.00000638
0.01806560 0.00189390 0.01057900
8.83367521 13.66087419 -6.29891624
0.00103446 0.00020230 -0.00090090
-0.00948135 -0.00252780 0.00002674
8.92457352 9.03942901 -20.75180173
-0.00044933 -0.00020872 0.00060230
-0.00972033 0.00395351 0.01269814
10.71100283 10.21589631 -18.99616105
-0.00077429 0.00104232 -0.00088101
0.00459540 0.01370503 0.00900597
24.23943094 15.83583014 -2.65225845
-0.00017678 -0.00106938 -0.00057072
-0.00653348 0.01981292 0.00947716
24.43798699 18.84472958 -2.27794134
0.00126304 -0.00125517 -0.00049935
-0.00327554 -0.01608551 -0.00077430
1.84708046 17.34140960 -20.99722168
-0.00125824 -0.00058803 -0.00148534
0.00111702 -0.01243756 0.01569333
3.02347468 15.25341278 -19.15155457
-0.00137677 -0.00038647 0.00025259
0.01132959 -0.00888253 -0.00229639
13.00614382 -1.67246505 -6.78822262
-0.00076606 0.00203820 0.00001515
0.00358989 0.00065249 -0.01186087
12.84438773 -1.02903046 -4.01172710
0.00024640 -0.00069088 0.00033976
0.01775663 -0.00424214 -0.00346516
-17.56933358 -3.06644238 3.55773220
0.00007036 0.00083984 -0.00031528
0.03406488 0.00894364 -0.00912839
-14.45331398 -2.57620085 3.10785721
0.00010136 0.00092917 0.00102915
-0.00076444 -0.01720161 0.00188804
-16.36257197 -0.01931277 19.86563268
0.00069799 -0.00041643 -0.00047838
0.00193238 -0.01607034 0.00618012
-15.59913788 -3.00345103 19.53460482
0.00014063 -0.00050955 -0.00068933
-0.02169342 0.02947496 0.00453256
-0.76787433 0.55387368 -5.05693751
0.00022931 -0.00032814 -0.00064505
-0.00020076 0.02182635 0.00089483
-0.81443509 3.54611154 -4.78638304
0.00065688 0.00011550 -0.00020422
-0.01943355 0.01166474 -0.00009919
23.35486377 -8.64808095 -9.21564893
-0.00029841 0.00051508 -0.00022090
-0.00892966 -0.02082363 -0.00398068
23.64152283 -6.09448975 -8.36788118
-0.00011731 0.00039688 -0.00047867
0.00389980 0.02668529 0.00691895
0.55669671 -5.98463230 5.79691083
-0.00016394 0.00006359 -0.00022039
0.00751585 0.01318166 -0.00097871
-0.44759733 -5.20694824 8.58702130
0.00026187 0.00023594 -0.00023865
0.01067068 0.00075607 -0.00677984
-1.04373363 -2.91589053 -18.68716102
-0.00014288 -0.00024206 -0.00009622
0.01913233 -0.04361970 0.01015993
-3.33005449 -2.01580766 -20.31905580
0.00108853 -0.00022026 -0.00023899
0.00488783 -0.00606160 0.00480546
2.92223780 2.58474181 -11.09162818
-0.00062773 -0.00094638 -0.00060098
0.00157162 0.00081227 0.02781549
1.86644440 2.39734208 -8.20596022
-0.00060425 0.00080108 -0.00002754
0.00123737 0.00423361 0.00343445
-2.34813482 16.85787074 12.71082471
-0.00048374 0.00053227 0.00016618
-0.00933942 0.00186467 -0.01358350
-3.59069527 19.23657932 13.48900995
0.00064746 -0.00026835 -0.00092917
-0.00406364 0.01232258 0.01117998
-4.26417316 6.30189761 -12.46352237
-0.00124231 0.00137204 0.00006738
0.00304408 -0.00428591 -0.00928800
-2.97241470 3.52970702 -12.07815128
0.00080788 -0.00067597 -0.00010843
-0.00287217 -0.01015419 -0.02103885
-7.66578027 2.28561135 -7.46311632
-0.00016528 -0.00001229 0.00005803
-0.00725049 0.00502831 -0.01502240
-6.64550190 3.83605744 -9.57504947
0.00101061 -0.00059739 0.00071954
0.04409690 0.02097525 -0.02416100
1.95328540 28.23312143 6.80935305
0.00026152 -0.00006515 0.00057805
-0.00031866 -0.00690000 0.02135477
0.26771249 27.50945483 9.07982115
0.00060834 0.00027474 -0.00004546
-0.02531738 0.00936120 0.00736319
10.90099185 -6.75434270 -0.47081372
0.00004083 -0.00096154 0.00030079
0.00116402 -0.00622774 -0.00091612
8.82554396 -7.47428362 -2.41081865
-0.00045769 0.00018925 -0.00098246
0.00057059 -0.00106574 0.00190644
-7.05086342 0.20603923 6.31949358
0.00046390 0.00019292 -0.00018492
0.00537702 -0.00845351 0.00892812
-9.87040051 -0.58372284 6.92486945
0.00077741 -0.00126789 0.00023273
0.02115842 0.02233350 -0.01645555
21.58338739 10.41055524 10.28443650
0.00050914 -0.00046967 -0.00076320
-0.01479010 -0.00607031 -0.01517942
20.72642175 12.52578351 8.60342950
0.00071058 0.00064469 -0.00054592
-0.00298229 -0.01227418 -0.00816076
-1.62009115 -3.12426049 -26.03137178
-0.00008169 -0.00036168 -0.00111232
-0.00919810 0.00240847 -0.01363958
-4.39947811 -2.29216995 -26.38208879
0.00114182 0.00020836 -0.00120885
-0.00180902 0.00334254 -0.00078763
-14.41873822 7.08790132 8.94774685
0.00044005 0.00025911 0.00013397
-0.00433612 0.00682251 -0.00680201
-14.60544406 7.13206256 5.99257944
-0.00114764 0.00020922 0.00091435
-0.00109679 0.00492129 0.00811085
-11.23672700 6.61473636 -3.81041169
0.00015781 -0.00000531 0.00092266
0.00919354 0.01388196 0.00238085
-8.70327766 8.21384811 -3.65131229
0.00010353 0.00019393 0.00051426
-0.01119336 -0.00451734 -0.00251023
-1.10837325 -17.49706410 23.48020958
0.00051414 -0.00021561 -0.00029768
-0.00760977 0.00653990 0.00316770
-3.37679961 -15.75249266 24.49028251
-0.00115159 0.00076230 0.00038376
-0.05529030 -0.00489023 0.01159235
-3.16599473 5.61451820 -7.95829203
0.00062631 -0.00016660 -0.00028342
-0.00203522 -0.00597593 -0.02239989
-3.73277272 7.70848116 -6.12844834
0.00046098 0.00021393 -0.00030222
-0.02653414 0.02280578 0.00651851
-21.41979254 30.31481116 3.17082713
0.00134080 0.00106502 -0.00068961
0.00551745 0.00699217 0.02433473
-21.46133036 32.38338146 5.35722991
0.00032182 0.00043640 0.00026382
0.00197004 -0.02000723 0.00070586
6.95467950 -0.37751788 6.33985802
0.00000058 -0.00008979 -0.00092566
0.00283464 0.01737267 0.01124381
7.20948920 1.68558827 8.71934263
0.00079497 0.00019296 -0.00047648
-0.00669061 0.00795103 -0.01497281
6.61429144 12.61016660 -13.38702852
-0.00001438 0.00076534 -0.00070741
0.01422444 0.00828886 -0.00177070
4.40395879 12.22723215 -15.23156222
-0.00047947 0.00024077 -0.00000737
0.03238783 -0.02782778 0.03770158
14.51615867 4.17731881 -2.76522828
-0.00006197 -0.00110705 -0.00082057
0.00232359 0.00055930 0.00385103
15.27426387 1.38198504 -2.06605372
-0.00060075 -0.00053465 0.00036269
0.01187305 0.03002113 -0.00107959
-2.43597747 13.47835969 -0.47375929
-0.00005308 0.00026985 -0.00040323
-0.00655108 -0.00158674 -0.00095507
-5.33801590 13.13134681 0.08911715
-0.00016879 -0.00036430 -0.00025194
-0.00016840 -0.00185255 0.00488696
3.71723199 11.03827038 3.63040062
0.00081541 0.00081861 -0.00051791
0.00215622 0.00814633 -0.00474155
6.30945116 12.38505323 3.62240664
0.00052867 -0.00029644 0.00020794
0.01784077 -0.00293182 -0.00264236
25.15614475 -13.43838149 -8.77046097
0.00069832 0.00062139 0.00004604
-0.00176740 -0.00515023 0.00517799
25.92144462 -11.62826422 -11.06277783
0.00058361 0.00009068 0.00112145
-0.01783324 -0.00646520 0.02156606
14.67850862 -3.95566941 -0.90867226
-0.00036929 -0.00052471 -0.00035522
0.00553181 -0.00056049 0.00073138
17.23217294 -5.57044505 -0.80395123
-0.00033001 0.00092356 0.00003262
-0.01279511 0.00941546 0.00087877
11.78490519 8.07046880 11.35377077
-0.00004286 0.00040062 0.00103996
0.01888942 -0.01236218 -0.01178003
12.81035071 9.60203749 9.16417501
0.00001427 -0.00006553 0.00030509
0.01378121 -0.01193240 -0.00033882
0.12593552 -14.33382096 17.02397425
-0.00041234 -0.00067101 0.00012122
-0.01260207 -0.00053580 -0.00498601
1.69887344 -12.02166907 18.18800875
0.00053393 0.00035353 0.00057208
-0.00539343 -0.01083614 -0.00517802
-4.20034335 -2.13103450 -13.47529575
0.00042701 0.00016786 -0.00057785
-0.00193454 0.02003569 -0.01345802
-3.06843648 -0.67886433 -15.92752789
0.00064534 0.00085231 -0.00044930
-0.02250154 -0.00515892 0.01586292
14.64604021 -8.21232469 -10.97514188
-0.00136731 0.00105081 0.00006927
0.00207184 -0.01087607 0.02699084
15.87287698 -6.62927744 -9.00272577
-0.00035251 -0.00025057 -0.00102237
0.02356773 0.02753085 0.00627017
7.35385695 -5.80454444 9.16500973
0.00021012 -0.00064449 0.00067175
-0.02518330 0.01872031 0.00711667
9.34671374 -5.46975212 7.10657523
0.00000715 -0.00095111 0.00059204
-0.00247105 -0.01089519 0.01081056
-20.85140163 2.37234610 20.89203937
-0.00044884 -0.00039131 0.00014385
0.00550761 -0.01105434 -0.04280637
-21.84856268 0.56153374 23.16182393
0.00042792 -0.00025097 0.00045620
-0.00003592 0.01153881 -0.01154586
26.36940601 -2.85541042 -6.00549092
-0.00007993 -0.00021134 -0.00051087
0.00480776 0.00126798 -0.00064949
25.27343418 -1.45188096 -8.20157848
-0.00054295 0.00009132 0.00022415
-0.00108759 0.01053651 -0.00534770
9.11534818 -15.81032737 -7.61032749
-0.00032430 0.00070701 0.00010071
-0.00514976 -0.01048411 -0.00043413
8.61856844 -12.92336060 -7.11622364
-0.00011959 0.00012791 -0.00026308
-0.00743651 0.00755886 0.00854377
-5.45774577 -10.89397005 17.87351678
-0.00073302 -0.00097292 -0.00014040
-0.00289344 -0.00665250 -0.00334682
-6.98936514 -11.03791047 15.45061311
-0.00111479 -0.00077159 0.00060888
-0.00149918 0.00723510 -0.01563775
9.66346595 2.25909354 -29.62608472
-0.00149062 -0.00082363 0.00101832
-0.01949393 0.00660983 -0.00947244
6.88526737 3.06064774 -30.66572562
-0.00055568 0.00101728 -0.00039912
-0.00679714 -0.01420934 -0.00158261
12.51625903 14.71677965 14.67885516
0.00023992 0.00049439 0.00061321
0.00403525 0.00227890 -0.01697197
11.33072966 16.20469447 16.95514575
0.00006878 -0.00073646 -0.00026341
-0.01257588 -0.01173614 -0.03503070
28.88446636 5.07879747 -4.49026567
0.00040010 0.00002345 -0.00004140
0.00634065 -0.00869238 -0.00814960
26.78305666 6.68273053 -3.39363422
-0.00025299 -0.00056440 -0.00120155
0.00085268 0.00364297 0.00233720
-9.97193396 4.92209317 6.94906926
0.00003102 -0.00004800 -0.00014835
0.00190535 -0.01047657 -0.00977911
-8.66221588 13.23523297 2.57867851
-0.00004449 0.00008157 0.00005024
0.00200908 -0.00106755 -0.00705739
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09413907
0.34329226
457.41972182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3805527045 (a.u.)
total exchange computation time: 2.5631320477 s
-154.1626526107
-931.43459125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3803737318 (a.u.)
total exchange computation time: 2.5635249615 s
-154.1650120348
Anderson extrapolation: theta=1.3418066049 (1.3418066049)
-931.43479069
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3800376532 (a.u.)
total exchange computation time: 2.5645351410 s
-154.1688957316
Anderson extrapolation: theta=0.0503550779 (0.0503550779)
-931.43490841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3799427813 (a.u.)
total exchange computation time: 2.5638599396 s
-154.1697088617
Anderson extrapolation: theta=1.8578017661 (1.8578017661)
-931.43491244
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3797383451 (a.u.)
total exchange computation time: 2.5640389919 s
-154.1713881250
Anderson extrapolation: theta=0.2143096913 (0.2143096913)
-931.43491628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3796831760 (a.u.)
total exchange computation time: 2.5658941269 s
-154.1717824688
Anderson extrapolation: theta=1.8427230032 (1.8427230032)
-931.43491695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3795959763 (a.u.)
total exchange computation time: 2.5669507980 s
-154.1723464193
Anderson extrapolation: theta=0.2924902664 (0.2924902664)
-931.43491773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3795864606 (a.u.)
total exchange computation time: 2.5661039352 s
-154.1723485659
Anderson extrapolation: theta=1.2857901245 (1.2857901245)
-931.43491793
-71.840339 22.956334 143.282477
559.398611 1032.239820 -412.496298
487.558272 1055.196155 -269.213821
1193.158864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3795870585 (a.u.)
total exchange computation time: 2.5625269413 s
679.14136480
-1083.84145729
89.64252186
-389.12357636
-174.87418403
78.28816561
551.60419304
0.00000000
-931.43491808
3.90541816 -30.77814649 -2.28045495
0.00001117 0.00024651 0.00002250
0.00376004 -0.02183750 0.00565166
-11.81887467 -2.15978705 -9.14292461
0.00034309 0.00022318 -0.00011742
-0.00573964 0.01519034 -0.01141600
-37.43666278 2.43777458 -0.08009619
-0.00014601 0.00023400 0.00015270
0.03071660 -0.02974749 -0.00286884
-11.52006452 -3.96918538 3.85350837
-0.00018862 -0.00022909 -0.00011301
0.01142384 0.02760458 0.00216759
4.62946119 -3.87105229 9.49692176
-0.00036353 -0.00001537 -0.00027230
0.00949086 0.03133322 0.00051676
-31.89991031 -0.98938453 -0.65464611
0.00015629 0.00043397 0.00012579
-0.02479663 0.02892446 0.00883452
14.97963209 12.58388370 -14.04755479
-0.00030731 -0.00000328 0.00031121
0.03406433 -0.00883124 -0.00516467
-7.71822870 5.84898954 2.44154266
0.00008293 0.00021196 0.00009592
-0.00566258 0.02012570 0.04403338
7.44989566 12.55289056 -5.56634546
0.00025901 0.00012220 -0.00018641
-0.01273902 0.00008838 -0.02469679
8.92348194 9.81720399 -19.05888369
-0.00009703 0.00011043 0.00011364
-0.00206288 -0.01933731 -0.02211714
23.26708620 17.38416015 -2.11699078
0.00020870 -0.00016996 0.00000512
0.00447505 0.00786884 -0.00297382
2.24010085 16.90504595 -19.19382584
0.00025526 -0.00009798 -0.00033581
-0.02016559 0.03162508 -0.02087085
14.09373715 -1.44494032 -5.33360553
-0.00001684 0.00025318 -0.00015828
-0.02141901 0.00531357 0.00296764
-16.10923700 -1.84035324 3.28117461
0.00003708 0.00028479 -0.00028090
-0.03409748 0.01497755 0.01651576
-17.00272696 -1.73887608 19.41577801
0.00016750 -0.00014118 -0.00029928
0.02332888 -0.01736773 -0.00811088
0.25613123 2.14685159 -5.13929146
0.00013867 -0.00018597 0.00026641
0.01536975 -0.03383635 -0.00568145
22.33168687 -7.17178620 -8.97704698
0.00041419 -0.00013338 0.00006963
0.00220483 -0.00022936 0.00369360
-0.45684128 -6.43112369 7.23978110
-0.00018817 0.00004682 0.00004601
-0.02037585 -0.01790626 0.00995638
-1.88079038 -1.50209837 -19.28089675
0.00011871 0.00027868 -0.00009957
-0.01972622 0.04293038 -0.01332489
3.36298830 2.24850112 -9.28241319
-0.00007404 -0.00022459 0.00004326
-0.00410770 -0.00093116 -0.03124833
-3.69134688 18.04395829 12.13499018
-0.00016702 -0.00024962 0.00027841
0.00509356 -0.01436890 -0.00724731
-3.71232020 4.98695594 -11.33597322
-0.00029520 -0.00000935 0.00046823
-0.00135689 0.01021236 0.01495322
-8.16638456 3.25265065 -8.97304555
0.00015973 -0.00029259 -0.00008532
-0.03625365 -0.02824704 0.03838181
1.91493313 27.30623634 8.44917676
0.00046682 0.00019304 0.00012329
0.02623152 -0.00251419 -0.02178588
10.05293188 -6.19016924 -2.00393729
-0.00030942 0.00000918 0.00007198
0.00171529 0.00593153 0.00607956
-8.79908775 0.58445529 5.88151504
0.00008815 0.00037893 0.00009328
-0.03772246 -0.01492743 0.01182599
20.44596577 10.67105721 8.80428576
-0.00020662 -0.00000662 0.00017921
0.02004359 0.02818200 0.01617797
-2.75172242 -2.15715743 -27.17469732
0.00038956 -0.00002730 0.00010827
0.02378368 -0.00527840 0.00506471
-14.29576067 6.06553751 7.45564100
-0.00002887 0.00009313 0.00025812
0.00436401 -0.01243137 -0.00220393
-9.90184800 7.18642871 -2.67196781
0.00037270 0.00019445 0.00001275
0.00436180 -0.00517986 0.00352033
-1.70715257 -15.80868562 24.04195704
-0.00004225 0.00016251 -0.00055401
0.05453725 0.00205531 -0.01294763
-2.59457221 6.37699181 -6.44312061
-0.00007397 -0.00013023 0.00018799
0.02707581 -0.01286056 0.01728245
-20.34063734 31.10041390 4.57941986
0.00047361 -0.00009699 -0.00035728
-0.02274344 0.00617617 -0.01807075
7.56855567 0.02663112 8.09534239
0.00004202 0.00009462 -0.00011547
0.00318793 -0.02384403 -0.01315101
5.51243561 11.26945568 -13.91219365
0.00019776 0.00013825 0.00014140
-0.04172790 0.02358830 -0.02522907
15.83830526 3.17406256 -1.96565921
-0.00037250 -0.00035501 -0.00002910
-0.01000496 -0.03148254 0.00181890
-4.11306612 13.62140915 -1.19287068
-0.00027233 -0.00006736 0.00052323
0.00775865 -0.00590025 -0.00960530
4.55905409 12.71682068 3.30484496
-0.00016913 -0.00055285 -0.00008815
-0.00612153 -0.00826858 -0.00432604
24.80937451 -11.80966655 -9.48646978
0.00011243 0.00017716 -0.00027800
0.02145230 0.01579321 -0.03412329
16.40863471 -3.94213647 -0.36843041
0.00007104 0.00008036 -0.00013057
0.01422139 0.00443496 0.00052301
12.93849337 7.86965039 9.85130595
0.00014322 0.00002643 0.00013962
-0.02831568 0.03077544 0.02572098
1.72041267 -13.79654334 17.69010264
-0.00036956 -0.00018302 -0.00007896
0.02460577 0.01305457 0.01289488
-4.42909305 -0.63257650 -14.59508040
0.00005281 -0.00028621 0.00044443
0.03782405 -0.00958142 -0.00581052
14.99490609 -8.17133482 -9.07152119
0.00031493 0.00042249 0.00031932
-0.02381729 -0.02750351 -0.03971968
8.84778311 -6.56111638 8.53358037
-0.00042692 -0.00030180 0.00013511
0.02933635 -0.01402021 -0.01487590
-21.34874850 2.25394491 22.57196009
0.00001459 0.00008865 0.00022488
-0.00882016 -0.00103292 0.05601848
25.85135294 -3.11933279 -7.75753140
-0.00006107 -0.00028162 -0.00036304
-0.00602317 -0.00393814 0.00848142
9.83160395 -14.13624239 -7.66924528
-0.00002246 -0.00015490 -0.00027501
0.01963456 0.01710150 -0.01568624
-6.26955352 -12.10584621 16.72262099
-0.00041652 -0.00031819 0.00021668
0.00781743 -0.00367162 0.02138060
8.23658332 3.44341161 -29.50348795
0.00006403 0.00001181 0.00023015
0.00876321 -0.00184264 0.00772167
10.95234442 15.64031112 15.13183616
-0.00029277 -0.00027461 0.00024190
0.00347985 0.00381220 0.05472140
28.49334576 6.06069759 -3.02100569
0.00031067 -0.00017174 -0.00004137
-0.01736944 0.01971815 -0.00494128
5.30039607 -31.35925396 -3.37621210
0.00029703 0.00043275 -0.00012534
-0.00086952 0.00194131 0.00473592
4.05460792 -31.60658440 -0.63053926
-0.00070087 -0.00057467 -0.00007047
0.00266115 0.00794682 -0.00668946
-11.68981087 -3.88347792 -8.47626121
0.00027522 0.00080364 -0.00024238
-0.00610039 -0.00313059 -0.01179645
-12.61597471 -2.16416398 -10.82404243
-0.00018460 0.00026455 0.00045310
0.01002877 -0.00401587 0.01932666
-38.80178158 2.15684990 1.00789147
-0.00026598 0.00015058 -0.00053731
-0.02202175 -0.00952973 0.02309737
-37.76208621 3.99599003 -0.91575952
0.00021266 -0.00024108 0.00030970
-0.00496762 0.02528459 -0.01439800
-10.84361707 -5.57865612 3.43517023
-0.00032194 0.00064074 0.00067740
0.00755102 -0.02852666 -0.00327510
-10.02050998 -2.89680010 3.61538857
-0.00092211 0.00023399 -0.00003414
-0.01270251 0.00022941 0.00481032
5.49762104 -2.24660971 8.91010256
-0.00058747 -0.00076652 -0.00095966
-0.01264615 -0.02814284 0.01018265
4.41424305 -3.49429433 11.30459020
0.00092491 0.00003775 -0.00040310
0.00199250 -0.00977680 -0.00844174
-33.33543599 -2.13255483 -0.77588397
0.00016804 0.00069385 -0.00029012
-0.00101619 0.00868063 0.00604198
-32.54025394 0.67156550 -0.00301630
-0.00045071 0.00058534 0.00140318
0.00297851 -0.03121619 -0.00730514
14.88872666 12.95296928 -15.88221990
-0.00062035 -0.00012877 -0.00132053
-0.00541851 0.00046072 0.01321444
16.77204477 11.98815774 -13.79705743
-0.00156439 0.00008843 0.00090769
-0.02991797 0.00650129 -0.00196127
-8.41388605 7.06461388 1.32527859
-0.00036948 -0.00053067 0.00003743
-0.00757766 0.01256246 -0.01072788
-7.15459751 4.60384593 1.32928309
-0.00119017 0.00068756 0.00040051
0.01380063 -0.03260475 -0.02838907
6.05347919 12.49113418 -6.82041626
-0.00035857 -0.00058136 0.00003954
0.02020584 0.00241168 0.01190140
8.84890159 13.66383125 -6.31242886
0.00099006 0.00018872 -0.00089838
-0.01225347 -0.00411903 0.00120269
8.91753578 9.03641937 -20.74237807
-0.00048950 -0.00019460 0.00065003
-0.00994675 0.00295727 0.01066364
10.69952929 10.23195105 -19.00910023
-0.00074816 0.00109991 -0.00084335
0.00819525 0.01448466 0.00942739
24.23657911 15.82039655 -2.66052878
-0.00020657 -0.00098381 -0.00052927
-0.00805215 0.02207472 0.01081306
24.45683226 18.82540909 -2.28545534
0.00124963 -0.00131746 -0.00050214
-0.00329111 -0.01440361 -0.00059014
1.82824103 17.33220796 -21.01902096
-0.00124975 -0.00064184 -0.00140974
0.00304165 -0.01390322 0.02131487
3.00317031 15.24734347 -19.14783603
-0.00132792 -0.00042691 0.00024237
0.01258360 -0.01091325 -0.00270922
12.99476287 -1.64187208 -6.78835883
-0.00074971 0.00204037 -0.00003255
0.00441395 0.00041063 -0.01148863
12.84862790 -1.03952360 -4.00673682
0.00031896 -0.00070716 0.00032656
0.01775887 -0.00372714 -0.00299825
-17.56723431 -3.05357077 3.55272335
0.00020691 0.00087232 -0.00035196
0.03277571 0.00695668 -0.00882937
-14.45181695 -2.56279046 3.12335225
0.00010216 0.00085555 0.00103579
0.00115177 -0.01883361 0.00136542
-16.35204288 -0.02605161 19.85864629
0.00070539 -0.00048058 -0.00045291
0.00169004 -0.01533421 0.00629041
-15.59769324 -3.01019101 19.52440371
0.00005106 -0.00038813 -0.00067062
-0.02214772 0.02995827 0.00462788
-0.76444089 0.54962040 -5.06658586
0.00022765 -0.00023801 -0.00064027
-0.00061230 0.02229331 0.00144397
-0.80517744 3.54820155 -4.78944940
0.00057523 0.00016408 -0.00020389
-0.02053530 0.01211549 0.00025933
23.35011403 -8.64099287 -9.21908438
-0.00032656 0.00041981 -0.00023855
-0.00485232 -0.02581285 -0.00466066
23.63988264 -6.08771880 -8.37484917
-0.00009835 0.00050666 -0.00044956
0.00538266 0.02705250 0.00733005
0.55446798 -5.98327454 5.79357505
-0.00013504 0.00011614 -0.00022205
0.00662683 0.01254456 0.00016626
-0.44334229 -5.20338600 8.58323381
0.00030516 0.00023964 -0.00026478
0.01051948 0.00105824 -0.00601330
-1.04529053 -2.92085800 -18.68829302
-0.00006737 -0.00041345 -0.00005661
0.01782729 -0.04027753 0.00923244
-3.31357674 -2.01929729 -20.32249343
0.00110140 -0.00024525 -0.00022391
0.00140975 -0.00617380 0.00257608
2.91287003 2.57057105 -11.09979060
-0.00061839 -0.00094361 -0.00048110
0.00299990 0.00054133 0.03086784
1.85741854 2.40948800 -8.20626815
-0.00059340 0.00081704 -0.00001629
0.00407694 0.00358133 0.00207570
-2.35567705 16.86591191 12.71290116
-0.00051568 0.00053259 0.00011264
-0.00629722 -0.00170963 -0.01262622
-3.58110792 19.23293165 13.47541501
0.00063029 -0.00020762 -0.00087340
-0.00434189 0.01740365 0.01611973
-4.28271450 6.32234686 -12.46279628
-0.00122193 0.00133663 0.00004342
0.00693106 -0.01304701 -0.00243875
-2.96038454 3.51925629 -12.08042248
0.00078696 -0.00069919 -0.00018655
-0.00736576 -0.00121185 -0.01719849
-7.66848163 2.28558112 -7.46270619
-0.00019529 0.00000693 -0.00000122
-0.00743782 0.00437652 -0.01398245
-6.62899156 3.82773931 -9.56499668
0.00118241 -0.00051462 0.00062365
0.04000254 0.01954089 -0.02278142
1.95719844 28.23193267 6.81867819
0.00026101 -0.00008995 0.00065825
0.00006781 -0.00523909 0.01790130
0.27606182 27.51386278 9.07936483
0.00050245 0.00031318 -0.00001398
-0.02651831 0.00945420 0.00804951
10.90163996 -6.76895666 -0.46632999
0.00004059 -0.00098435 0.00028926
-0.00127911 -0.00493853 -0.00472556
8.81869616 -7.47147753 -2.42549715
-0.00045293 0.00018663 -0.00097323
0.00175910 -0.00021545 0.00261393
-7.04374008 0.20867401 6.31699339
0.00048167 0.00015985 -0.00014991
0.00331967 -0.00773498 0.00820956
-9.85809101 -0.60205685 6.92785621
0.00086673 -0.00117052 0.00016139
0.02256602 0.02532878 -0.01846705
21.59057128 10.40332412 10.27252341
0.00045022 -0.00049394 -0.00082229
-0.01405180 -0.00581012 -0.01374781
20.73698900 12.53507767 8.59499063
0.00069623 0.00058476 -0.00057713
-0.00404120 -0.01705760 -0.00711844
-1.62159833 -3.12961193 -26.04847461
-0.00011326 -0.00035665 -0.00116048
-0.00625528 0.00005716 -0.00993052
-4.38240620 -2.28894206 -26.40024563
0.00111666 0.00022058 -0.00120318
-0.01050702 0.00263704 0.00356030
-14.41227036 7.09199701 8.94954791
0.00042251 0.00028665 0.00010768
-0.00424870 0.00665879 -0.00606668
-14.62269231 7.13535169 6.00654326
-0.00115245 0.00023067 0.00094372
-0.00125507 0.00557595 0.00626608
-11.23407815 6.61508210 -3.79649890
0.00019213 0.00005024 0.00092846
0.00760591 0.01331219 0.00046197
-8.70206766 8.21661865 -3.64367531
0.00006109 0.00017809 0.00049997
-0.00958183 -0.00323679 -0.00448331
-1.10089435 -17.50009788 23.47584143
0.00047941 -0.00018486 -0.00028283
-0.00939019 0.00851189 0.00410197
-3.39576768 -15.74120808 24.49639418
-0.00134748 0.00073975 0.00042309
-0.04060236 -0.00614763 0.00765912
-3.15666252 5.61183614 -7.96322971
0.00061879 -0.00018864 -0.00037180
-0.00164363 -0.00481297 -0.02086458
-3.72667115 7.71238900 -6.13278189
0.00035119 0.00030804 -0.00027603
-0.02720656 0.02325795 0.00630242
-21.39951147 30.33100070 3.16122869
0.00135917 0.00109059 -0.00059358
0.00347585 0.00552370 0.02267143
-21.45644267 32.38931437 5.36120889
0.00033496 0.00034785 0.00026193
0.00446255 -0.02334005 -0.00163062
6.95477509 -0.37833233 6.32631763
0.00001461 -0.00001691 -0.00087171
0.00403360 0.01830245 0.01516648
7.22120881 1.68872624 8.71173666
0.00076692 0.00022840 -0.00053667
-0.00704437 0.00939968 -0.01449060
6.61451164 12.62190073 -13.39769393
0.00004328 0.00079740 -0.00071463
0.01400163 0.00740377 -0.00176179
4.39775925 12.22999101 -15.23051743
-0.00034511 0.00012459 0.00014889
0.03337848 -0.02904453 0.03878923
14.51530029 4.16073012 -2.77741888
-0.00005461 -0.00110204 -0.00080630
0.00128121 0.00189605 0.00313771
15.26561638 1.37488517 -2.06064640
-0.00055109 -0.00041038 0.00035845
0.01243648 0.03081070 -0.00099988
-2.43697444 13.48235874 -0.47983701
-0.00007834 0.00026247 -0.00040474
-0.00581383 -0.00202532 0.00021384
-5.34055288 13.12582550 0.08548777
-0.00017235 -0.00037357 -0.00022631
-0.00157286 -0.00268545 0.00766104
3.72952916 11.05079917 3.62248669
0.00081710 0.00083645 -0.00053410
-0.00132612 0.00058541 -0.00318258
6.31792793 12.38051678 3.62544483
0.00059041 -0.00030661 0.00019496
0.01238109 -0.00204741 -0.00371401
25.16656535 -13.42921845 -8.76961178
0.00069083 0.00059808 0.00006890
-0.00189918 -0.00625989 0.00601498
25.92965233 -11.62710212 -11.04529527
0.00051454 0.00006590 0.00120171
-0.01597583 -0.00566635 0.01772082
14.67313878 -3.96355724 -0.91397819
-0.00033924 -0.00052639 -0.00034959
0.00917755 -0.00026105 0.00202681
17.22683074 -5.55630307 -0.80343507
-0.00037657 0.00095148 0.00003385
-0.00999973 0.00425132 -0.00027527
11.78484106 8.07609925 11.36900913
0.00003938 0.00034859 0.00098449
0.02137079 -0.01310701 -0.01536874
12.81098698 9.60068896 9.16874100
0.00007047 -0.00011221 0.00030257
0.01372932 -0.01092142 -0.00089409
0.11936425 -14.34390250 17.02563977
-0.00046291 -0.00067083 0.00010176
-0.01215429 0.00062188 -0.00453832
1.70671709 -12.01669823 18.19643134
0.00051004 0.00029955 0.00054758
-0.00630043 -0.01558419 -0.00681627
-4.19399743 -2.12790271 -13.48437583
0.00042048 0.00024008 -0.00062598
-0.00126308 0.01531733 -0.01010526
-3.05944588 -0.66623773 -15.93378128
0.00054548 0.00083018 -0.00037666
-0.02638037 -0.00567665 0.01969397
14.62559401 -8.19689584 -10.97327579
-0.00135718 0.00100421 0.00018386
0.00289030 -0.01193540 0.02910216
15.86831153 -6.63219242 -9.01786923
-0.00024720 -0.00012335 -0.00099444
0.02798239 0.03474652 0.00740339
7.35623704 -5.81363812 9.17530413
0.00010191 -0.00056416 0.00070218
-0.02778383 0.02059979 0.00777566
9.34674523 -5.48435269 7.11578713
-0.00000201 -0.00098981 0.00063000
-0.00201175 -0.00804812 0.00776887
-20.85796540 2.36613773 20.89288535
-0.00042634 -0.00043618 -0.00003155
0.00550403 -0.01090927 -0.04304910
-21.84214496 0.55812278 23.16831310
0.00042815 -0.00020038 0.00040829
0.00014775 0.01322634 -0.01190477
26.36835435 -2.85854167 -6.01317390
-0.00005946 -0.00020657 -0.00051162
0.00521213 0.00106731 0.00028255
25.26525667 -1.45018828 -8.19838012
-0.00054558 0.00012923 0.00020270
-0.00020253 0.00801969 -0.00514970
9.11032589 -15.80004342 -7.60883008
-0.00034775 0.00065483 0.00009918
-0.00633127 -0.01506026 -0.00031852
8.61654673 -12.92121038 -7.11990806
-0.00014621 0.00015645 -0.00022953
-0.00559367 0.00641112 0.00787814
-5.46882970 -10.90876775 17.87130818
-0.00073998 -0.00099227 -0.00014752
-0.00051684 -0.00281561 -0.00013727
-7.00613287 -11.04926258 15.45926705
-0.00112195 -0.00073995 0.00054310
-0.00200665 0.00825204 -0.01655892
9.64050931 2.24694167 -29.61110016
-0.00156214 -0.00080269 0.00097836
-0.01551876 0.00363825 -0.01008898
6.87672381 3.07547147 -30.67176093
-0.00057577 0.00096069 -0.00039878
-0.00303520 -0.01348949 0.00175016
12.51998149 14.72426537 14.68753327
0.00025674 0.00050271 0.00054221
0.00419708 0.00179023 -0.01778226
11.33137593 16.19328800 16.95012113
0.00001695 -0.00078116 -0.00040023
-0.01279116 -0.01014566 -0.03194120
28.89066222 5.07888281 -4.49113642
0.00042756 -0.00001340 -0.00007529
0.00710104 -0.00934197 -0.00844079
26.77928788 6.67437623 -3.41158581
-0.00024229 -0.00055131 -0.00118868
0.00438660 0.00276483 0.00395939
-9.97146357 4.92134512 6.94681771
0.00003168 -0.00005170 -0.00015180
0.00181180 -0.01020524 -0.00948159
-8.66287980 13.23645459 2.57941986
-0.00004404 0.00008131 0.00004863
0.00190172 -0.00109979 -0.00684125
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09412424
0.34079383
454.09069658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3853029709 (a.u.)
total exchange computation time: 2.6043150425 s
-154.1776747262
-931.43164811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3850561035 (a.u.)
total exchange computation time: 2.6005070210 s
-154.1805774764
Anderson extrapolation: theta=1.3864773637 (1.3864773637)
-931.43186013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3846119332 (a.u.)
total exchange computation time: 2.5993268490 s
-154.1853032010
Anderson extrapolation: theta=0.0685516373 (0.0685516373)
-931.43199481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3845011916 (a.u.)
total exchange computation time: 2.6035530567 s
-154.1862150290
Anderson extrapolation: theta=2.2951260921 (2.0000000000)
-931.43200256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3842574485 (a.u.)
total exchange computation time: 2.5999820232 s
-154.1881354812
Anderson extrapolation: theta=0.4002203213 (0.4002203213)
-931.43201288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3841644849 (a.u.)
total exchange computation time: 2.6000640392 s
-154.1887951729
Anderson extrapolation: theta=1.0339142133 (1.0339142133)
-931.43201579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3840941369 (a.u.)
total exchange computation time: 2.6023960114 s
-154.1892196346
Anderson extrapolation: theta=0.5072441588 (0.5072441588)
-931.43201796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3840861440 (a.u.)
total exchange computation time: 2.5998058319 s
-154.1891827520
Anderson extrapolation: theta=0.7818595234 (0.7818595234)
-931.43201874
-71.839309 23.028875 143.194807
559.385485 1032.246263 -412.525941
487.546177 1055.275137 -269.331135
1193.250246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3841014051 (a.u.)
total exchange computation time: 2.6017088890 s
679.20374497
-1083.98460149
89.64170375
-389.02419123
-174.88457369
78.36827645
551.60419304
0.00000000
-931.43201910
3.90560024 -30.77453315 -2.28009565
0.00001336 0.00023492 0.00002543
0.00476538 -0.02320007 0.00574328
-11.81375047 -2.15638074 -9.14472993
0.00034028 0.00023174 -0.00012309
-0.00519461 0.01810491 -0.01063284
-37.43873450 2.44116985 -0.07781673
-0.00012952 0.00021791 0.00015140
0.03341847 -0.03282652 -0.00220809
-11.52284976 -3.97251529 3.85182158
-0.00018403 -0.00021329 -0.00011127
0.00643045 0.03384769 0.00460770
4.62404492 -3.87116196 9.49283928
-0.00035880 0.00000002 -0.00027234
0.00887617 0.02850497 -0.00067378
-31.89766164 -0.98276340 -0.65272517
0.00014326 0.00044991 0.00013087
-0.02585340 0.03305857 0.01092037
14.97515382 12.58380041 -14.04290664
-0.00029184 -0.00000678 0.00030619
0.02609066 -0.00476357 -0.01434951
-7.71700654 5.85224652 2.44315124
0.00007963 0.00022340 0.00011998
-0.00716893 0.02439205 0.04953614
7.45373161 12.55472392 -5.56923685
0.00025257 0.00012251 -0.00019955
-0.01227556 0.00112030 -0.02642388
8.92201848 9.81878582 -19.05726441
-0.00009883 0.00010063 0.00010280
-0.00492265 -0.01877390 -0.02002383
23.27023397 17.38164109 -2.11692544
0.00021124 -0.00016679 0.00000339
0.00540963 0.00447665 -0.00377297
2.24385191 16.90369825 -19.19894348
0.00024415 -0.00008097 -0.00034774
-0.02301367 0.03452252 -0.02552476
14.09340186 -1.44112217 -5.33596829
-0.00002801 0.00025580 -0.00015710
-0.02201547 0.00490095 0.00160323
-16.10881240 -1.83602366 3.27702475
0.00001965 0.00029335 -0.00027244
-0.03366755 0.01831476 0.01640207
-17.00012447 -1.74106074 19.41125751
0.00017952 -0.00015035 -0.00030350
0.02340397 -0.01830961 -0.00831634
0.25827061 2.14393153 -5.13531722
0.00014683 -0.00020328 0.00026334
0.01634433 -0.03346949 -0.00627797
22.33790825 -7.17378781 -8.97598823
0.00041405 -0.00013220 0.00007165
-0.00275458 0.00484340 0.00416443
-0.45974240 -6.43049040 7.24050959
-0.00019830 0.00003770 0.00005053
-0.01903513 -0.01759225 0.00764832
-1.87908589 -1.49775261 -19.28244172
0.00011002 0.00029956 -0.00010533
-0.01403808 0.03827887 -0.00908269
3.36186191 2.24512875 -9.28188486
-0.00007714 -0.00022490 0.00002697
-0.00797941 -0.00029437 -0.03208444
-3.69383252 18.04015860 12.13913841
-0.00016516 -0.00025732 0.00027339
0.00212521 -0.01558399 -0.01228420
-3.71675343 4.98685513 -11.32889203
-0.00029563 -0.00000424 0.00047340
-0.00033130 0.00963805 0.00514022
-8.16412841 3.24815285 -8.97417730
0.00014262 -0.00030631 -0.00006651
-0.03028538 -0.02510012 0.03477485
1.92203655 27.30912225 8.45094208
0.00048017 0.00019125 0.00011300
0.02571423 -0.00446011 -0.01824569
10.04829715 -6.19000866 -2.00283420
-0.00030823 0.00001166 0.00007586
0.00294216 0.00372277 0.00903254
-8.79791099 0.59008166 5.88295982
0.00006914 0.00037039 0.00009996
-0.03618992 -0.01827540 0.01415195
20.44294379 10.67106662 8.80703639
-0.00019634 0.00000891 0.00018681
0.01994702 0.03222196 0.01337004
-2.74578729 -2.15758727 -27.17305373
0.00040323 -0.00002908 0.00010873
0.02936128 -0.00166004 -0.00326010
-14.29617683 6.06688650 7.45950425
-0.00002657 0.00008660 0.00025730
0.00457001 -0.01297882 -0.00098835
-9.89624068 7.18932545 -2.67176303
0.00037487 0.00019154 0.00001565
0.00408065 -0.00611347 0.00776023
-1.70757602 -15.80624004 24.03359692
-0.00001782 0.00016347 -0.00055979
0.04047643 0.00168717 -0.00951839
-2.59557733 6.37498874 -6.44023415
-0.00006024 -0.00013711 0.00019643
0.02630003 -0.01389074 0.01555165
-20.33362093 31.09898281 4.57399101
0.00046182 -0.00009284 -0.00036536
-0.02312052 0.00997880 -0.01335859
7.56919827 0.02795844 8.09355955
0.00004342 0.00008184 -0.00012321
0.00224395 -0.02586554 -0.01692957
5.51524106 11.27162048 -13.91016995
0.00017639 0.00015086 0.00012829
-0.04137266 0.02543408 -0.02574668
15.83267911 3.16861604 -1.96608862
-0.00037743 -0.00037152 -0.00002798
-0.00915655 -0.03272173 0.00253667
-4.11712114 13.62037593 -1.18505933
-0.00026816 -0.00007011 0.00051723
0.00847267 -0.00478136 -0.01372492
4.55649351 12.70849603 3.30350602
-0.00016971 -0.00055501 -0.00009058
0.00386374 -0.00011137 -0.00513423
24.81114369 -11.80694819 -9.49077147
0.00012287 0.00018517 -0.00029452
0.01913400 0.01534755 -0.03010455
16.40975512 -3.94091398 -0.37038697
0.00007666 0.00008397 -0.00013025
0.00765704 0.00959732 0.00071821
12.94053238 7.87016562 9.85349947
0.00012815 0.00004203 0.00015376
-0.03028468 0.02985304 0.02924197
1.71496425 -13.79923834 17.68896794
-0.00035681 -0.00017558 -0.00007213
0.02494425 0.01590448 0.01366676
-4.42815496 -0.63690666 -14.58843631
0.00007289 -0.00028965 0.00043958
0.04023587 -0.00378212 -0.01306320
14.99953819 -8.16510364 -9.06688459
0.00030148 0.00040705 0.00029828
-0.02848265 -0.03250200 -0.04208773
8.84149251 -6.56569745 8.53554968
-0.00041159 -0.00031011 0.00012828
0.03025367 -0.01830266 -0.01169526
-21.34856363 2.25527067 22.57554931
0.00001023 0.00008780 0.00025327
-0.00812922 -0.00225262 0.05440143
25.85041359 -3.12357222 -7.76294433
-0.00006448 -0.00028285 -0.00035901
-0.00722484 -0.00087907 0.00718735
9.83134277 -14.13849992 -7.67343092
-0.00001251 -0.00014462 -0.00028290
0.01906180 0.02288067 -0.01498982
-6.27577119 -12.11063330 16.72595359
-0.00041303 -0.00032125 0.00022688
0.00575753 -0.00820774 0.01829887
8.23757750 3.44358170 -29.50000594
0.00006637 0.00001152 0.00023337
0.00034080 0.00071077 0.00481959
10.94796622 15.63620669 15.13567570
-0.00029089 -0.00027302 0.00026913
0.00383231 0.00237593 0.05119456
28.49793878 6.05819760 -3.02164530
0.00030069 -0.00016121 -0.00004435
-0.02144599 0.02123104 -0.00665097
5.30482492 -31.35270318 -3.37794709
0.00029165 0.00044104 -0.00010440
-0.00176376 0.00211295 0.00551362
4.04417648 -31.61496092 -0.63180125
-0.00068948 -0.00054057 -0.00010036
0.00291194 0.00874443 -0.00794386
-11.68586957 -3.87151919 -8.48025840
0.00025066 0.00078432 -0.00028759
-0.00591800 -0.00633059 -0.01033269
-12.61843643 -2.16031879 -10.81665366
-0.00014549 0.00024867 0.00052754
0.00911920 -0.00375527 0.01710956
-38.80644615 2.15881657 1.00053956
-0.00035986 0.00011082 -0.00044027
-0.02392956 -0.00993275 0.02440329
-37.75904859 3.99314856 -0.91155524
0.00019099 -0.00013120 0.00024712
-0.00563581 0.02850696 -0.01623464
-10.84821482 -5.56991919 3.44523079
-0.00028489 0.00051000 0.00066004
0.01058724 -0.03547215 -0.00522090
-10.03473085 -2.89328329 3.61502382
-0.00096973 0.00023703 -0.00001542
-0.01061027 0.00126151 0.00435286
5.48842147 -2.25896990 8.89601964
-0.00063688 -0.00087638 -0.00091916
-0.01154094 -0.02563648 0.00964576
4.42817777 -3.49402767 11.29828507
0.00093172 -0.00000089 -0.00043366
0.00133915 -0.00913861 -0.00652109
-33.33294654 -2.12188110 -0.78005061
0.00016206 0.00072704 -0.00026553
-0.00190960 0.00756737 0.00599703
-32.54692335 0.67938911 0.01780757
-0.00043483 0.00045102 0.00136922
0.00479685 -0.03453710 -0.00931769
14.87925532 12.95105179 -15.90162287
-0.00064049 -0.00013072 -0.00125166
-0.00443706 -0.00141245 0.02049834
16.74766222 11.98968337 -13.78350211
-0.00167275 0.00011124 0.00089990
-0.02312569 0.00466381 -0.00185492
-8.41966050 7.05703885 1.32551135
-0.00040286 -0.00047489 -0.00000836
-0.00876178 0.01474001 -0.01168867
-7.17202720 4.61316019 1.33442078
-0.00112802 0.00054129 0.00027516
0.01662268 -0.03899538 -0.03296959
6.04871985 12.48248764 -6.81945847
-0.00027273 -0.00057050 0.00008997
0.02181392 0.00290739 0.01278223
8.86337699 13.66653588 -6.32586776
0.00093499 0.00016912 -0.00089124
-0.01470189 -0.00547908 0.00229558
8.90988844 9.03359096 -20.73230087
-0.00053048 -0.00018493 0.00068872
-0.01011179 0.00177718 0.00827778
10.68855801 10.24889349 -19.02146164
-0.00070824 0.00116051 -0.00080426
0.01134424 0.01517986 0.00970711
24.23323379 15.80631583 -2.66813642
-0.00024202 -0.00088997 -0.00048271
-0.00930189 0.02386019 0.01197865
24.47547584 18.80520587 -2.29300552
0.00123640 -0.00137249 -0.00050414
-0.00318463 -0.01253595 -0.00038878
1.80958801 17.32215425 -21.03951393
-0.00123361 -0.00070085 -0.00131303
0.00485636 -0.01498194 0.02602572
2.98363713 15.24060533 -19.14428353
-0.00127464 -0.00047457 0.00023063
0.01349540 -0.01241564 -0.00303736
12.98365243 -1.61125394 -6.78919915
-0.00072965 0.00204162 -0.00007797
0.00540797 0.00020272 -0.01074184
12.85395645 -1.05024516 -4.00193028
0.00039089 -0.00072124 0.00031566
0.01745114 -0.00316718 -0.00233551
-17.56312633 -3.04027281 3.54717338
0.00033687 0.00089594 -0.00038713
0.03083909 0.00460753 -0.00838388
-14.45024932 -2.55053431 3.13893097
0.00010994 0.00077588 0.00104049
0.00265913 -0.02016532 0.00093620
-16.34141020 -0.03373022 19.85204542
0.00071188 -0.00054117 -0.00042686
0.00148692 -0.01432408 0.00645880
-15.59760594 -3.01509495 19.51448622
-0.00003897 -0.00026613 -0.00065143
-0.02192577 0.02975976 0.00476577
-0.76104497 0.54673339 -5.07614573
0.00022395 -0.00014690 -0.00063326
-0.00119691 0.02230686 0.00199046
-0.79717831 3.55103407 -4.79249987
0.00049028 0.00021315 -0.00020253
-0.02104466 0.01190068 0.00040942
23.34506691 -8.63548675 -9.22280546
-0.00033826 0.00030495 -0.00025884
-0.00087631 -0.03041053 -0.00527020
23.63857234 -6.07928991 -8.38136792
-0.00007438 0.00061667 -0.00041939
0.00635280 0.02679653 0.00743736
0.55264539 -5.98114797 5.79024947
-0.00011008 0.00016581 -0.00021868
0.00559214 0.01176586 0.00148064
-0.43844256 -5.19975891 8.57907778
0.00034779 0.00024459 -0.00028762
0.01034985 0.00136081 -0.00516537
-1.04575487 -2.92829393 -18.68885919
0.00000103 -0.00056790 -0.00002209
0.01565612 -0.03532961 0.00766532
-3.29701259 -2.02316529 -20.32577319
0.00109989 -0.00027083 -0.00021819
-0.00214823 -0.00634596 0.00022401
2.90368612 2.55643346 -11.10606124
-0.00060356 -0.00094164 -0.00035040
0.00425813 0.00042534 0.03310950
1.84864253 2.42185342 -8.20644886
-0.00057094 0.00083024 -0.00001051
0.00691449 0.00287724 0.00075157
-2.36360522 16.87384830 12.71420379
-0.00053483 0.00051782 0.00006366
-0.00307567 -0.00551845 -0.01134848
-3.57178667 19.23035058 13.46280800
0.00061218 -0.00012708 -0.00079875
-0.00451957 0.02202399 0.02042189
-4.30083106 6.34199650 -12.46221965
-0.00118638 0.00126731 0.00004588
0.01047239 -0.02088492 0.00364335
-2.94880579 3.50873130 -12.08374772
0.00074793 -0.00068688 -0.00024911
-0.01174130 0.00723915 -0.01342741
-7.67163884 2.28581911 -7.46315300
-0.00022567 0.00002294 -0.00005532
-0.00743456 0.00346165 -0.01249738
-6.61002961 3.82061877 -9.55634009
0.00133337 -0.00043921 0.00053484
0.03389174 0.01737417 -0.02068965
1.96111563 28.23042282 6.82910043
0.00026212 -0.00010734 0.00072313
0.00047787 -0.00327189 0.01385912
0.28278595 27.51885015 9.07940184
0.00039405 0.00035169 0.00001942
-0.02654288 0.00939750 0.00829904
10.90220967 -6.78387328 -0.46213588
0.00003063 -0.00100187 0.00026260
-0.00359652 -0.00363475 -0.00832476
8.81195616 -7.46868464 -2.44001545
-0.00044329 0.00018752 -0.00096107
0.00295612 0.00065195 0.00333883
-7.03641330 0.21083475 6.31499633
0.00049055 0.00012993 -0.00011801
0.00102470 -0.00691142 0.00740437
-9.84439853 -0.61883855 6.92971119
0.00096043 -0.00106211 0.00008297
0.02330154 0.02773956 -0.01992146
21.59689399 10.39573691 10.25976778
0.00039497 -0.00051725 -0.00087484
-0.01299359 -0.00560050 -0.01197736
20.74730859 12.54332643 8.58611549
0.00067767 0.00050659 -0.00060410
-0.00504292 -0.02120703 -0.00607934
-1.62348888 -3.13495987 -26.06618604
-0.00013217 -0.00036192 -0.00119293
-0.00300479 -0.00263850 -0.00595605
-4.36597822 -2.28555255 -26.41818429
0.00105555 0.00022987 -0.00117983
-0.01940705 0.00191172 0.00786935
-14.40606288 7.09650079 8.95097717
0.00040538 0.00031344 0.00008446
-0.00413722 0.00645523 -0.00529997
-14.64001748 7.13898255 6.02089110
-0.00115796 0.00025468 0.00096554
-0.00144533 0.00617738 0.00441288
-11.23096316 6.61624369 -3.78255780
0.00021939 0.00010319 0.00092615
0.00573664 0.01260360 -0.00159229
-8.70144490 8.21919082 -3.63631310
0.00002558 0.00016778 0.00047752
-0.00780008 -0.00181030 -0.00650634
-1.09399095 -17.50261000 23.47172467
0.00043776 -0.00014676 -0.00026443
-0.01099607 0.01013755 0.00490418
-3.41722411 -15.73030027 24.50297524
-0.00148201 0.00071185 0.00044568
-0.02524876 -0.00750899 0.00339706
-3.14743103 5.60885911 -7.96944611
0.00061331 -0.00020520 -0.00045253
-0.00103747 -0.00329297 -0.01865422
-3.72223697 7.71772223 -6.13672918
0.00024047 0.00040183 -0.00025125
-0.02699272 0.02265613 0.00582450
-21.37901738 30.34752876 3.15301970
0.00136867 0.00110971 -0.00050546
0.00117172 0.00383891 0.02046594
-21.45128149 32.39381686 5.36508793
0.00035753 0.00024670 0.00025103
0.00658260 -0.02617052 -0.00370889
6.95511789 -0.37802509 6.31370673
0.00003318 0.00005938 -0.00080273
0.00505683 0.01903977 0.01859896
7.23249668 1.69244028 8.70324262
0.00073764 0.00026915 -0.00059503
-0.00728478 0.01054670 -0.01407641
6.61558995 12.63408862 -13.40846731
0.00009940 0.00082498 -0.00072208
0.01346997 0.00609441 -0.00188827
4.39360536 12.23096984 -15.22709540
-0.00020811 0.00000452 0.00030802
0.03368561 -0.02973132 0.03910475
14.51452043 4.14425764 -2.78941719
-0.00005145 -0.00109161 -0.00079497
0.00026230 0.00320659 0.00240587
15.25773107 1.36967358 -2.05530035
-0.00049969 -0.00028469 0.00035445
0.01272554 0.03071651 -0.00095619
-2.43832773 13.48623367 -0.48590163
-0.00010027 0.00025329 -0.00040143
-0.00491850 -0.00246689 0.00140818
-5.34318625 13.12013960 0.08232790
-0.00018148 -0.00038621 -0.00018966
-0.00289735 -0.00350062 0.01027865
3.74174506 11.06336383 3.61437772
0.00080368 0.00082149 -0.00054355
-0.00524410 -0.00790952 -0.00144452
6.32716348 12.37585485 3.62825540
0.00062946 -0.00031322 0.00017751
0.00673483 -0.00118859 -0.00482893
25.17686956 -13.42043905 -8.76839395
0.00068261 0.00057098 0.00009493
-0.00212206 -0.00700550 0.00672572
25.93688093 -11.62628728 -11.02672666
0.00045416 0.00004458 0.00126502
-0.01358344 -0.00476857 0.01327034
14.66833141 -3.97146107 -0.91915990
-0.00029497 -0.00052672 -0.00033882
0.01249406 0.00009784 0.00324536
17.22087570 -5.54190054 -0.80293578
-0.00041108 0.00095729 0.00003009
-0.00689077 -0.00140931 -0.00156286
11.78608667 8.08092641 11.38330560
0.00013065 0.00029379 0.00091565
0.02330551 -0.01371726 -0.01833290
12.81246468 9.59867109 9.17325219
0.00012628 -0.00015410 0.00029761
0.01359353 -0.00958297 -0.00153707
0.11204810 -14.35394593 17.02702717
-0.00051077 -0.00066575 0.00008446
-0.01127208 0.00186431 -0.00392976
1.71417460 -12.01268249 18.20443619
0.00048244 0.00022751 0.00051675
-0.00720950 -0.01968155 -0.00827588
-4.18772891 -2.12383217 -13.49407522
0.00041685 0.00029186 -0.00065999
-0.00051459 0.01003243 -0.00654227
-3.05207204 -0.65395904 -15.93882771
0.00043130 0.00080578 -0.00028986
-0.02951034 -0.00626670 0.02279559
14.60532493 -8.18219847 -10.96962614
-0.00134382 0.00095345 0.00030598
0.00364548 -0.01290891 0.03067790
15.86546100 -6.63297792 -9.03255897
-0.00012541 0.00003056 -0.00096249
0.03163234 0.04059269 0.00823863
7.35691437 -5.82146931 9.18607507
-0.00001467 -0.00047729 0.00073437
-0.02928256 0.02192408 0.00798274
9.34665343 -5.49944650 7.12547515
-0.00000889 -0.00101629 0.00065469
-0.00135744 -0.00491273 0.00431850
-20.86419185 2.35926077 20.89109301
-0.00040502 -0.00048062 -0.00020400
0.00493035 -0.01084701 -0.04136759
-21.83571818 0.55552242 23.17407268
0.00042884 -0.00014386 0.00035932
0.00019173 0.01444097 -0.01206612
26.36762212 -2.86160752 -6.02083956
-0.00003738 -0.00020259 -0.00050860
0.00559585 0.00088014 0.00119667
25.25706674 -1.44800411 -8.19549736
-0.00054438 0.00015637 0.00018218
0.00078922 0.00526799 -0.00489728
9.10491557 -15.79068247 -7.60735220
-0.00037574 0.00058488 0.00009812
-0.00736874 -0.01918218 -0.00019666
8.61418221 -12.91866725 -7.12310966
-0.00016485 0.00017983 -0.00019891
-0.00352975 0.00503699 0.00711385
-5.47994532 -10.92373801 17.86909117
-0.00073692 -0.00099542 -0.00014103
0.00201669 0.00127173 0.00331524
-7.02302358 -11.06010896 15.46690617
-0.00113061 -0.00070495 0.00047458
-0.00223534 0.00887932 -0.01698264
9.61660160 2.23501276 -29.59673392
-0.00161680 -0.00079471 0.00093607
-0.01123733 0.00027143 -0.01061459
6.86799424 3.08946848 -30.67768898
-0.00058048 0.00090699 -0.00038472
0.00072832 -0.01279629 0.00513098
12.52396117 14.73186081 14.69512157
0.00027385 0.00050926 0.00046808
0.00417808 0.00141803 -0.01850637
11.33123828 16.18125973 16.94313895
-0.00003526 -0.00081884 -0.00052261
-0.01276907 -0.00829887 -0.02796459
28.89729327 5.07839562 -4.49252448
0.00045784 -0.00005233 -0.00010959
0.00771994 -0.00971736 -0.00834684
26.77578793 6.66619137 -3.42929474
-0.00021766 -0.00054160 -0.00116925
0.00767109 0.00198465 0.00555478
-9.97098345 4.92054228 6.94451525
0.00003231 -0.00005530 -0.00015514
0.00171338 -0.00992796 -0.00920329
-8.66353709 13.23767237 2.58013738
-0.00004363 0.00008106 0.00004710
0.00167032 -0.00112156 -0.00632532
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09458062
0.33743848
449.61985776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3898836137 (a.u.)
total exchange computation time: 2.7160739899 s
-154.1954899742
-931.42784266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3896142446 (a.u.)
total exchange computation time: 2.7155117989 s
-154.1985921603
Anderson extrapolation: theta=1.3947709249 (1.3947709249)
-931.42805947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3891539332 (a.u.)
total exchange computation time: 2.7174239159 s
-154.2034415089
Anderson extrapolation: theta=0.0728547263 (0.0728547263)
-931.42819798
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3890528856 (a.u.)
total exchange computation time: 2.7170228958 s
-154.2042441654
Anderson extrapolation: theta=2.3403143817 (2.0000000000)
-931.42820634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3888302404 (a.u.)
total exchange computation time: 2.7151410580 s
-154.2059034071
Anderson extrapolation: theta=0.4130642090 (0.4130642090)
-931.42821743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3887410348 (a.u.)
total exchange computation time: 2.7159700394 s
-154.2064703582
Anderson extrapolation: theta=0.9166990256 (0.9166990256)
-931.42822055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3886787431 (a.u.)
total exchange computation time: 2.7176129818 s
-154.2067636834
Anderson extrapolation: theta=0.5232550750 (0.5232550750)
-931.42822275
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3886673727 (a.u.)
total exchange computation time: 2.7165889740 s
-154.2067013548
Anderson extrapolation: theta=0.7279752834 (0.7279752834)
-931.42822373
-71.836847 23.100571 143.108830
559.371716 1032.252022 -412.554846
487.534868 1055.352594 -269.446016
1193.340061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3886753144 (a.u.)
total exchange computation time: 2.7197761536 s
679.27222532
-1084.14120988
89.64161516
-388.91614587
-174.89603375
78.45527002
551.60419304
0.00000000
-931.42822435
3.90581909 -30.77109878 -2.27969203
0.00001604 0.00022271 0.00002836
0.00564197 -0.02430740 0.00564268
-11.80866635 -2.15283476 -9.14661729
0.00033781 0.00024178 -0.00012822
-0.00438540 0.02093473 -0.00933106
-37.44054841 2.44431189 -0.07555430
-0.00011198 0.00020042 0.00015054
0.03477935 -0.03520403 -0.00110444
-11.52558538 -3.97558406 3.85017035
-0.00018200 -0.00019460 -0.00010834
0.00145845 0.03882030 0.00676779
4.61869713 -3.87105172 9.48875161
-0.00035449 0.00001376 -0.00027296
0.00787374 0.02491249 -0.00176068
-31.89561243 -0.97588724 -0.65071999
0.00012980 0.00046774 0.00013695
-0.02649598 0.03628723 0.01272548
14.97087683 12.58368038 -14.03836919
-0.00028073 -0.00000816 0.00029666
0.01711504 -0.00059922 -0.02271407
-7.71583968 5.85569167 2.44514198
0.00007569 0.00023677 0.00014638
-0.00815285 0.02759381 0.05313216
7.45747285 12.55656591 -5.57233209
0.00024644 0.00012330 -0.00021343
-0.01155633 0.00194426 -0.02753460
8.92051704 9.82022281 -19.05579961
-0.00010195 0.00009121 0.00009317
-0.00722626 -0.01785781 -0.01743720
23.27342348 17.37915658 -2.11688921
0.00021416 -0.00016528 0.00000127
0.00591990 0.00137044 -0.00443895
2.24742544 16.90261687 -19.20425805
0.00023172 -0.00006276 -0.00036184
-0.02533006 0.03628573 -0.02931302
14.09289672 -1.43726621 -5.33831867
-0.00003944 0.00025820 -0.00015677
-0.02242385 0.00443702 -0.00028945
-16.10864752 -1.83155279 3.27300143
0.00000277 0.00030368 -0.00026411
-0.03198240 0.02187208 0.01596869
-16.99734143 -1.74338666 19.40667286
0.00019138 -0.00015989 -0.00030785
0.02272193 -0.01877555 -0.00859427
0.26053608 2.14075326 -5.13139140
0.00015537 -0.00022008 0.00026001
0.01688270 -0.03186706 -0.00663975
22.34410838 -7.17575206 -8.97489735
0.00041157 -0.00012840 0.00007397
-0.00688859 0.00993259 0.00483345
-0.46279037 -6.42999284 7.24129709
-0.00020770 0.00002877 0.00005381
-0.01749317 -0.01712030 0.00510937
-1.87748970 -1.49311155 -19.28405676
0.00010443 0.00031771 -0.00010877
-0.00771289 0.03227918 -0.00427311
3.36067396 2.24175411 -9.28160406
-0.00008218 -0.00022492 0.00001047
-0.01158679 0.00022249 -0.03209783
-3.69630177 18.03623868 12.14319187
-0.00016500 -0.00026538 0.00026583
-0.00149279 -0.01575889 -0.01709755
-3.72118922 4.98682869 -11.32177119
-0.00029550 0.00000048 0.00047377
0.00084395 0.00872785 -0.00372343
-8.16210590 3.24346140 -8.97504078
0.00012895 -0.00031819 -0.00004981
-0.02286503 -0.02110670 0.03016231
1.92933835 27.31197375 8.45256663
0.00049295 0.00018842 0.00010478
0.02395224 -0.00653126 -0.01369959
10.04368512 -6.18981936 -2.00166143
-0.00030643 0.00001301 0.00008120
0.00402598 0.00151125 0.01171984
-8.79701341 0.59556704 5.88451378
0.00005116 0.00036027 0.00010771
-0.03375805 -0.02107233 0.01597339
20.44007570 10.67132461 8.80989016
-0.00018621 0.00002635 0.00019289
0.01943139 0.03556858 0.01024960
-2.73962565 -2.15802991 -27.17143529
0.00041962 -0.00002892 0.00010493
0.03439247 0.00227549 -0.01154374
-14.29655775 6.06813536 7.46335987
-0.00002417 0.00007982 0.00025708
0.00475341 -0.01335575 0.00015500
-9.89060188 7.19217504 -2.67149839
0.00037692 0.00018816 0.00002075
0.00390095 -0.00703108 0.01209577
-1.70768720 -15.80378144 24.02516337
-0.00000064 0.00016435 -0.00056373
0.02634969 0.00173031 -0.00581596
-2.59637955 6.37287851 -6.43722771
-0.00004720 -0.00014431 0.00020389
0.02442985 -0.01411721 0.01346263
-20.32678288 31.09762869 4.56845912
0.00045003 -0.00008681 -0.00037095
-0.02271896 0.01346572 -0.00837306
7.56985818 0.02908622 8.09164610
0.00004435 0.00006818 -0.00013271
0.00136730 -0.02723960 -0.02002783
5.51772733 11.27398150 -13.90834487
0.00015547 0.00016436 0.00011515
-0.03996565 0.02706332 -0.02536238
15.82698233 3.16291708 -1.96649847
-0.00038186 -0.00038840 -0.00002648
-0.00807543 -0.03293485 0.00328986
-4.12111080 13.61930582 -1.17735386
-0.00026370 -0.00007229 0.00050918
0.00885772 -0.00368591 -0.01756733
4.55396274 12.70017051 3.30212748
-0.00016508 -0.00055274 -0.00009347
0.01414152 0.00892616 -0.00610448
24.81306049 -11.80411143 -9.49530540
0.00013198 0.00019281 -0.00030875
0.01629924 0.01437087 -0.02524140
16.41093460 -3.93961745 -0.37233799
0.00007895 0.00009031 -0.00012978
0.00123711 0.01505411 0.00111673
12.94233776 7.87091116 9.85591860
0.00011223 0.00005700 0.00016954
-0.03160034 0.02838894 0.03213462
1.70970826 -13.80181065 17.68793866
-0.00034402 -0.00016688 -0.00006501
0.02480995 0.01793037 0.01404974
-4.42690645 -0.64126601 -14.58189301
0.00009395 -0.00028990 0.00043105
0.04166661 0.00280317 -0.02010377
15.00395056 -8.15912319 -9.06257269
0.00028593 0.00038953 0.00027628
-0.03200280 -0.03564891 -0.04348410
8.83543532 -6.57041972 8.53742877
-0.00039617 -0.00032052 0.00012331
0.02971167 -0.02216433 -0.00763436
-21.34844148 2.25657905 22.57955822
0.00000641 0.00008647 0.00028028
-0.00674981 -0.00295304 0.05061202
25.84941851 -3.12781843 -7.76830182
-0.00006851 -0.00028249 -0.00035565
-0.00844200 0.00230621 0.00588430
9.83122864 -14.14058092 -7.67773221
-0.00000296 -0.00013151 -0.00029039
0.01805687 0.02810789 -0.01415338
-6.28194445 -12.11548370 16.72942736
-0.00041070 -0.00032656 0.00023532
0.00331603 -0.01245477 0.01450953
8.23857431 3.44375728 -29.49648675
0.00006437 0.00001264 0.00023510
-0.00810945 0.00362574 0.00188170
10.94361759 15.63212059 15.13991019
-0.00028884 -0.00027225 0.00029426
0.00415429 0.00061370 0.04649626
28.50236634 6.05586139 -3.02233623
0.00028874 -0.00015002 -0.00004829
-0.02499226 0.02228490 -0.00866361
5.30914568 -31.34602290 -3.37934417
0.00028278 0.00044990 -0.00008042
-0.00258212 0.00222755 0.00622551
4.03392350 -31.62280152 -0.63355010
-0.00067699 -0.00050351 -0.00013481
0.00320081 0.00939926 -0.00891958
-11.68229096 -3.85994845 -8.48488884
0.00022695 0.00075191 -0.00032661
-0.00568989 -0.00953256 -0.00877142
-12.62033926 -2.15670374 -10.80821630
-0.00011067 0.00023398 0.00059174
0.00792369 -0.00343639 0.01431941
-38.81257728 2.16017449 0.99468324
-0.00045926 0.00006984 -0.00033981
-0.02472993 -0.01012569 0.02477581
-37.75635637 3.99205417 -0.90834592
0.00016693 -0.00001020 0.00017813
-0.00614164 0.03071881 -0.01753591
-10.85216371 -5.56335621 3.45497139
-0.00023610 0.00035302 0.00063536
0.01329255 -0.04137023 -0.00686074
-10.04960197 -2.88968916 3.61492585
-0.00100825 0.00024462 0.00000129
-0.00824315 0.00245414 0.00383063
5.47851460 -2.27290125 8.88252786
-0.00068109 -0.00097468 -0.00088150
-0.01009813 -0.02248051 0.00878712
4.44219455 -3.49432108 11.29158028
0.00093587 -0.00003681 -0.00045597
0.00069182 -0.00844529 -0.00439908
-33.33057413 -2.11074360 -0.78384972
0.00015234 0.00075551 -0.00024119
-0.00284783 0.00637054 0.00591511
-32.55329878 0.68509608 0.03806039
-0.00041213 0.00030507 0.00132767
0.00631442 -0.03690736 -0.01102141
14.86951205 12.94904773 -15.91976957
-0.00065644 -0.00014002 -0.00115196
-0.00337218 -0.00314227 0.02830244
16.72186238 11.99149483 -13.77006048
-0.00175127 0.00012577 0.00089315
-0.01531123 0.00244957 -0.00144795
-8.42597192 7.05036718 1.32502777
-0.00044042 -0.00041142 -0.00005713
-0.00962369 0.01632894 -0.01218418
-7.18843815 4.62008457 1.33753788
-0.00105604 0.00037218 0.00013381
0.01861160 -0.04378259 -0.03622430
6.04529740 12.47401928 -6.81771730
-0.00018145 -0.00055767 0.00014307
0.02286536 0.00336982 0.01321208
8.87695138 13.66890471 -6.33916598
0.00087060 0.00014442 -0.00087981
-0.01681692 -0.00661051 0.00329807
8.90162138 9.03087147 -20.72171635
-0.00057199 -0.00018040 0.00071706
-0.01020592 0.00044071 0.00559140
10.67828197 10.26676625 -19.03322814
-0.00065671 0.00122366 -0.00076438
0.01387964 0.01573571 0.00981517
24.22931839 15.79369741 -2.67500993
-0.00028205 -0.00078983 -0.00043177
-0.01029019 0.02516157 0.01295605
24.49392423 18.78423436 -2.30057952
0.00122384 -0.00141958 -0.00050527
-0.00296331 -0.01051336 -0.00016458
1.79123261 17.31118236 -21.05841189
-0.00121032 -0.00076349 -0.00119886
0.00654538 -0.01567892 0.02985991
2.96493104 15.23310629 -19.14091717
-0.00121836 -0.00052706 0.00021770
0.01405327 -0.01327821 -0.00329360
12.97287343 -1.58062338 -6.79069779
-0.00070524 0.00204205 -0.00011965
0.00653796 0.00000386 -0.00966107
12.86035452 -1.06116083 -3.99726688
0.00046093 -0.00073296 0.00030786
0.01683769 -0.00256870 -0.00148302
-17.55712835 -3.02669247 3.54110959
0.00045749 0.00090919 -0.00042022
0.02820588 0.00187884 -0.00781585
-14.44851873 -2.53951402 3.15456707
0.00012294 0.00069146 0.00104359
0.00370446 -0.02116051 0.00058091
-16.33068641 -0.04228669 19.84584038
0.00071763 -0.00059712 -0.00039998
0.00132452 -0.01306168 0.00670009
-15.59886238 -3.01817503 19.50486081
-0.00012669 -0.00014637 -0.00063160
-0.02101504 0.02886346 0.00494279
-0.75772240 0.54521349 -5.08558360
0.00021752 -0.00005667 -0.00062404
-0.00195011 0.02186047 0.00252355
-0.79046894 3.55459593 -4.79552524
0.00040449 0.00025992 -0.00020096
-0.02095247 0.01099486 0.00035920
23.33996608 -8.63184439 -9.22684953
-0.00033431 0.00017263 -0.00028138
0.00281077 -0.03436034 -0.00576442
23.63765138 -6.06921876 -8.38743088
-0.00004752 0.00072427 -0.00038941
0.00679219 0.02587644 0.00723666
0.55116551 -5.97830032 5.78701463
-0.00008956 0.00021206 -0.00020972
0.00445323 0.01087531 0.00290793
-0.43290852 -5.19604842 8.57460519
0.00038964 0.00025081 -0.00030681
0.01013505 0.00168722 -0.00422688
-1.04525970 -2.93789507 -18.68895559
0.00005920 -0.00069949 0.00000502
0.01282116 -0.02908131 0.00560401
-3.28058010 -2.02742221 -20.32903921
0.00108395 -0.00029716 -0.00022214
-0.00565597 -0.00654172 -0.00215759
2.89476317 2.54232194 -11.11030272
-0.00058398 -0.00093986 -0.00021226
0.00532873 0.00044513 0.03451514
1.84029029 2.43439516 -8.20658351
-0.00053706 0.00084046 -0.00001000
0.00966900 0.00212770 -0.00049906
-2.37172188 16.88144648 12.71481093
-0.00053979 0.00048710 0.00001999
0.00064839 -0.00951795 -0.01002547
-3.56274241 19.22911927 13.45145257
0.00059350 -0.00002905 -0.00070794
-0.00462621 0.02596281 0.02403161
-4.31830581 6.36036619 -12.46141974
-0.00113721 0.00116811 0.00007149
0.01359409 -0.02767413 0.00888841
-2.93794662 3.49864997 -12.08789588
0.00069157 -0.00064158 -0.00029665
-0.01584680 0.01493411 -0.00984243
-7.67525168 2.28626926 -7.46436573
-0.00025566 0.00003472 -0.00010250
-0.00724647 0.00230624 -0.01059625
-6.58899057 3.81456302 -9.54895149
0.00145616 -0.00037377 0.00045560
0.02621827 0.01466086 -0.01809880
1.96506211 28.22871246 6.84037204
0.00026494 -0.00011614 0.00077043
0.00090234 -0.00103583 0.00929615
0.28788336 27.52441345 9.07994746
0.00028799 0.00038964 0.00005293
-0.02537343 0.00917881 0.00810468
10.90255897 -6.79901266 -0.45845196
0.00001149 -0.00101404 0.00022177
-0.00577266 -0.00232337 -0.01166001
8.80539734 -7.46585180 -2.45432913
-0.00042882 0.00019194 -0.00094595
0.00412776 0.00150989 0.00406290
-7.02902371 0.21257191 6.31345306
0.00048978 0.00010355 -0.00008952
-0.00140173 -0.00600307 0.00654431
-9.82927798 -0.63392021 6.93034527
0.00105581 -0.00094512 -0.00000025
0.02338582 0.02952866 -0.02081371
21.60242037 10.38780647 10.24627810
0.00034468 -0.00053982 -0.00091953
-0.01162128 -0.00544779 -0.00989517
20.75731912 12.55027550 8.57686778
0.00065517 0.00041285 -0.00062682
-0.00597016 -0.02468031 -0.00504329
-1.62556357 -3.14046951 -26.08426249
-0.00013733 -0.00037881 -0.00120875
0.00048317 -0.00562856 -0.00178944
-4.35073963 -2.28204589 -26.43564065
0.00095855 0.00023623 -0.00113936
-0.02807506 0.00120266 0.01194268
-14.40010896 7.10140019 8.95208161
0.00038876 0.00033930 0.00006441
-0.00399775 0.00620392 -0.00451327
-14.65743123 7.14299200 6.03550939
-0.00116429 0.00028095 0.00097988
-0.00165180 0.00668313 0.00260849
-11.22749660 6.61817770 -3.76871428
0.00023853 0.00015299 0.00091527
0.00363615 0.01177769 -0.00373412
-8.70130017 8.22165204 -3.62934964
-0.00000240 0.00016352 0.00044679
-0.00589903 -0.00027707 -0.00853850
-1.08776145 -17.50450083 23.46790848
0.00038995 -0.00010276 -0.00024303
-0.01240655 0.01140544 0.00557181
-3.44022793 -15.71985265 24.50976450
-0.00155437 0.00067829 0.00045071
-0.01017147 -0.00891756 -0.00093207
-3.13826312 5.60568027 -7.97680575
0.00061064 -0.00021495 -0.00052307
-0.00027030 -0.00148355 -0.01587289
-3.71945706 7.72444397 -6.14031952
0.00013239 0.00049102 -0.00022892
-0.02591383 0.02099991 0.00510986
-21.35845148 30.36429209 3.14606499
0.00136822 0.00112152 -0.00042748
-0.00139173 0.00194122 0.01770329
-21.44571688 32.39671546 5.36873967
0.00038794 0.00013513 0.00023222
0.00830529 -0.02844630 -0.00549608
6.95577060 -0.37655097 6.30223569
0.00005557 0.00013829 -0.00072078
0.00590123 0.01958659 0.02151486
7.24333811 1.69680069 8.69388590
0.00070763 0.00031384 -0.00065186
-0.00740618 0.01133135 -0.01374635
6.61749378 12.64665000 -13.41935642
0.00015280 0.00084643 -0.00073027
0.01266785 0.00440613 -0.00211967
4.39151592 12.23012656 -15.22127678
-0.00007129 -0.00011726 0.00046684
0.03329129 -0.02988140 0.03863882
14.51375664 4.12798168 -2.80126805
-0.00005234 -0.00107595 -0.00078662
-0.00069630 0.00446135 0.00168089
15.25062566 1.36634448 -2.05001291
-0.00044769 -0.00016123 0.00035057
0.01272882 0.02971947 -0.00094072
-2.43998245 13.48995742 -0.49187994
-0.00011827 0.00024232 -0.00039324
-0.00389525 -0.00290316 0.00260243
-5.34599720 13.11423917 0.07979798
-0.00019570 -0.00040207 -0.00014278
-0.00406542 -0.00426057 0.01267093
3.75363957 11.07544375 3.60618022
0.00077354 0.00077025 -0.00054560
-0.00950993 -0.01717033 0.00043900
6.33681178 12.37112007 3.63077003
0.00064552 -0.00031645 0.00015550
0.00112369 -0.00039220 -0.00594271
25.18704372 -13.41208900 -8.76676392
0.00067329 0.00054163 0.00012356
-0.00244344 -0.00736239 0.00728919
25.94327706 -11.62576470 -11.00734477
0.00040470 0.00002713 0.00130892
-0.01062523 -0.00377457 0.00821867
14.66428974 -3.97935890 -0.92414271
-0.00023807 -0.00052548 -0.00032330
0.01535910 0.00050823 0.00435190
17.21449835 -5.52758438 -0.80253227
-0.00043239 0.00093922 0.00002088
-0.00353869 -0.00743532 -0.00294750
11.78876059 8.08491290 11.39647852
0.00022872 0.00023680 0.00083597
0.02469757 -0.01418120 -0.02067111
12.81477546 9.59606592 9.17766919
0.00018142 -0.00018984 0.00028989
0.01339787 -0.00791002 -0.00223924
0.10404112 -14.36387510 17.02817372
-0.00055421 -0.00065545 0.00006994
-0.00999145 0.00317688 -0.00318015
1.72119028 -12.00987295 18.21193384
0.00045117 0.00014023 0.00048039
-0.00809886 -0.02304448 -0.00952245
-4.18149193 -2.11914679 -13.50417556
0.00041665 0.00032052 -0.00067809
0.00041524 0.00399440 -0.00231673
-3.04650677 -0.64206441 -15.94247707
0.00030590 0.00077887 -0.00019182
-0.03187482 -0.00690393 0.02519628
14.58527927 -8.16829224 -10.96409635
-0.00132753 0.00089880 0.00043316
0.00433023 -0.01384240 0.03157770
15.86454910 -6.63127564 -9.04674380
0.00000906 0.00020448 -0.00092768
0.03419255 0.04454310 0.00879663
7.35579708 -5.82795687 9.19733524
-0.00013488 -0.00038627 0.00076633
-0.02956333 0.02263367 0.00766144
9.34647843 -5.51484140 7.13542783
-0.00001276 -0.00102949 0.00066462
-0.00053369 -0.00154939 0.00054437
-20.87011614 2.35171904 20.88676541
-0.00038710 -0.00052491 -0.00036582
0.00384417 -0.01083193 -0.03784574
-21.82927965 0.55380709 23.17909276
0.00042944 -0.00008340 0.00031013
0.00010103 0.01515470 -0.01201525
26.36723284 -2.86461942 -6.02843187
-0.00001380 -0.00019936 -0.00050194
0.00595084 0.00070324 0.00206403
25.24892519 -1.44549709 -8.19291473
-0.00053899 0.00017202 0.00016274
0.00184867 0.00238975 -0.00461659
9.09905366 -15.78249711 -7.60588638
-0.00040747 0.00049944 0.00009756
-0.00816498 -0.02264043 -0.00008094
8.61160136 -12.91581542 -7.12587529
-0.00017476 0.00019728 -0.00017155
-0.00132293 0.00350455 0.00627992
-5.49093733 -10.93863033 17.86707734
-0.00072336 -0.00098161 -0.00012017
0.00461970 0.00548644 0.00689359
-7.04005129 -11.07041115 15.47350448
-0.00113959 -0.00066822 0.00040539
-0.00215917 0.00910341 -0.01688629
9.59200518 2.22310050 -29.58301820
-0.00165363 -0.00080109 0.00089184
-0.00678907 -0.00339727 -0.01103447
6.85930930 3.10268126 -30.68330257
-0.00057011 0.00085601 -0.00035703
0.00435123 -0.01215893 0.00842263
12.52819691 14.73954315 14.70157569
0.00029053 0.00051451 0.00039117
0.00398657 0.00115388 -0.01914001
11.33031807 16.16872286 16.93444293
-0.00008687 -0.00084845 -0.00062686
-0.01249191 -0.00619742 -0.02306651
28.90439745 5.07731289 -4.49442408
0.00049034 -0.00009222 -0.00014268
0.00818808 -0.00980926 -0.00785375
26.77275811 6.65812814 -3.44666324
-0.00018028 -0.00053485 -0.00114341
0.01062632 0.00132293 0.00709446
-9.97049413 4.91968614 6.94216338
0.00003291 -0.00005880 -0.00015839
0.00161115 -0.00964120 -0.00893226
-8.66418857 13.23888626 2.58083289
-0.00004324 0.00008079 0.00004567
0.00161493 -0.00115263 -0.00604811
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09469187
0.33353248
444.41530411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3948425877 (a.u.)
total exchange computation time: 2.6270639896 s
-154.2116731821
-931.42389563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3944644824 (a.u.)
total exchange computation time: 2.6295921803 s
-154.2156228719
Anderson extrapolation: theta=1.3499255086 (1.3499255086)
-931.42410699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3938561033 (a.u.)
total exchange computation time: 2.6287360191 s
-154.2215662890
Anderson extrapolation: theta=0.0551458321 (0.0551458321)
-931.42423352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3937438188 (a.u.)
total exchange computation time: 2.6288030148 s
-154.2224240830
Anderson extrapolation: theta=2.0226355170 (2.0000000000)
-931.42423861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3934941624 (a.u.)
total exchange computation time: 2.6279819012 s
-154.2242407919
Anderson extrapolation: theta=0.2545539207 (0.2545539207)
-931.42424417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3934244068 (a.u.)
total exchange computation time: 2.6295690536 s
-154.2246689554
Anderson extrapolation: theta=1.7703582651 (1.7703582651)
-931.42424524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3933216652 (a.u.)
total exchange computation time: 2.6288020611 s
-154.2252095335
Anderson extrapolation: theta=0.3148542518 (0.3148542518)
-931.42424630
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3933111735 (a.u.)
total exchange computation time: 2.6275179386 s
-154.2251715989
Anderson extrapolation: theta=1.2346285258 (1.2346285258)
-931.42424650
-71.832096 23.169280 143.026716
559.357842 1032.256446 -412.582532
487.525746 1055.425726 -269.555817
1193.425806
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3933150524 (a.u.)
total exchange computation time: 2.6296849251 s
679.34233181
-1084.30174269
89.64172250
-388.80545134
-174.90779173
78.54460196
551.60419304
0.00000000
-931.42424651
3.90608146 -30.76785194 -2.27924489
0.00001913 0.00020999 0.00003118
0.00637725 -0.02516172 0.00533902
-11.80361606 -2.14912727 -9.14857664
0.00033583 0.00025323 -0.00013256
-0.00332299 0.02357758 -0.00753767
-37.44209401 2.44718233 -0.07330039
-0.00009412 0.00018197 0.00015032
0.03469896 -0.03653121 0.00023774
-11.52830975 -3.97835336 3.84857132
-0.00018246 -0.00017378 -0.00010440
-0.00324051 0.04213225 0.00857128
4.61341008 -3.87074929 9.48465036
-0.00035080 0.00002546 -0.00027410
0.00648894 0.02060110 -0.00265839
-31.89376763 -0.96873113 -0.64861663
0.00011610 0.00048700 0.00014388
-0.02676608 0.03859442 0.01421239
14.96673188 12.58355572 -14.03400696
-0.00027450 -0.00000736 0.00028306
0.00713179 0.00369468 -0.03016077
-7.71473572 5.85934970 2.44754262
0.00007140 0.00025143 0.00017405
-0.00854015 0.02940713 0.05448153
7.46112494 12.55842291 -5.57563975
0.00024075 0.00012446 -0.00022773
-0.01058784 0.00256529 -0.02805573
8.91895986 9.82152204 -19.05446933
-0.00010609 0.00008234 0.00008497
-0.00885774 -0.01661627 -0.01443575
23.27665866 17.37668263 -2.11688722
0.00021723 -0.00016529 -0.00000115
0.00602173 -0.00139275 -0.00498660
2.25080355 16.90181543 -19.20979875
0.00021824 -0.00004394 -0.00037767
-0.02711250 0.03688869 -0.03224224
14.09221860 -1.43337602 -5.34067129
-0.00005103 0.00026036 -0.00015752
-0.02263029 0.00395715 -0.00262800
-16.10872938 -1.82691318 3.26910131
-0.00001294 0.00031580 -0.00025610
-0.02908019 0.02524067 0.01521450
-16.99438309 -1.74585742 19.40202191
0.00020270 -0.00016954 -0.00031237
0.02129210 -0.01875392 -0.00896857
0.26293179 2.13732915 -5.12751682
0.00016409 -0.00023576 0.00025656
0.01701422 -0.02909890 -0.00677371
22.35025536 -7.17763969 -8.97376918
0.00040721 -0.00012204 0.00007666
-0.01006358 0.01479149 0.00563325
-0.46597329 -6.42962734 7.24212401
-0.00021627 0.00002012 0.00005576
-0.01584102 -0.01652568 0.00247116
-1.87595301 -1.48822146 -19.28570477
0.00010215 0.00033252 -0.00010967
-0.00115827 0.02533191 0.00076912
3.35939662 2.23838118 -9.28157088
-0.00008897 -0.00022470 -0.00000585
-0.01482850 0.00062422 -0.03135088
-3.69878253 18.03219718 12.14711342
-0.00016674 -0.00027322 0.00025601
-0.00527467 -0.01471702 -0.02110231
-3.72561849 4.98686957 -11.31467907
-0.00029475 0.00000469 0.00046986
0.00208198 0.00763689 -0.01144737
-8.16025978 3.23860712 -8.97567156
0.00011932 -0.00032787 -0.00003566
-0.01459679 -0.01654276 0.02487205
1.93682494 27.31477487 8.45408550
0.00050452 0.00018451 0.00009912
0.02105744 -0.00865854 -0.00830836
10.03910416 -6.18961840 -2.00039825
-0.00030413 0.00001324 0.00008782
0.00493965 -0.00060696 0.01404341
-8.79637627 0.60088985 5.88619097
0.00003460 0.00034887 0.00011625
-0.03062060 -0.02326045 0.01726821
20.43735752 10.67185700 8.81282300
-0.00017646 0.00004533 0.00019729
0.01849186 0.03823581 0.00688561
-2.73319868 -2.15845500 -27.16990590
0.00043836 -0.00002670 0.00009695
0.03846928 0.00636814 -0.01946060
-14.29690199 6.06928119 7.46721669
-0.00002169 0.00007291 0.00025743
0.00489362 -0.01353446 0.00118414
-9.88493298 7.19497038 -2.67114044
0.00037891 0.00018432 0.00002808
0.00383709 -0.00792471 0.01639358
-1.70759511 -15.80130949 24.01668495
0.00000952 0.00016540 -0.00056577
0.01315958 0.00233568 -0.00212299
-2.59699331 6.37065936 -6.43411741
-0.00003535 -0.00015143 0.00021022
0.02164702 -0.01354535 0.01112958
-20.32012011 31.09637846 4.56286262
0.00043866 -0.00007906 -0.00037390
-0.02148227 0.01666366 -0.00312409
7.57052863 0.03000385 8.08957814
0.00004484 0.00005399 -0.00014363
0.00055922 -0.02792551 -0.02241348
5.51990528 11.27655131 -13.90671545
0.00013553 0.00017863 0.00010243
-0.03759412 0.02842193 -0.02410735
15.82122325 3.15696403 -1.96688293
-0.00038569 -0.00040513 -0.00002459
-0.00680534 -0.03210560 0.00404888
-4.12503211 13.61820727 -1.16978392
-0.00025913 -0.00007392 0.00049925
0.00890411 -0.00265550 -0.02103490
4.55154106 12.69191386 3.30070184
-0.00015520 -0.00054568 -0.00009690
0.02428283 0.01852693 -0.00720440
24.81510302 -11.80116380 -9.50003407
0.00013951 0.00019983 -0.00032029
0.01297734 0.01290879 -0.01963873
16.41212363 -3.93820478 -0.37428040
0.00007804 0.00009948 -0.00012906
-0.00478464 0.02062042 0.00168203
12.94389934 7.87187571 9.85858563
0.00009581 0.00007111 0.00018665
-0.03227141 0.02647921 0.03439586
1.70464368 -13.80424463 17.68701778
-0.00033140 -0.00015735 -0.00005778
0.02425891 0.01909644 0.01403524
-4.42533651 -0.64560373 -14.57550480
0.00011551 -0.00028664 0.00041901
0.04218366 0.00989453 -0.02671432
15.00811603 -8.15341777 -9.05859625
0.00026892 0.00037095 0.00025379
-0.03414790 -0.03660265 -0.04398197
8.82960734 -6.57531298 8.53924896
-0.00038140 -0.00033278 0.00012063
0.02774827 -0.02551003 -0.00279342
-21.34837140 2.25786465 22.58395759
0.00000344 0.00008490 0.00030485
-0.00479049 -0.00314995 0.04494591
25.84835829 -3.13204686 -7.77361391
-0.00007316 -0.00028049 -0.00035295
-0.00964727 0.00547250 0.00462370
9.83125382 -14.14244508 -7.68214268
0.00000596 -0.00011592 -0.00029743
0.01663738 0.03251893 -0.01322457
-6.28809212 -12.12043019 16.73301307
-0.00040969 -0.00033395 0.00024166
0.00060359 -0.01626864 0.01017695
8.23950857 3.44396083 -29.49295304
0.00005811 0.00001532 0.00023533
-0.01624614 0.00678693 -0.00096582
10.93930101 15.62803923 15.14450339
-0.00028663 -0.00027246 0.00031667
0.00442526 -0.00143767 0.04067452
28.50660109 6.05369711 -3.02309400
0.00027513 -0.00013840 -0.00005333
-0.02793930 0.02287890 -0.01094047
5.31330820 -31.33920611 -3.38035971
0.00027073 0.00045911 -0.00005368
-0.00331442 0.00227954 0.00686535
4.02386669 -31.63006608 -0.63584559
-0.00066325 -0.00046410 -0.00017263
0.00352574 0.00989147 -0.00959332
-11.67906106 -3.84896191 -8.49005684
0.00020424 0.00070663 -0.00035917
-0.00542665 -0.01263385 -0.00716303
-12.62175648 -2.15329930 -10.79890137
-0.00008129 0.00022070 0.00064350
0.00645852 -0.00306512 0.01101641
-38.82022401 2.16091186 0.99034533
-0.00055945 0.00002884 -0.00023989
-0.02431507 -0.00994677 0.02413633
-37.75404055 3.99284243 -0.90621131
0.00014121 0.00011742 0.00010517
-0.00645089 0.03175412 -0.01817922
-10.85529796 -5.55932866 3.46429152
-0.00017731 0.00017493 0.00060482
0.01548906 -0.04580378 -0.00808795
-10.06497829 -2.88594463 3.61506263
-0.00103665 0.00025732 0.00001578
-0.00566192 0.00376139 0.00326125
5.46798885 -2.28821034 8.86957462
-0.00071871 -0.00105880 -0.00084804
-0.00831770 -0.01869510 0.00759351
4.45625373 -3.49513207 11.28460588
0.00093741 -0.00006983 -0.00046934
0.00006623 -0.00771588 -0.00214538
-33.32837624 -2.09921567 -0.78728632
0.00013880 0.00077898 -0.00021726
-0.00378364 0.00511591 0.00580085
-32.55928722 0.68854113 0.05763775
-0.00038384 0.00015133 0.00127984
0.00753220 -0.03834689 -0.01239432
14.85956211 12.94685110 -15.93618173
-0.00066826 -0.00015575 -0.00102315
-0.00241312 -0.00455442 0.03475268
16.69512417 11.99345641 -13.75670759
-0.00179584 0.00013049 0.00088846
-0.00650590 -0.00013857 -0.00084893
-8.43287314 7.04469624 1.32379746
-0.00048074 -0.00034278 -0.00010688
-0.01011436 0.01727145 -0.01216860
-7.20370847 4.62432568 1.33843493
-0.00097785 0.00018759 -0.00001748
0.01966508 -0.04657692 -0.03782908
6.04327628 12.46575745 -6.81516641
-0.00008703 -0.00054305 0.00019701
0.02335453 0.00378850 0.01319341
8.88949512 13.67086841 -6.35226207
0.00079823 0.00011553 -0.00086448
-0.01861289 -0.00753192 0.00420406
8.89272884 9.02817900 -20.71078917
-0.00061373 -0.00018157 0.00073398
-0.01022652 -0.00101304 0.00269105
10.66885657 10.28560340 -19.04439310
-0.00059632 0.00128870 -0.00072435
0.01568504 0.01610037 0.00977971
24.22477235 15.78262105 -2.68108942
-0.00032562 -0.00068533 -0.00037724
-0.01103715 0.02598875 0.01373679
24.51219102 18.76261853 -2.30816361
0.00121235 -0.00145821 -0.00050543
-0.00265902 -0.00839493 0.00008436
1.77327836 17.29924956 -21.07547985
-0.00118040 -0.00082826 -0.00107064
0.00810029 -0.01602596 0.03290514
2.94708622 15.22479347 -19.13775267
-0.00116049 -0.00058163 0.00020384
0.01427403 -0.01343490 -0.00348712
12.96249512 -1.54999259 -6.79278852
-0.00067602 0.00204162 -0.00015635
0.00776544 -0.00021067 -0.00830364
12.86778450 -1.07223393 -3.99269437
0.00052792 -0.00074219 0.00030389
0.01595044 -0.00194810 -0.00046432
-17.54940174 -3.01299699 3.53456680
0.00056607 0.00091060 -0.00045068
0.02494878 -0.00119149 -0.00709503
-14.44656111 -2.52979057 3.17023877
0.00013902 0.00060369 0.00104539
0.00416881 -0.02180326 0.00029772
-16.31988143 -0.05164367 19.84004597
0.00072279 -0.00064738 -0.00037203
0.00120101 -0.01154255 0.00698148
-15.60140676 -3.01948619 19.49553833
-0.00020932 -0.00003171 -0.00061099
-0.01943099 0.02726412 0.00514480
-0.75451935 0.54503332 -5.09486681
0.00020768 0.00003081 -0.00061269
-0.00286752 0.02096236 0.00303145
-0.78504366 3.55883163 -4.79852860
0.00032023 0.00030165 -0.00019996
-0.02029312 0.00943414 0.00013050
23.33503751 -8.63030784 -9.23124689
-0.00031628 0.00002603 -0.00030561
0.00601483 -0.03740337 -0.00609671
23.63714669 -6.05756173 -8.39305032
-0.00001994 0.00082676 -0.00036086
0.00670847 0.02429423 0.00674113
0.54995856 -5.97478616 5.78395800
-0.00007382 0.00025448 -0.00019481
0.00325088 0.00989014 0.00438799
-0.42675334 -5.19223453 8.56987355
0.00043055 0.00025831 -0.00032210
0.00989185 0.00198509 -0.00325797
-1.04397877 -2.94927850 -18.68870854
0.00010497 -0.00080376 0.00002307
0.00958012 -0.02196110 0.00323019
-3.26449424 -2.03208005 -20.33243746
0.00105405 -0.00032427 -0.00023568
-0.00897758 -0.00672859 -0.00446872
2.88616680 2.52823770 -11.11242890
-0.00056042 -0.00093776 -0.00007004
0.00620226 0.00058424 0.03510060
1.83253063 2.44706731 -8.20674875
-0.00049224 0.00084756 -0.00001436
0.01227362 0.00134558 -0.00163767
-2.37979881 16.88846135 12.71480364
-0.00052917 0.00043995 -0.00001800
0.00454690 -0.01356325 -0.00857322
-3.55398167 19.22947912 13.44156994
0.00057445 0.00008311 -0.00060450
-0.00469796 0.02893959 0.02660221
-4.33494743 6.37703983 -12.46007509
-0.00107622 0.00104341 0.00011678
0.01626164 -0.03337011 0.01328313
-2.92805864 3.48948389 -12.09264723
0.00061922 -0.00056670 -0.00033010
-0.01957012 0.02172269 -0.00653004
-7.67930863 2.28686074 -7.46622786
-0.00028453 0.00004136 -0.00014116
-0.00688734 0.00094543 -0.00833038
-6.56634470 3.80940578 -9.54267209
0.00154558 -0.00032006 0.00038749
0.01755183 0.01162657 -0.01524036
1.96906389 28.22693861 6.85221338
0.00026949 -0.00011536 0.00079825
0.00132481 0.00141855 0.00431900
0.29142574 27.53053929 9.08098979
0.00018896 0.00042638 0.00008481
-0.02310487 0.00880846 0.00749837
10.90255449 -6.81429443 -0.45548263
-0.00001613 -0.00102094 0.00016806
-0.00774875 -0.00105335 -0.01463261
8.79909148 -7.46292642 -2.46839381
-0.00040969 0.00019977 -0.00092790
0.00523594 0.00232367 0.00477050
-7.02172003 0.21394116 6.31231087
0.00047901 0.00008101 -0.00006461
-0.00386678 -0.00502721 0.00564754
-9.81272420 -0.64719216 6.92970375
0.00115027 -0.00082212 -0.00008601
0.02285043 0.03067916 -0.02116539
21.60723453 10.37954216 10.23218198
0.00030060 -0.00056189 -0.00095517
-0.00996062 -0.00535523 -0.00755018
20.76696376 12.55571200 8.56731098
0.00062908 0.00030634 -0.00064536
-0.00680130 -0.02745814 -0.00403118
-1.62760866 -3.14632411 -26.10244860
-0.00012797 -0.00040836 -0.00120741
0.00409635 -0.00883678 0.00244832
-4.33722165 -2.27846552 -26.45236510
0.00082767 0.00023980 -0.00108319
-0.03599339 0.00054201 0.01555326
-14.39440005 7.10667980 8.95290945
0.00037277 0.00036403 0.00004758
-0.00383129 0.00590345 -0.00372257
-14.67494621 7.14741103 6.05028754
-0.00117145 0.00030902 0.00098707
-0.00185308 0.00705898 0.00091112
-11.22380719 6.62083353 -3.75509962
0.00024877 0.00019926 0.00089559
0.00137291 0.01087072 -0.00590220
-8.70151697 8.22409628 -3.62290947
-0.00002251 0.00016563 0.00040783
-0.00394290 0.00131127 -0.01053308
-1.08229230 -17.50569266 23.46443376
0.00033688 -0.00005434 -0.00021917
-0.01357224 0.01229475 0.00610842
-3.46385513 -15.70995155 24.51649663
-0.00156729 0.00063898 0.00043837
0.00384756 -0.01032363 -0.00510883
-3.12911179 5.60241051 -7.98513818
0.00061132 -0.00021690 -0.00058136
0.00060225 0.00053233 -0.01266045
-3.71826532 7.73245271 -6.14359669
0.00003028 0.00057147 -0.00020988
-0.02406650 0.01838514 0.00420793
-21.33797087 30.38117440 3.14019524
0.00135648 0.00112491 -0.00036196
-0.00435326 -0.00028480 0.01436842
-21.43964327 32.39787070 5.37205458
0.00042452 0.00001544 0.00020674
0.00959843 -0.03014223 -0.00697561
6.95678497 -0.37387647 6.29208321
0.00008104 0.00021899 -0.00062801
0.00656763 0.01991840 0.02390002
7.25372563 1.70185555 8.68368670
0.00067737 0.00036088 -0.00070755
-0.00740682 0.01169555 -0.01351241
6.62017397 12.65948142 -13.43037543
0.00020250 0.00086036 -0.00073955
0.01165994 0.00241631 -0.00242267
4.39146678 12.22745195 -15.21309014
0.00006249 -0.00023856 0.00062217
0.03219483 -0.02949457 0.03739589
14.51295018 4.11197914 -2.81301589
-0.00005694 -0.00105532 -0.00078115
-0.00155448 0.00563551 0.00099704
15.24430035 1.36483678 -2.04478312
-0.00039626 -0.00004365 0.00034672
0.01244851 0.02783595 -0.00094578
-2.44187589 13.49350324 -0.49769876
-0.00013189 0.00022958 -0.00038020
-0.00277292 -0.00333112 0.00377914
-5.34905729 13.10807762 0.07804461
-0.00021425 -0.00042085 -0.00008673
-0.00501201 -0.00493258 0.01476620
3.76495125 11.08647136 3.59800962
0.00072555 0.00068021 -0.00053978
-0.01397962 -0.02690699 0.00241121
6.34652895 12.36636126 3.63292045
0.00063914 -0.00031661 0.00012903
-0.00424570 0.00031596 -0.00701323
25.19706813 -13.40419016 -8.76468717
0.00066243 0.00051162 0.00015417
-0.00287012 -0.00732633 0.00769607
25.94902201 -11.62547344 -10.98745919
0.00036847 0.00001392 0.00133105
-0.00710909 -0.00269330 0.00261544
14.66118938 -3.98722558 -0.92885881
-0.00017055 -0.00052248 -0.00030354
0.01768947 0.00096190 0.00532002
17.20790413 -5.51372391 -0.80230940
-0.00043971 0.00089618 0.00000591
-0.00004716 -0.01363429 -0.00437985
11.79294812 8.08803028 11.40838458
0.00033140 0.00017821 0.00074798
0.02556905 -0.01449573 -0.02239708
12.81790736 9.59297597 9.18194895
0.00023563 -0.00021818 0.00027919
0.01313649 -0.00596616 -0.00300049
0.09542180 -14.37360958 17.02912537
-0.00059174 -0.00063970 0.00005871
-0.00837763 0.00453644 -0.00231689
1.72770960 -12.00847572 18.21884789
0.00041633 0.00004080 0.00043942
-0.00895171 -0.02562579 -0.01053253
-4.17522950 -2.11421661 -13.51441788
0.00042047 0.00032358 -0.00067841
0.00145816 -0.00249606 0.00215787
-3.04289499 -0.63059290 -15.94458225
0.00017235 0.00074934 -0.00008539
-0.03349952 -0.00755085 0.02689880
14.56549900 -8.15523435 -10.95663129
-0.00130864 0.00084055 0.00056287
0.00491933 -0.01467162 0.03191623
15.86573273 -6.62684349 -9.06038951
0.00015151 0.00039012 -0.00089104
0.03553786 0.04632932 0.00914360
7.35286797 -5.83305729 9.20906495
-0.00025375 -0.00029361 0.00079583
-0.02862605 0.02272193 0.00677875
9.34627073 -5.53033125 7.14541387
-0.00001297 -0.00102868 0.00065870
0.00042695 0.00194658 -0.00344209
-20.87580483 2.34351347 20.88011839
-0.00037445 -0.00056913 -0.00051005
0.00234544 -0.01081480 -0.03275695
-21.82283493 0.55302053 23.18337648
0.00042939 -0.00002105 0.00026158
-0.00012425 0.01536648 -0.01174993
26.36720826 -2.86758823 -6.03589770
0.00001116 -0.00019683 -0.00049191
0.00626338 0.00053208 0.00284524
25.24089693 -1.44284360 -8.19061504
-0.00052923 0.00017587 0.00014446
0.00293075 -0.00050561 -0.00433447
9.09269134 -15.77569930 -7.60442551
-0.00044179 0.00040158 0.00009742
-0.00863467 -0.02525995 0.00001338
8.60893943 -12.91274881 -7.12825604
-0.00017555 0.00020831 -0.00014766
0.00093744 0.00189599 0.00541389
-5.50164623 -10.95318641 17.86548599
-0.00069923 -0.00095063 -0.00008474
0.00719405 0.00968192 0.01045125
-7.05721133 -11.08015543 15.47906790
-0.00114761 -0.00063137 0.00033765
-0.00176357 0.00893317 -0.01627520
9.56699270 2.21098002 -29.56997874
-0.00167232 -0.00082279 0.00084613
-0.00236043 -0.00722303 -0.01134162
6.85089103 3.11514886 -30.68839997
-0.00054548 0.00080748 -0.00031632
0.00770436 -0.01159658 0.01150783
12.53267697 14.74729620 14.70685679
0.00030607 0.00051891 0.00031188
0.00361975 0.00099963 -0.01967626
11.32863227 16.15580618 16.92433326
-0.00013680 -0.00086900 -0.00070924
-0.01195137 -0.00386305 -0.01725997
28.91200344 5.07562898 -4.49680501
0.00052444 -0.00013193 -0.00017298
0.00850243 -0.00962711 -0.00697452
26.77037954 6.65014599 -3.46359694
-0.00013162 -0.00053053 -0.00111144
0.01319364 0.00079211 0.00855253
-9.96999617 4.91877823 6.93976356
0.00003347 -0.00006220 -0.00016154
0.00150402 -0.00933895 -0.00867175
-8.66483442 13.24009613 2.58150734
-0.00004289 0.00008052 0.00004429
0.00146851 -0.00117682 -0.00577977
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09482707
0.32941944
438.93488719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3993633727 (a.u.)
total exchange computation time: 2.6273560524 s
-154.2282369790
-931.41992469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3989134495 (a.u.)
total exchange computation time: 2.6282041073 s
-154.2328300895
Anderson extrapolation: theta=1.3468043730 (1.3468043730)
-931.42014028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3982177219 (a.u.)
total exchange computation time: 2.6281349659 s
-154.2395737547
Anderson extrapolation: theta=0.0525423255 (0.0525423255)
-931.42026800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3981092087 (a.u.)
total exchange computation time: 2.6277611256 s
-154.2404177870
Anderson extrapolation: theta=1.9166919317 (1.9166919317)
-931.42027262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3978784238 (a.u.)
total exchange computation time: 2.6276550293 s
-154.2421324623
Anderson extrapolation: theta=0.2247738195 (0.2247738195)
-931.42027717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3978204038 (a.u.)
total exchange computation time: 2.6288471222 s
-154.2424946649
Anderson extrapolation: theta=1.8328373377 (1.8328373377)
-931.42027797
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3977330314 (a.u.)
total exchange computation time: 2.6289541721 s
-154.2429620592
Anderson extrapolation: theta=0.2886556048 (0.2886556048)
-931.42027880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3977276563 (a.u.)
total exchange computation time: 2.6290669441 s
-154.2429083600
Anderson extrapolation: theta=1.2946849173 (1.2946849173)
-931.42027898
-71.823731 23.235294 142.948938
559.344367 1032.258871 -412.608595
487.520636 1055.494165 -269.659656
1193.507701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3977360537 (a.u.)
total exchange computation time: 2.6283869743 s
679.41068560
-1084.45813302
89.64217312
-388.69778894
-174.91947976
78.63139529
551.60419304
0.00000000
-931.42027905
3.90639304 -30.76479921 -2.27875655
0.00002257 0.00019688 0.00003380
0.00697553 -0.02579399 0.00484316
-11.79859140 -2.14523789 -9.15059413
0.00033446 0.00026597 -0.00013586
-0.00202928 0.02596703 -0.00529270
-37.44337191 2.44977094 -0.07104465
-0.00007663 0.00016307 0.00015085
0.03328372 -0.03696194 0.00179776
-11.53105912 -3.98079761 3.84703842
-0.00018520 -0.00015175 -0.00009964
-0.00740573 0.04354456 0.00992426
4.60817309 -3.87028793 9.48052859
-0.00034792 0.00003479 -0.00027563
0.00473341 0.01568105 -0.00327224
-31.89212931 -0.96127728 -0.64640363
0.00010234 0.00050723 0.00015149
-0.02677480 0.04006021 0.01538107
14.96264195 12.58345956 -14.02987743
-0.00027357 -0.00000436 0.00026588
-0.00353351 0.00799085 -0.03664269
-7.71369765 5.86323459 2.45036357
0.00006706 0.00026663 0.00020182
-0.00835882 0.02969045 0.05349212
7.46469535 12.56029969 -5.57916386
0.00023562 0.00012590 -0.00024215
-0.00937684 0.00301776 -0.02804687
8.91733434 9.82269308 -19.05325042
-0.00011087 0.00007419 0.00007838
-0.00973402 -0.01508347 -0.01119560
23.27994029 17.37419794 -2.11692370
0.00022026 -0.00016661 -0.00000383
0.00577962 -0.00375606 -0.00543911
2.25397249 16.90129858 -19.21558819
0.00020395 -0.00002509 -0.00039482
-0.02844534 0.03641181 -0.03446123
14.09136589 -1.42945530 -5.34304418
-0.00006268 0.00026228 -0.00015956
-0.02267491 0.00350219 -0.00531180
-16.10903559 -1.82207885 3.26531855
-0.00002684 0.00032965 -0.00024848
-0.02499893 0.02864349 0.01438864
-16.99126049 -1.74847286 19.39730176
0.00021312 -0.00017905 -0.00031709
0.01921732 -0.01824150 -0.00939120
0.26545877 2.13368055 -5.12369448
0.00017279 -0.00024975 0.00025310
0.01683692 -0.02533265 -0.00671060
22.35632471 -7.17941320 -8.97259755
0.00040151 -0.00011332 0.00007978
-0.01211622 0.01912750 0.00650693
-0.46927842 -6.42938934 7.24296999
-0.00022398 0.00001180 0.00005635
-0.01414962 -0.01582335 -0.00018009
-1.87442526 -1.48313594 -19.28734685
0.00010319 0.00034364 -0.00010799
0.00520860 0.01790227 0.00574554
3.35800488 2.23501307 -9.28177957
-0.00009733 -0.00022430 -0.00002161
-0.01766663 0.00091674 -0.02994640
-3.70130399 18.02804215 12.15087218
-0.00017044 -0.00028027 0.00024443
-0.00909745 -0.01269112 -0.02393121
-3.73003171 4.98696937 -11.30767526
-0.00029336 0.00000831 0.00046228
0.00332937 0.00645641 -0.01802584
-8.15852627 3.23362523 -8.97611046
0.00011401 -0.00033514 -0.00002431
-0.00606451 -0.01171454 0.01923877
1.94447398 27.31750919 8.45554027
0.00051437 0.00017951 0.00009639
0.01725643 -0.01080047 -0.00229587
10.03456129 -6.18942212 -1.99902672
-0.00030139 0.00001243 0.00009555
0.00569340 -0.00256730 0.01599123
-8.79597536 0.60603322 5.88800138
0.00001980 0.00033650 0.00012534
-0.02694839 -0.02485403 0.01807183
20.43478199 10.67268436 8.81580897
-0.00016728 0.00006552 0.00019994
0.01720474 0.04028330 0.00339493
-2.72647493 -2.15883097 -27.16852665
0.00045886 -0.00002237 0.00008510
0.04127193 0.01048862 -0.02664124
-14.29720847 6.07032260 7.47108265
-0.00001915 0.00006596 0.00025826
0.00498807 -0.01349973 0.00205844
-9.87923448 7.19770458 -2.67065601
0.00038090 0.00018002 0.00003758
0.00389420 -0.00878161 0.02056266
-1.70740149 -15.79881952 24.00819015
0.00001319 0.00016678 -0.00056594
0.00111164 0.00303652 0.00147185
-2.59744006 6.36833572 -6.43092126
-0.00002510 -0.00015807 0.00021531
0.01819666 -0.01228053 0.00867308
-20.31362307 31.09525678 4.55724203
0.00042809 -0.00006978 -0.00037415
-0.01964176 0.01942259 0.00214410
7.57120341 0.03070605 8.08733727
0.00004494 0.00003963 -0.00015559
-0.00017228 -0.02793749 -0.02411110
5.52179320 11.27934038 -13.90527201
0.00011702 0.00019352 0.00009056
-0.03438800 0.02946598 -0.02203914
15.81541166 3.15076331 -1.96723616
-0.00038883 -0.00042118 -0.00002232
-0.00540520 -0.03030690 0.00477938
-4.12888474 13.61708824 -1.16237625
-0.00025464 -0.00007505 0.00048766
0.00857411 -0.00173686 -0.02403582
4.54930672 12.68380013 3.29922063
-0.00014023 -0.00053365 -0.00010090
0.03394198 0.02823905 -0.00838859
24.81724568 -11.79811658 -9.50491424
0.00014522 0.00020598 -0.00032880
0.00926014 0.01101213 -0.01344987
16.41327574 -3.93663303 -0.37620982
0.00007418 0.00011149 -0.00012802
-0.01021344 0.02607428 0.00237466
12.94521197 7.87304455 9.86151801
0.00007917 0.00008415 0.00020477
-0.03241015 0.02423416 0.03609234
1.69976625 -13.80653129 17.68620517
-0.00031915 -0.00014744 -0.00005065
0.02339094 0.01944012 0.01371106
-4.42344112 -0.64986512 -14.56932268
0.00013714 -0.00027966 0.00040372
0.04192341 0.01722782 -0.03273500
15.01201807 -8.14799473 -9.05495912
0.00025115 0.00035245 0.00023121
-0.03492517 -0.03534731 -0.04379348
8.82399343 -6.58040304 8.54104760
-0.00036795 -0.00034662 0.00012059
0.02455311 -0.02830995 0.00265049
-21.34833827 2.25912594 22.58870370
0.00000159 0.00008334 0.00032615
-0.00241935 -0.00289456 0.03789104
25.84722365 -3.13623306 -7.77889033
-0.00007842 -0.00027688 -0.00035086
-0.01079923 0.00853816 0.00350837
9.83140735 -14.14405837 -7.68665517
0.00001405 -0.00009831 -0.00030398
0.01485013 0.03595356 -0.01225223
-6.29423513 -12.12550218 16.73667730
-0.00041011 -0.00034316 0.00024571
-0.00225401 -0.01953519 0.00556942
8.24031748 3.44421674 -29.48942678
0.00004781 0.00001964 0.00023415
-0.02378294 0.01001688 -0.00362603
10.93501857 15.62394678 15.14941038
-0.00028430 -0.00027379 0.00033585
0.00464866 -0.00374455 0.03388952
28.51062030 6.05170932 -3.02393617
0.00026015 -0.00012658 -0.00005961
-0.03030514 0.02308378 -0.01345829
5.31726758 -31.33224961 -3.38095450
0.00025590 0.00046840 -0.00002449
-0.00394732 0.00226629 0.00742322
4.01402596 -31.63672442 -0.63872903
-0.00064811 -0.00042304 -0.00021256
0.00388569 0.01020800 -0.00995109
-11.67616374 -3.83874966 -8.49566384
0.00018266 0.00064911 -0.00038516
-0.00513551 -0.01551835 -0.00555843
-12.62277789 -2.15008270 -10.78891128
-0.00005839 0.00020903 0.00068087
0.00474884 -0.00264700 0.00727465
-38.82936091 2.16103962 0.98748665
-0.00065561 -0.00001087 -0.00014443
-0.02275344 -0.00949263 0.02258925
-37.75212008 3.99557677 -0.90519083
0.00011462 0.00024673 0.00003097
-0.00656583 0.03154344 -0.01813966
-10.85748294 -5.55810824 3.47311597
-0.00011090 -0.00001753 0.00057023
0.01702024 -0.04840670 -0.00884554
-10.08070160 -2.88196958 3.61539929
-0.00105419 0.00027551 0.00002786
-0.00292123 0.00514435 0.00265228
5.45695335 -2.30466519 8.85708675
-0.00074837 -0.00112619 -0.00082015
-0.00620046 -0.01429145 0.00605925
4.47031698 -3.49641593 11.27750001
0.00093648 -0.00009981 -0.00047338
-0.00052556 -0.00696215 0.00016975
-33.32641025 -2.08737420 -0.79036740
0.00012150 0.00079728 -0.00019385
-0.00468091 0.00383987 0.00565880
-32.56481404 0.68963605 0.07645551
-0.00035122 -0.00000641 0.00122712
0.00843876 -0.03886857 -0.01341210
14.84946428 12.94437535 -15.95046403
-0.00067613 -0.00017673 -0.00087021
-0.00144175 -0.00571759 0.04010933
16.66798724 11.99540950 -13.74340672
-0.00180286 0.00012398 0.00088672
0.00306889 -0.00304780 -0.00000108
-8.44039423 7.04008381 1.32182138
-0.00052224 -0.00027167 -0.00015548
-0.01019750 0.01753689 -0.01162010
-7.21777359 4.62571227 1.33701358
-0.00089729 -0.00000385 -0.00017154
0.01976679 -0.04713322 -0.03758502
6.04268647 12.45772780 -6.81180695
0.00000823 -0.00052683 0.00024997
0.02327480 0.00415343 0.01272975
8.90089815 13.67237051 -6.36510051
0.00071914 0.00008327 -0.00084566
-0.02010068 -0.00825851 0.00501214
8.88320956 9.02542443 -20.69969705
-0.00065539 -0.00018883 0.00073878
-0.01016806 -0.00254092 -0.00033923
10.66039244 10.30542727 -19.05495871
-0.00053023 0.00135473 -0.00068475
0.01666602 0.01622353 0.00960467
24.21954988 15.77313744 -2.68632704
-0.00037177 -0.00057841 -0.00031994
-0.01155705 0.02634950 0.01430981
24.53029485 18.74048820 -2.31574252
0.00120224 -0.00148806 -0.00050453
-0.00229060 -0.00621860 0.00036007
1.75582054 17.28633460 -21.09053118
-0.00114442 -0.00089378 -0.00093146
0.00951204 -0.01604608 0.03522543
2.93011620 15.21565727 -19.13480188
-0.00110236 -0.00063534 0.00018929
0.01418502 -0.01285438 -0.00363509
12.95259272 -1.51937471 -6.79538814
-0.00064168 0.00204025 -0.00018706
0.00904416 -0.00046208 -0.00673080
12.87619202 -1.08342641 -3.98815031
0.00059077 -0.00074885 0.00030437
0.01481458 -0.00131474 0.00070207
-17.54014611 -2.99937453 3.52758919
0.00066005 0.00089874 -0.00047795
0.02105412 -0.00461098 -0.00625221
-14.44434799 -2.52140337 3.18592872
0.00015586 0.00051401 0.00104614
0.00407413 -0.02209305 0.00006897
-16.30900285 -0.06170805 19.83467942
0.00072751 -0.00069099 -0.00034281
0.00111323 -0.00980644 0.00732103
-15.60514200 -3.01912642 19.48653114
-0.00028411 0.00007499 -0.00058951
-0.01717876 0.02497006 0.00536979
-0.75149204 0.54613786 -5.10396424
0.00019376 0.00011372 -0.00059933
-0.00394427 0.01962233 0.00350677
-0.78086206 3.56364551 -4.80152396
0.00023971 0.00033580 -0.00020019
-0.01912312 0.00727921 -0.00024610
23.33047757 -8.63106360 -9.23601789
-0.00028648 -0.00013067 -0.00033076
0.00857387 -0.03930062 -0.00621580
23.63705313 -6.04441581 -8.39825663
0.00000632 0.00092150 -0.00033487
0.00614642 0.02207912 0.00598194
0.54895084 -5.97066587 5.78117030
-0.00006305 0.00029273 -0.00017387
0.00202241 0.00883226 0.00586363
-0.41999193 -5.18829898 8.56494224
0.00047042 0.00026692 -0.00033343
0.00962139 0.00222869 -0.00228729
-1.04211072 -2.96200784 -18.68826352
0.00013713 -0.00087796 0.00003112
0.00616230 -0.01436204 0.00071056
-3.24895858 -2.03715026 -20.33610959
0.00101125 -0.00035202 -0.00025829
-0.01197495 -0.00685469 -0.00660146
2.87795054 2.51418927 -11.11240391
-0.00053373 -0.00093487 0.00007288
0.00686479 0.00082749 0.03486157
1.82552317 2.45982192 -8.20701436
-0.00043720 0.00085142 -0.00002309
0.01466670 0.00054360 -0.00263503
-2.38759707 16.89464497 12.71427093
-0.00050249 0.00037643 -0.00004992
0.00851252 -0.01752840 -0.00705093
-3.54550885 19.23161258 13.43331766
0.00055511 0.00020503 -0.00049297
-0.00476789 0.03074302 0.02799173
-4.35059243 6.39166835 -12.45791637
-0.00100528 0.00089764 0.00017833
0.01846256 -0.03798321 0.01684644
-2.91937003 3.48164911 -12.09779879
0.00053258 -0.00046610 -0.00035068
-0.02284054 0.02751872 -0.00354520
-7.68378768 2.28751017 -7.46860052
-0.00031163 0.00004210 -0.00016993
-0.00637593 -0.00058412 -0.00575341
-6.54262316 3.80496109 -9.53732672
0.00159865 -0.00027902 0.00033121
0.00842756 0.00846652 -0.01230935
1.97314686 28.22525170 6.86431941
0.00027576 -0.00010424 0.00080518
0.00174355 0.00402222 -0.00092590
0.29355211 27.53720496 9.08249167
0.00010116 0.00046133 0.00011347
-0.01987522 0.00829682 0.00653486
10.90207511 -6.82964076 -0.45341009
-0.00005134 -0.00102278 0.00010306
-0.00948522 0.00014923 -0.01718811
8.79310652 -7.45985863 -2.48216612
-0.00038623 0.00021078 -0.00090703
0.00625176 0.00306578 0.00544512
-7.01465333 0.21500232 6.31151479
0.00045826 0.00006257 -0.00004340
-0.00629235 -0.00399903 0.00473227
-9.79477001 -0.65858391 6.92776508
0.00124132 -0.00069578 -0.00017210
0.02172259 0.03116448 -0.02097881
21.61143824 10.37094965 10.21762314
0.00026381 -0.00058371 -0.00098079
-0.00804504 -0.00532406 -0.00499367
20.77619158 12.55946570 8.55750712
0.00059982 0.00018991 -0.00065983
-0.00752134 -0.02953712 -0.00305315
-1.62940270 -3.15272027 -26.12048467
-0.00010388 -0.00045124 -0.00118887
0.00769721 -0.01215291 0.00662569
-4.32590957 -2.27485193 -26.46813635
0.00066709 0.00024083 -0.00101365
-0.04261168 -0.00003582 0.01848530
-14.38892594 7.11232122 8.95350915
0.00035751 0.00038743 0.00003397
-0.00363627 0.00555017 -0.00294090
-14.69257476 7.15226268 6.06512153
-0.00117937 0.00033829 0.00098766
-0.00202528 0.00726812 -0.00062400
-11.22003363 6.62415558 -3.74184667
0.00024959 0.00024174 0.00086712
-0.00097128 0.00992122 -0.00803216
-8.70197542 8.22662088 -3.61711483
-0.00003465 0.00017422 0.00036090
-0.00200095 0.00289665 -0.01243651
-1.07765494 -17.50613100 23.46133340
0.00027939 -0.00000293 -0.00019340
-0.01457063 0.01287114 0.00650526
-3.48724653 -15.70068315 24.52291567
-0.00152582 0.00059412 0.00040963
0.01645246 -0.01163959 -0.00896140
-3.11992354 5.59917338 -7.99424652
0.00061566 -0.00021036 -0.00062593
0.00152459 0.00266746 -0.00915729
-3.71854852 7.74158820 -6.14661597
-0.00006296 0.00063958 -0.00019480
-0.02157920 0.01495126 0.00317396
-21.31775706 30.39803925 3.13520608
0.00133259 0.00111921 -0.00031096
-0.00734067 -0.00250482 0.01059976
-21.43298142 32.39717863 5.37494197
0.00046551 -0.00010994 0.00017593
0.01046704 -0.03123074 -0.00810615
6.95820185 -0.36998124 6.28339548
0.00010888 0.00030064 -0.00052659
0.00706150 0.02004898 0.02574325
7.26365922 1.70762719 8.67265939
0.00064735 0.00040849 -0.00076249
-0.00729071 0.01160975 -0.01337950
6.62356876 12.67246093 -13.44154292
0.00024778 0.00086572 -0.00075015
0.01050343 0.00020302 -0.00276480
4.39339074 12.22296974 -15.20261165
0.00019028 -0.00035712 0.00077076
0.03035568 -0.02854086 0.03533956
14.51204846 4.09632197 -2.82470263
-0.00006476 -0.00103012 -0.00077833
-0.00227486 0.00670060 0.00038694
15.23873796 1.36503503 -2.03961129
-0.00034655 0.00006444 0.00034282
0.01188336 0.02507257 -0.00096386
-2.44393927 13.49684491 -0.50328598
-0.00014082 0.00021513 -0.00036244
-0.00159765 -0.00374284 0.00491706
-5.35242455 13.10161377 0.07719620
-0.00023607 -0.00044212 -0.00002288
-0.00567098 -0.00548126 0.01648756
3.77540618 11.09584995 3.58998680
0.00065937 0.00055038 -0.00052593
-0.01841807 -0.03664513 0.00437039
6.35598591 12.36162181 3.63464105
0.00061165 -0.00031409 0.00009835
-0.00921148 0.00091868 -0.00800808
25.20691664 -13.39674032 -8.76213876
0.00064962 0.00048253 0.00018612
-0.00339901 -0.00691296 0.00794179
25.95433127 -11.62534724 -10.96741332
0.00034768 0.00000527 0.00132934
-0.00306928 -0.00154044 -0.00345187
14.65917313 -3.99503332 -0.93324887
-0.00009476 -0.00051756 -0.00028016
0.01941005 0.00144575 0.00612562
17.20130701 -5.50069902 -0.80235495
-0.00043276 0.00082795 -0.00001487
0.00345019 -0.01976230 -0.00579400
11.79870269 8.09025927 11.41891801
0.00043662 0.00011865 0.00065419
0.02593605 -0.01465874 -0.02351737
12.82184433 9.58952038 9.18604482
0.00028866 -0.00023814 0.00026530
0.01282020 -0.00380322 -0.00379529
0.08628905 -14.38306603 17.02993503
-0.00062211 -0.00061833 0.00005116
-0.00649125 0.00592154 -0.00137802
1.73368032 -12.00864899 18.22511645
0.00037813 -0.00006752 0.00039483
-0.00974771 -0.02739701 -0.01129639
-4.16887770 -2.10943940 -13.52452796
0.00042872 0.00029960 -0.00066019
0.00258036 -0.00924297 0.00676323
-3.04133627 -0.61958415 -15.94503891
0.00003365 0.00071719 0.00002660
-0.03439435 -0.00818614 0.02792292
14.54602021 -8.14307564 -10.94721021
-0.00128756 0.00077915 0.00069279
0.00539651 -0.01538500 0.03168000
15.86909434 -6.61957200 -9.07347485
0.00029679 0.00057831 -0.00085327
0.03557702 0.04578993 0.00934134
7.34818447 -5.83676517 9.22121010
-0.00036644 -0.00020181 0.00082059
-0.02653591 0.02221311 0.00534138
9.34608919 -5.54570180 7.15518897
-0.00000909 -0.00101354 0.00063636
0.00147442 0.00546272 -0.00749431
-20.88134979 2.33464509 20.87146382
-0.00036853 -0.00061320 -0.00063097
0.00055386 -0.01075796 -0.02643071
-21.81639783 0.55317572 23.18694009
0.00042817 0.00004115 0.00021455
-0.00047553 0.01507875 -0.01127219
26.36756754 -2.87052442 -6.04318914
0.00003728 -0.00019500 -0.00047892
0.00652464 0.00036336 0.00351217
25.23304829 -1.44022110 -8.18858100
-0.00051508 0.00016805 0.00012729
0.00399722 -0.00332026 -0.00406752
9.08579984 -15.77044958 -7.60296383
-0.00047721 0.00029503 0.00009759
-0.00869962 -0.02689706 0.00007114
8.60633495 -12.90956600 -7.13030499
-0.00016715 0.00021276 -0.00012731
0.00317386 0.00028258 0.00454619
-5.51191422 -10.96714912 17.86453515
-0.00066489 -0.00090289 -0.00003516
0.00961780 0.01368400 0.01382056
-7.07447945 -11.08935223 15.48363387
-0.00115337 -0.00059596 0.00027339
-0.00105795 0.00840227 -0.01518091
9.54183555 2.19841688 -29.55763437
-0.00167335 -0.00086009 0.00079940
0.00185511 -0.01103742 -0.01152985
6.84294493 3.12690575 -30.69279210
-0.00050790 0.00076108 -0.00026361
0.01069136 -0.01111961 0.01429373
12.53737888 14.75511052 14.71093201
0.00031977 0.00052289 0.00023061
0.00308888 0.00094638 -0.02010458
11.32621401 16.14265274 16.91316578
-0.00018398 -0.00087959 -0.00076609
-0.01114069 -0.00131670 -0.01056916
28.92013052 5.07335507 -4.49961338
0.00055951 -0.00017037 -0.00019895
0.00866521 -0.00919028 -0.00574035
26.76880956 6.64221239 -3.48000650
-0.00007335 -0.00052809 -0.00107374
0.01532910 0.00040018 0.00990067
-9.96949012 4.91782019 6.93731718
0.00003399 -0.00006549 -0.00016460
0.00139753 -0.00903163 -0.00843867
-8.66547517 13.24130190 2.58216167
-0.00004256 0.00008024 0.00004298
0.00133458 -0.00120889 -0.00549674
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09479572
0.32548333
433.69022271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4037351983 (a.u.)
total exchange computation time: 2.6273899078 s
-154.2427052214
-931.41649140
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4031879853 (a.u.)
total exchange computation time: 2.6286439896 s
-154.2480300318
Anderson extrapolation: theta=1.3419982895 (1.3419982895)
-931.41670986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4023543796 (a.u.)
total exchange computation time: 2.6267850399 s
-154.2557661198
Anderson extrapolation: theta=0.0510254773 (0.0510254773)
-931.41683856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4022322097 (a.u.)
total exchange computation time: 2.6277709007 s
-154.2566784832
Anderson extrapolation: theta=1.8740350858 (1.8740350858)
-931.41684307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4019758489 (a.u.)
total exchange computation time: 2.6280491352 s
-154.2585077962
Anderson extrapolation: theta=0.2181381497 (0.2181381497)
-931.41684745
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4019100034 (a.u.)
total exchange computation time: 2.6278860569 s
-154.2589036657
Anderson extrapolation: theta=1.8436844828 (1.8436844828)
-931.41684823
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4018059591 (a.u.)
total exchange computation time: 2.6278259754 s
-154.2594472465
Anderson extrapolation: theta=0.2879661777 (0.2879661777)
-931.41684910
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4017950335 (a.u.)
total exchange computation time: 2.6265199184 s
-154.2594203355
Anderson extrapolation: theta=1.2965386483 (1.2965386483)
-931.41684931
-71.811510 23.296559 142.878205
559.331772 1032.258635 -412.632642
487.520262 1055.555194 -269.754437
1193.582938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4017964433 (a.u.)
total exchange computation time: 2.6269350052 s
679.47268806
-1084.60113442
89.64320972
-388.59947901
-174.93033736
78.71089261
551.60419304
0.00000000
-931.41684945
3.90675842 -30.76194548 -2.27823085
0.00002627 0.00018351 0.00003612
0.00743563 -0.02618915 0.00415846
-11.79358240 -2.14114818 -9.15265246
0.00033380 0.00027984 -0.00013790
-0.00052940 0.02798891 -0.00263491
-37.44439305 2.45207441 -0.06877503
-0.00006020 0.00014420 0.00015219
0.03063457 -0.03641509 0.00344537
-11.53386563 -3.98290593 3.84558208
-0.00018990 -0.00012953 -0.00009431
-0.01088577 0.04286209 0.01081005
4.60297262 -3.86970559 9.47638159
-0.00034603 0.00004144 -0.00027738
0.00261561 0.01018027 -0.00354006
-31.89069756 -0.95351438 -0.64407197
0.00008863 0.00052798 0.00015961
-0.02653193 0.04064273 0.01620026
14.95852476 12.58342505 -14.02603057
-0.00027824 0.00000085 0.00024559
-0.01464087 0.01225079 -0.04226862
-7.71272406 5.86734854 2.45359719
0.00006292 0.00028156 0.00022847
-0.00771188 0.02838243 0.05012995
7.46819342 12.56219976 -5.58290433
0.00023117 0.00012753 -0.00025644
-0.00790074 0.00332590 -0.02750501
8.91563372 9.82374775 -19.05211788
-0.00011590 0.00006690 0.00007350
-0.00982276 -0.01326290 -0.00780595
23.28326652 17.37168427 -2.11700215
0.00022309 -0.00016904 -0.00000672
0.00522244 -0.00569888 -0.00580643
2.25692199 16.90106262 -19.22164348
0.00018909 -0.00000676 -0.00041294
-0.02933649 0.03489404 -0.03599432
14.09033825 -1.42550757 -5.34545805
-0.00007430 0.00026398 -0.00016305
-0.02253243 0.00309407 -0.00825112
-16.10953465 -1.81702355 3.26164680
-0.00003837 0.00034526 -0.00024134
-0.01981538 0.03203072 0.01338648
-16.98798963 -1.75122904 19.39250916
0.00022230 -0.00018817 -0.00032205
0.01648116 -0.01721974 -0.00989706
0.26811563 2.12983651 -5.11992392
0.00018134 -0.00026158 0.00024971
0.01640219 -0.02066812 -0.00647562
22.36230059 -7.18103915 -8.97137572
0.00039505 -0.00010256 0.00008335
-0.01300896 0.02270799 0.00736709
-0.47269271 -6.42927341 7.24381458
-0.00023082 0.00000387 0.00005560
-0.01244469 -0.01499382 -0.00275188
-1.87285732 -1.47791231 -19.28894460
0.00010738 0.00035088 -0.00010384
0.01106898 0.01026284 0.01040466
3.35647685 2.23165203 -9.28221928
-0.00010702 -0.00022379 -0.00003649
-0.02003873 0.00110361 -0.02790102
-3.70389563 18.02378921 12.15444632
-0.00017606 -0.00028600 0.00023172
-0.01277512 -0.00961251 -0.02548601
-3.73441924 4.98711899 -11.30081052
-0.00029133 0.00001133 0.00045161
0.00454136 0.00525454 -0.02347391
-8.15683955 3.22855295 -8.97640095
0.00011304 -0.00033990 -0.00001590
0.00230656 -0.00681332 0.01346782
1.95225614 27.32016019 8.45697733
0.00052208 0.00017342 0.00009686
0.01272674 -0.01287703 0.00409657
10.03006236 -6.18924565 -1.99753183
-0.00029831 0.00001065 0.00010417
0.00628820 -0.00432909 0.01753916
-8.79578234 0.61098484 5.88995121
0.00000700 0.00032347 0.00013471
-0.02282913 -0.02580494 0.01836232
20.43233919 10.67382250 8.81882112
-0.00015884 0.00008660 0.00020077
0.01559242 0.04169838 -0.00016274
-2.71943278 -2.15912601 -27.16735293
0.00048039 -0.00001595 0.00006982
0.04244257 0.01447357 -0.03276619
-14.29747648 6.07125986 7.47496449
-0.00001658 0.00005909 0.00025950
0.00500730 -0.01321276 0.00274679
-9.87350594 7.20037103 -2.67001295
0.00038295 0.00017530 0.00004916
0.00405389 -0.00957831 0.02447309
-1.70719930 -15.79630612 23.99970670
0.00001104 0.00016859 -0.00056435
-0.00946911 0.00400350 0.00473394
-2.59774643 6.36591734 -6.42765819
-0.00001676 -0.00016390 0.00021912
0.01426663 -0.01041202 0.00616185
-20.30727755 31.09428495 4.55163797
0.00041861 -0.00005921 -0.00037170
-0.01722024 0.02168919 0.00740542
7.57187685 0.03119272 8.08491039
0.00004468 0.00002543 -0.00016825
-0.00082400 -0.02727207 -0.02512168
5.52341584 11.28235677 -13.90399860
0.00010037 0.00020882 0.00007998
-0.03033887 0.03005888 -0.01912647
15.80955838 3.14432877 -1.96755252
-0.00039122 -0.00043604 -0.00001969
-0.00390739 -0.02751548 0.00543880
-4.13267122 13.61595581 -1.15515401
-0.00025041 -0.00007574 0.00047466
0.00787343 -0.00095405 -0.02651098
4.54733423 12.67590427 3.29767469
-0.00012051 -0.00051674 -0.00010552
0.04272072 0.03752193 -0.00954417
24.81945977 -11.79498441 -9.50989817
0.00014894 0.00021106 -0.00033401
0.00520508 0.00873732 -0.00681405
16.41434906 -3.93486013 -0.37812093
0.00006774 0.00012620 -0.00012660
-0.01484736 0.03114907 0.00313367
12.94627456 7.87440033 9.86472884
0.00006261 0.00009597 0.00022362
-0.03201733 0.02170232 0.03718872
1.69506927 -13.80866797 17.68549835
-0.00030741 -0.00013757 -0.00004377
0.02226395 0.01897541 0.01304610
-4.42122232 -0.65399359 -14.56339310
0.00015844 -0.00026893 0.00038554
0.04091715 0.02452493 -0.03798792
15.01565066 -8.14284437 -9.05165985
0.00023334 0.00033514 0.00020890
-0.03433203 -0.03194252 -0.04296342
8.81856894 -6.58571151 8.54286668
-0.00035641 -0.00036174 0.00012345
0.02031691 -0.03049208 0.00848685
-21.34832381 2.26036491 22.59374214
0.00000103 0.00008202 0.00034356
0.00025926 -0.00225978 0.02979697
25.84600570 -3.14035339 -7.78413969
-0.00008425 -0.00027175 -0.00034930
-0.01186182 0.01141911 0.00255831
9.83167544 -14.14539429 -7.69126219
0.00002114 -0.00007922 -0.00031003
0.01269621 0.03825162 -0.01124390
-6.30039554 -12.13072488 16.74038449
-0.00041201 -0.00035387 0.00024738
-0.00510640 -0.02212058 0.00090137
8.24094292 3.44454993 -29.48592849
0.00003387 0.00002559 0.00023167
-0.03045206 0.01312467 -0.00603863
10.93077199 15.61982543 15.15457882
-0.00028187 -0.00027636 0.00035129
0.00480854 -0.00625079 0.02616594
28.51440572 6.04989963 -3.02488216
0.00024412 -0.00011476 -0.00006722
-0.03205813 0.02290696 -0.01613498
5.32098505 -31.32515422 -3.38109435
0.00023870 0.00047749 0.00000680
-0.00447082 0.00218489 0.00789363
4.00442336 -31.64275716 -0.64222232
-0.00063144 -0.00038107 -0.00025329
0.00427653 0.01033585 -0.00998561
-11.67358115 -3.82948847 -8.50161150
0.00016231 0.00058050 -0.00040471
-0.00482748 -0.01806993 -0.00401154
-12.62350825 -2.14702833 -10.77847535
-0.00004290 0.00019915 0.00070225
0.00283449 -0.00218877 0.00319467
-38.83989229 2.16058562 0.98601237
-0.00074324 -0.00004818 -0.00005695
-0.02014039 -0.00876923 0.02023150
-37.75060200 4.00024428 -0.90528206
0.00008794 0.00037265 -0.00004167
-0.00649124 0.03009564 -0.01742178
-10.85862482 -5.55985448 3.48139831
-0.00003980 -0.00021643 0.00053354
0.01778121 -0.04895715 -0.00911262
-10.09660395 -2.87767925 3.61589849
-0.00106036 0.00029940 0.00003741
-0.00010120 0.00654726 0.00202055
5.44553784 -2.32199590 8.84497023
-0.00076873 -0.00117442 -0.00079920
-0.00376538 -0.00931953 0.00419397
4.48434801 -3.49812648 11.27040453
0.00093321 -0.00012670 -0.00046799
-0.00107261 -0.00620055 0.00246820
-33.32473113 -2.07529741 -0.79310168
0.00010070 0.00081037 -0.00017106
-0.00550169 0.00257103 0.00549336
-32.56982368 0.68834886 0.09445129
-0.00031553 -0.00016445 0.00117100
0.00903104 -0.03849573 -0.01405603
14.83927809 12.94154918 -15.96228818
-0.00068008 -0.00020199 -0.00069767
-0.00048824 -0.00664844 0.04435213
16.64103839 11.99717581 -13.73010592
-0.00176976 0.00010510 0.00088885
0.01313315 -0.00619399 0.00104414
-8.44854029 7.03654614 1.31913315
-0.00056323 -0.00020083 -0.00020077
-0.00986774 0.01713845 -0.01054936
-7.23062727 4.62421025 1.33328879
-0.00081812 -0.00019294 -0.00032080
0.01898778 -0.04543105 -0.03548019
6.04352308 12.44995270 -6.80766733
0.00010201 -0.00050924 0.00030015
0.02263135 0.00445506 0.01183291
8.91106929 13.67336647 -6.37763178
0.00063456 0.00004840 -0.00082373
-0.02129951 -0.00881073 0.00572201
8.87306712 9.02251414 -20.68862573
-0.00069665 -0.00020237 0.00073116
-0.01002681 -0.00408814 -0.00339240
10.65294970 10.32624542 -19.06493568
-0.00046190 0.00142069 -0.00064612
0.01677985 0.01606346 0.00930794
24.21361912 15.76526869 -2.69068766
-0.00041962 -0.00047095 -0.00026074
-0.01186608 0.02625410 0.01467036
24.54825830 18.71797676 -2.32329937
0.00119371 -0.00150900 -0.00050243
-0.00188782 -0.00403270 0.00066588
1.73894568 17.27243623 -21.10342367
-0.00110297 -0.00095878 -0.00078411
0.01077976 -0.01577079 0.03690317
2.91401553 15.20573329 -19.13207387
-0.00104511 -0.00068521 0.00017421
0.01383556 -0.01155652 -0.00374839
12.94324460 -1.48878514 -6.79840028
-0.00060211 0.00203774 -0.00021104
0.01032657 -0.00076665 -0.00500706
12.88550748 -1.09469948 -3.98356323
0.00064855 -0.00075293 0.00030985
0.01347028 -0.00068244 0.00198194
-17.52960015 -2.98603465 3.52022840
0.00073694 0.00087228 -0.00050156
0.01658200 -0.00834244 -0.00530461
-14.44188519 -2.51437016 3.20162290
0.00017118 0.00042386 0.00104602
0.00342179 -0.02203720 -0.00012883
-16.29805605 -0.07237343 19.82976155
0.00073193 -0.00072714 -0.00031211
0.00105046 -0.00788878 0.00770912
-15.60993005 -3.01723634 19.47785306
-0.00034836 0.00017093 -0.00056707
-0.01427341 0.02199048 0.00561377
-0.74870646 0.54844498 -5.11284675
0.00017515 0.00019031 -0.00058412
-0.00516624 0.01786998 0.00394047
-0.77785245 3.56890550 -4.80453441
0.00016484 0.00036014 -0.00020220
-0.01752344 0.00463869 -0.00073410
23.32644309 -8.63422794 -9.24116983
-0.00024779 -0.00029242 -0.00035589
0.01036537 -0.03987935 -0.00608226
23.63733626 -6.02991675 -8.40309632
0.00002946 0.00100603 -0.00031242
0.00518244 0.01929912 0.00500481
0.54806706 -5.96600428 5.77874195
-0.00005727 0.00032655 -0.00014702
0.00080460 0.00772403 0.00728105
-0.41264086 -5.18422684 8.55987075
0.00050913 0.00027636 -0.00034086
0.00932789 0.00238870 -0.00135189
-1.03986500 -2.97561738 -18.68777495
0.00015539 -0.00092092 0.00002890
0.00277958 -0.00666542 -0.00179689
-3.23415682 -2.04264056 -20.34018629
0.00095713 -0.00038005 -0.00028904
-0.01451776 -0.00686954 -0.00844757
2.87015499 2.50019155 -11.11024237
-0.00050478 -0.00093081 0.00021317
0.00730509 0.00116171 0.03380739
1.81941457 2.47260985 -8.20744145
-0.00037292 0.00085199 -0.00003556
0.01680021 -0.00026398 -0.00346857
-2.39487364 16.89975435 12.71330609
-0.00045984 0.00029719 -0.00007560
0.01236739 -0.02125968 -0.00551959
-3.53732824 19.23563015 13.42678088
0.00053542 0.00033165 -0.00037834
-0.00487426 0.03123482 0.02811930
-4.36510593 6.40396902 -12.45472520
-0.00092629 0.00073514 0.00025285
0.02020634 -0.04156302 0.01963093
-2.91208124 3.47550085 -12.10316762
0.00043358 -0.00034390 -0.00035979
-0.02561869 0.03230078 -0.00091670
-7.68865748 2.28812380 -7.47132579
-0.00033637 0.00003634 -0.00018770
-0.00573727 -0.00223419 -0.00294264
-6.51838512 3.80103528 -9.53273574
0.00161450 -0.00025079 0.00028673
-0.00067020 0.00535094 -0.00946570
1.97733669 28.22381130 6.87636870
0.00028370 -0.00008236 0.00079047
0.00214346 0.00668819 -0.00627251
0.29446040 27.54437911 9.08439404
0.00002809 0.00049394 0.00013763
-0.01588829 0.00766506 0.00528866
10.90101442 -6.84497794 -0.45239093
-0.00009310 -0.00101991 0.00002853
-0.01095661 0.00125864 -0.01929138
8.78750471 -7.45660295 -2.49560472
-0.00035885 0.00022463 -0.00088351
0.00714658 0.00371207 0.00607041
-7.00797226 0.21581839 6.31100873
0.00042784 0.00004841 -0.00002594
-0.00859568 -0.00293582 0.00381711
-9.77548452 -0.66806570 6.92454070
0.00132663 -0.00056886 -0.00025636
0.02003404 0.03096746 -0.02026618
21.61514890 10.36203085 10.20275825
0.00023528 -0.00060552 -0.00099568
-0.00592384 -0.00535064 -0.00229505
20.78495844 12.56140918 8.54751615
0.00056787 0.00006638 -0.00067040
-0.00811716 -0.03092875 -0.00212196
-1.63072500 -3.15986125 -26.13811468
-0.00006543 -0.00050760 -0.00115370
0.01112203 -0.01543766 0.01058857
-4.31720899 -2.27124054 -26.48277470
0.00048317 0.00023973 -0.00093390
-0.04741625 -0.00050570 0.02055607
-14.38367469 7.11830278 8.95392861
0.00034311 0.00040927 0.00002351
-0.00341361 0.00514172 -0.00218149
-14.71032744 7.15755977 6.07991728
-0.00118790 0.00036801 0.00098240
-0.00214704 0.00727875 -0.00195110
-11.21631961 6.62808567 -3.72908599
0.00024084 0.00028033 0.00083017
-0.00330842 0.00897165 -0.01005538
-8.70255650 8.22932301 -3.61208237
-0.00003904 0.00018916 0.00030650
-0.00014688 0.00441674 -0.01419560
-1.07391056 -17.50578051 23.45863173
0.00021826 0.00005016 -0.00016626
-0.01535464 0.01311739 0.00677835
-3.50962962 -15.69212810 24.52878549
-0.00143632 0.00054411 0.00036597
0.02735668 -0.01283832 -0.01240777
-3.11064185 5.59609972 -8.00391608
0.00062378 -0.00019503 -0.00065588
0.00244787 0.00483769 -0.00550517
-3.72015423 7.75164001 -6.14944073
-0.00014507 0.00069237 -0.00018409
-0.01861268 0.01088923 0.00206959
-21.29799313 30.41475059 3.13086654
0.00129616 0.00110420 -0.00027618
-0.01049203 -0.00484034 0.00642460
-21.42567807 32.39457255 5.37733257
0.00050914 -0.00023853 0.00014123
0.01088979 -0.03171502 -0.00888345
6.96005150 -0.36485729 6.27628545
0.00013840 0.00038240 -0.00041877
0.00738649 0.01997476 0.02703666
7.27314599 1.71411035 8.66081210
0.00061801 0.00045484 -0.00081707
-0.00706834 0.01107549 -0.01333779
6.62760727 12.68545288 -13.45287986
0.00028816 0.00086175 -0.00076216
0.00926449 -0.00214334 -0.00311399
4.39717509 12.21673837 -15.18996733
0.00030895 -0.00047056 0.00090920
0.02773410 -0.02698890 0.03242872
14.51100731 4.08107546 -2.83636565
-0.00007519 -0.00100084 -0.00077778
-0.00282845 0.00763530 -0.00012107
15.23390386 1.36676989 -2.03449854
-0.00029973 0.00015949 0.00033883
0.01103529 0.02145422 -0.00098960
-2.44610057 13.49995720 -0.50857184
-0.00014493 0.00019904 -0.00034014
-0.00041109 -0.00413546 0.00599466
-5.35613937 13.09481400 0.07735826
-0.00025989 -0.00046532 0.00004713
-0.00598984 -0.00587641 0.01778384
3.78473233 11.10298270 3.58223182
0.00057566 0.00038189 -0.00050430
-0.02256018 -0.04582979 0.00621624
6.36487834 12.35693867 3.63587087
0.00056494 -0.00030933 0.00006381
-0.01365202 0.00140905 -0.00890040
25.21655684 -13.38971416 -8.75910362
0.00063446 0.00045583 0.00021875
-0.00402313 -0.00615819 0.00803118
25.95945243 -11.62531545 -10.94757900
0.00034429 0.00000143 0.00130218
0.00141034 -0.00033984 -0.00984385
14.65834646 -4.00275245 -0.93726351
-0.00001328 -0.00051063 -0.00025385
0.02047685 0.00194836 0.00675406
17.19492135 -5.48888530 -0.80275560
-0.00041182 0.00073542 -0.00004124
0.00679995 -0.02553150 -0.00711129
11.80604677 8.09158988 11.42801015
0.00054235 0.00005874 0.00055703
0.02582008 -0.01466800 -0.02404239
12.82656701 9.58583171 9.18990809
0.00034030 -0.00024895 0.00024815
0.01245830 -0.00148533 -0.00460284
0.07675847 -14.39215958 17.03066023
-0.00064440 -0.00059132 0.00004754
-0.00441791 0.00730196 -0.00039432
1.73905363 -12.01050133 18.23069269
0.00033682 -0.00018139 0.00034764
-0.01047461 -0.02834453 -0.01179951
-4.16236777 -2.10522866 -13.53422354
0.00044163 0.00024809 -0.00062331
0.00373525 -0.01596935 0.01128810
-3.04188545 -0.60907710 -15.94378428
-0.00010726 0.00068252 0.00014142
-0.03458126 -0.00878478 0.02828399
14.52687216 -8.13185981 -10.93584758
-0.00126480 0.00071511 0.00082062
0.00574582 -0.01596327 0.03089359
15.87463634 -6.60949421 -9.08598769
0.00043966 0.00075973 -0.00081487
0.03436133 0.04301619 0.00945849
7.34187469 -5.83911169 9.23368261
-0.00046855 -0.00011318 0.00083845
-0.02344870 0.02117317 0.00339954
9.34599801 -5.56073756 7.16450476
-0.00000088 -0.00098427 0.00059768
0.00254669 0.00886766 -0.01144016
-20.88686079 2.32511740 20.86118941
-0.00037025 -0.00065687 -0.00072434
-0.00139547 -0.01062006 -0.01927783
-21.80998987 0.55425504 23.18981287
0.00042528 0.00010119 0.00016988
-0.00093972 0.01431010 -0.01059167
26.36832669 -2.87343835 -6.05026534
0.00006435 -0.00019386 -0.00046349
0.00672785 0.00019526 0.00404133
25.22544462 -1.43780209 -8.18679623
-0.00049667 0.00014908 0.00011115
0.00501102 -0.00596734 -0.00383258
9.07837517 -15.76684828 -7.60149778
-0.00051195 0.00018397 0.00009789
-0.00830749 -0.02746984 0.00007719
8.60392499 -12.90636588 -7.13207532
-0.00014981 0.00021075 -0.00011045
0.00531454 -0.00126893 0.00370670
-5.52159278 -10.98027319 17.86443132
-0.00062120 -0.00083958 0.00002744
0.01176669 0.01730950 0.01681871
-7.09181240 -11.09803409 15.48726946
-0.00115566 -0.00056334 0.00021446
-0.00006579 0.00756187 -0.01366184
9.51679209 2.18517729 -29.54599661
-0.00165802 -0.00091253 0.00075216
0.00564881 -0.01463114 -0.01159877
6.83565407 3.13798116 -30.69630822
-0.00045901 0.00071645 -0.00020027
0.01323920 -0.01072716 0.01671038
12.54227009 14.76298284 14.71377509
0.00033100 0.00052684 0.00014783
0.00240940 0.00098606 -0.02041759
11.32311299 16.12941861 16.90135056
-0.00022730 -0.00087941 -0.00079396
-0.01006695 0.00140195 -0.00307377
28.92878865 5.07051792 -4.50277355
0.00059495 -0.00020657 -0.00021925
0.00868344 -0.00852916 -0.00419794
26.76817904 6.63430331 -3.49580928
-0.00000729 -0.00052697 -0.00103080
0.01700706 0.00014687 0.01112064
-9.96897658 4.91681365 6.93482549
0.00003447 -0.00006866 -0.00016759
0.00129053 -0.00871343 -0.00822884
-8.66611126 13.24250347 2.58279685
-0.00004227 0.00007996 0.00004174
0.00119059 -0.00123852 -0.00521932
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09476700
0.32208245
429.15871638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4074411775 (a.u.)
total exchange computation time: 2.6273310184 s
-154.2555617922
-931.41389025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4068170984 (a.u.)
total exchange computation time: 2.6305708885 s
-154.2615010601
Anderson extrapolation: theta=1.3422272993 (1.3422272993)
-931.41411229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4058785615 (a.u.)
total exchange computation time: 2.6277539730 s
-154.2700605760
Anderson extrapolation: theta=0.0508604051 (0.0508604051)
-931.41424300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4057499357 (a.u.)
total exchange computation time: 2.6279609203 s
-154.2710125371
Anderson extrapolation: theta=1.8724326349 (1.8724326349)
-931.41424756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4054810363 (a.u.)
total exchange computation time: 2.6299529076 s
-154.2729147266
Anderson extrapolation: theta=0.2174535638 (0.2174535638)
-931.41425196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4054121393 (a.u.)
total exchange computation time: 2.6273958683 s
-154.2733252867
Anderson extrapolation: theta=1.8455424949 (1.8455424949)
-931.41425274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4053022509 (a.u.)
total exchange computation time: 2.6300468445 s
-154.2738952495
Anderson extrapolation: theta=0.2865190789 (0.2865190789)
-931.41425363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4052898151 (a.u.)
total exchange computation time: 2.6298029423 s
-154.2738732577
Anderson extrapolation: theta=1.2970403186 (1.2970403186)
-931.41425384
-71.795383 23.351410 142.815527
559.320490 1032.255106 -412.654342
487.525107 1055.606517 -269.838815
1193.649377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1328069227
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4052893641 (a.u.)
total exchange computation time: 2.6288850307 s
679.52498877
-1084.72315544
89.64491242
-388.51589547
-174.93981491
78.77879507
551.60419304
0.00000000
-931.41425400
3.90718117 -30.75929378 -2.27767307
0.00003018 0.00017001 0.00003803
0.00774988 -0.02632372 0.00328795
-11.78857748 -2.13684254 -9.15473111
0.00033395 0.00029463 -0.00013848
0.00113408 0.02952536 0.00037089
-37.44517784 2.45409694 -0.06647884
-0.00004540 0.00012585 0.00015439
0.02691835 -0.03493285 0.00508121
-11.53675611 -3.98468358 3.84420914
-0.00019618 -0.00010821 -0.00008864
-0.01354787 0.04005445 0.01122763
4.59779232 -3.86904472 9.47220727
-0.00034531 0.00004513 -0.00027916
0.00016535 0.00418377 -0.00339955
-31.88947049 -0.94543792 -0.64161533
0.00007510 0.00054880 0.00016805
-0.02605439 0.04031124 0.01663658
14.95429462 12.58348505 -14.02250981
-0.00028863 0.00000821 0.00022262
-0.02576062 0.01635288 -0.04703449
-7.71180996 5.87168145 2.45721755
0.00005921 0.00029544 0.00025282
-0.00671759 0.02560387 0.04456149
7.47163053 12.56412549 -5.58685700
0.00022756 0.00012928 -0.00027031
-0.00614481 0.00351107 -0.02642986
8.91385733 9.82470010 -19.05104556
-0.00012077 0.00006062 0.00007036
-0.00911951 -0.01117978 -0.00439963
23.28663303 17.36912664 -2.11712539
0.00022556 -0.00017235 -0.00000978
0.00438804 -0.00717288 -0.00609629
2.25964517 16.90109587 -19.22797647
0.00017388 0.00001055 -0.00043168
-0.02982035 0.03241483 -0.03687865
14.08913678 -1.42153596 -5.34793557
-0.00008580 0.00026548 -0.00016808
-0.02219138 0.00275415 -0.01134039
-16.11018659 -1.81172114 3.25807833
-0.00004697 0.00036259 -0.00023474
-0.01364824 0.03536251 0.01227012
-16.98459163 -1.75411805 19.38764022
0.00022991 -0.00019663 -0.00032729
0.01311088 -0.01566124 -0.01046817
0.27089904 2.12583303 -5.11620332
0.00018962 -0.00027082 0.00024647
0.01577494 -0.01526457 -0.00609421
22.36817610 -7.18248992 -8.97009706
0.00038842 -0.00009020 0.00008733
-0.01275936 0.02533700 0.00813061
-0.47620300 -6.42927316 7.24463794
-0.00023678 -0.00000359 0.00005356
-0.01075223 -0.01401937 -0.00516568
-1.87120399 -1.47260950 -19.29046208
0.00011437 0.00035421 -0.00009743
0.01614742 0.00266481 0.01451151
3.35479423 2.22829951 -9.28287424
-0.00011780 -0.00022320 -0.00005015
-0.02188863 0.00118376 -0.02522017
-3.70658583 18.01946211 12.15782384
-0.00018349 -0.00028992 0.00021856
-0.01609946 -0.00561121 -0.02569325
-3.73877173 4.98730913 -11.29412687
-0.00028870 0.00001372 0.00043842
0.00568441 0.00407475 -0.02782984
-8.15513504 3.22342812 -8.97658753
0.00011625 -0.00034217 -0.00001045
0.01017612 -0.00201468 0.00774973
1.96013649 27.32271184 8.45844599
0.00052734 0.00016630 0.00010063
0.00769416 -0.01480460 0.01059200
10.02561193 -6.18910258 -1.99590163
-0.00029496 0.00000803 0.00011348
0.00672891 -0.00584810 0.01866551
-8.79576545 0.61573739 5.89204270
-0.00000359 0.00031013 0.00014409
-0.01834930 -0.02606525 0.01811675
20.43001669 10.67528233 8.82183202
-0.00015131 0.00010824 0.00019978
0.01369439 0.04246580 -0.00369650
-2.71206320 -2.15930940 -27.16643199
0.00050204 -0.00000756 0.00005174
0.04173812 0.01813680 -0.03753438
-14.29770585 6.07209520 7.47886751
-0.00001402 0.00005244 0.00026103
0.00493177 -0.01264080 0.00322208
-9.86774613 7.20296360 -2.66918108
0.00038509 0.00017019 0.00006266
0.00429468 -0.01028987 0.02799428
-1.70707016 -15.79376185 23.99125978
0.00000386 0.00017095 -0.00056116
-0.01848237 0.00517545 0.00766420
-2.59794274 6.36341863 -6.42434758
-0.00001050 -0.00016865 0.00022165
0.01004833 -0.00806591 0.00365705
-20.30106489 31.09348044 4.54609105
0.00041052 -0.00004761 -0.00036657
-0.01423762 0.02342915 0.01254744
7.57254394 0.03146899 8.08228971
0.00004412 0.00001175 -0.00018126
-0.00138864 -0.02593410 -0.02545206
5.52480441 11.28560506 -13.90287274
0.00008603 0.00022428 0.00007112
-0.02542818 0.03005834 -0.01531796
15.80367495 3.13768196 -1.96782691
-0.00039283 -0.00044922 -0.00001675
-0.00233526 -0.02373188 0.00600052
-4.13639696 13.61481601 -1.14813630
-0.00024663 -0.00007607 0.00046054
0.00680787 -0.00033870 -0.02841783
4.54569131 12.66829787 3.29605513
-0.00009661 -0.00049533 -0.00011069
0.05021815 0.04572956 -0.01056147
24.82171402 -11.79178483 -9.51493467
0.00015052 0.00021489 -0.00033575
0.00092818 0.00616034 0.00007054
16.41530784 -3.93284692 -0.38000787
0.00005916 0.00014335 -0.00012480
-0.01848818 0.03553453 0.00388648
12.94709014 7.87592355 9.86822656
0.00004637 0.00010642 0.00024286
-0.03110237 0.01894194 0.03764086
1.69054405 -13.81065826 17.68489216
-0.00029630 -0.00012813 -0.00003730
0.02091899 0.01771284 0.01208747
-4.41868785 -0.65793287 -14.55775659
0.00017905 -0.00025453 0.00036490
0.03920872 0.03143569 -0.04224284
15.01901840 -8.13794045 -9.04869202
0.00021617 0.00032008 0.00018717
-0.03247250 -0.02664603 -0.04153948
8.81330118 -6.59125521 8.54475124
-0.00034725 -0.00037781 0.00012935
0.01530867 -0.03198493 0.01443854
-21.34830735 2.26158644 22.59901044
0.00000189 0.00008110 0.00035664
0.00308676 -0.00128669 0.02107211
25.84469623 -3.14438563 -7.78936931
-0.00009059 -0.00026520 -0.00034817
-0.01279307 0.01404600 0.00181447
9.83204148 -14.14643511 -7.69595595
0.00002703 -0.00005928 -0.00031554
0.01019985 0.03931948 -0.01020526
-6.30659533 -12.13611824 16.74409863
-0.00041532 -0.00036570 0.00024669
-0.00779248 -0.02388996 -0.00356969
8.24133344 3.44498437 -29.48247680
0.00001678 0.00003304 0.00022802
-0.03599491 0.01587357 -0.00815078
10.92656251 15.61565587 15.15994911
-0.00027937 -0.00028026 0.00036255
0.00490537 -0.00888705 0.01761440
28.51794382 6.04826665 -3.02595263
0.00022734 -0.00010311 -0.00007622
-0.03318314 0.02237828 -0.01889355
5.32442853 -31.31792492 -3.38075043
0.00021961 0.00048611 0.00003982
-0.00487433 0.00203443 0.00826838
3.99508286 -31.64815645 -0.64632760
-0.00061311 -0.00033898 -0.00029349
0.00469349 0.01026858 -0.00969556
-11.67129443 -3.82133472 -8.50780501
0.00014323 0.00050237 -0.00041816
-0.00451214 -0.02017214 -0.00257468
-12.62406490 -2.14410811 -10.76784364
-0.00003554 0.00019121 0.00070653
0.00076830 -0.00169848 -0.00110219
-38.85165799 2.15959418 0.98577801
-0.00081838 -0.00008208 0.00001956
-0.01664369 -0.00782663 0.01722188
-37.74948174 4.00675625 -0.90644101
0.00006193 0.00049030 -0.00011009
-0.00624398 0.02749305 -0.01607090
-10.85867696 -5.56460112 3.48912217
0.00003274 -0.00041323 0.00049672
0.01772974 -0.04737853 -0.00891006
-10.11251249 -2.87298766 3.61652153
-0.00105503 0.00032893 0.00004436
0.00271371 0.00790811 0.00138279
5.43389156 -2.33989777 8.83311075
-0.00077856 -0.00120133 -0.00078650
-0.00104667 -0.00385432 0.00202045
4.49831330 -3.50021704 11.26346033
0.00092782 -0.00015049 -0.00045341
-0.00156725 -0.00544458 0.00466744
-33.32338918 -2.06306304 -0.79549929
0.00007678 0.00081836 -0.00014899
-0.00620914 0.00133887 0.00530902
-32.57427984 0.68470242 0.11158563
-0.00027808 -0.00031917 0.00111307
0.00930105 -0.03724022 -0.01430288
14.82906199 12.93831556 -15.97139416
-0.00068015 -0.00023064 -0.00050982
0.00045323 -0.00737264 0.04760328
16.61489442 11.99856250 -13.71674113
-0.00169541 0.00007316 0.00089557
0.02326362 -0.00944245 0.00224302
-8.45729110 7.03405883 1.31579840
-0.00060205 -0.00013289 -0.00024068
-0.00913628 0.01611946 -0.00898930
-7.24231727 4.61992393 1.32738955
-0.00074363 -0.00037083 -0.00045798
0.01747569 -0.04164517 -0.03167189
6.04574668 12.44245063 -6.80280251
0.00019202 -0.00049057 0.00034580
0.02142867 0.00468369 0.01051489
8.91993506 13.67382246 -6.38981236
0.00054565 0.00001160 -0.00079910
-0.02222390 -0.00920479 0.00633323
8.86231017 9.01935331 -20.67776232
-0.00073714 -0.00022215 0.00071125
-0.00979730 -0.00559267 -0.00635419
10.64653534 10.34804805 -19.07434220
-0.00039488 0.00148535 -0.00060891
0.01602911 0.01558681 0.00890426
24.20696114 15.75900895 -2.69414919
-0.00046832 -0.00036481 -0.00020051
-0.01197274 0.02570356 0.01481131
24.56610605 18.69521817 -2.33081541
0.00118682 -0.00152108 -0.00049902
-0.00148132 -0.00187964 0.00100394
1.72273147 17.25757132 -21.11405451
-0.00105664 -0.00102210 -0.00063109
0.01189976 -0.01522705 0.03800042
2.89876278 15.19510104 -19.12957558
-0.00098971 -0.00072842 0.00015871
0.01328320 -0.00959812 -0.00383740
12.93452936 -1.45824256 -6.80171927
-0.00055739 0.00203385 -0.00022779
0.01156343 -0.00113553 -0.00319570
12.89564847 -1.10601436 -3.97885468
0.00070050 -0.00075445 0.00032072
0.01195945 -0.00006211 0.00333743
-17.51803795 -2.97320606 3.51254251
0.00079454 0.00083005 -0.00052114
0.01161501 -0.01233106 -0.00428286
-14.43921268 -2.50868753 3.21730918
0.00018279 0.00033460 0.00104509
0.00226086 -0.02165453 -0.00032298
-16.28704486 -0.08352228 19.82531615
0.00073613 -0.00075517 -0.00027973
0.00100283 -0.00583045 0.00813882
-15.61559286 -3.01399855 19.46951902
-0.00039946 0.00025333 -0.00054361
-0.01074009 0.01834665 0.00587148
-0.74623750 0.55184728 -5.12148777
0.00015129 0.00025898 -0.00056723
-0.00651490 0.01574203 0.00432481
-0.77591679 3.57444979 -4.80758984
0.00009721 0.00037296 -0.00020634
-0.01558465 0.00163633 -0.00129333
23.32304387 -8.63983634 -9.24669453
-0.00020349 -0.00045364 -0.00037989
0.01132064 -0.03903693 -0.00566883
23.63793701 -6.01423491 -8.40762929
0.00004803 0.00107823 -0.00029431
0.00390759 0.01604267 0.00386245
0.54723260 -5.96086932 5.77675984
-0.00005639 0.00035578 -0.00011459
-0.00037129 0.00658494 0.00859272
-0.40471812 -5.18000830 8.55471641
0.00054659 0.00028622 -0.00034461
0.00901093 0.00244074 -0.00048159
-1.03744893 -2.98963541 -18.68739651
0.00016024 -0.00093286 0.00001672
-0.00040548 0.00082165 -0.00416775
-3.22024480 -2.04855188 -20.34478072
0.00089378 -0.00040781 -0.00032653
-0.01649241 -0.00671677 -0.00990698
2.86280715 2.48626503 -11.10600892
-0.00047451 -0.00092522 0.00034747
0.00751010 0.00157590 0.03193531
1.81433560 2.48538160 -8.20808112
-0.00030053 0.00084928 -0.00005107
0.01863342 -0.00106318 -0.00412189
-2.40139225 16.90356080 12.71200298
-0.00040203 0.00020353 -0.00009516
0.01593266 -0.02458992 -0.00405632
-3.52944635 19.24156199 13.42196743
0.00051515 0.00045748 -0.00026573
-0.00504462 0.03036329 0.02700392
-4.37838107 6.41372245 -12.45033091
-0.00084107 0.00056001 0.00033725
0.02150653 -0.04416490 0.02168622
-2.90636252 3.47133218 -12.10859264
0.00032428 -0.00020421 -0.00035893
-0.02788545 0.03607912 0.00134128
-7.69387890 2.28860050 -7.47423141
-0.00035831 0.00002371 -0.00019367
-0.00500141 -0.00395124 0.00001652
-6.49418815 3.79743741 -9.52872487
0.00159400 -0.00023495 0.00025346
-0.00936256 0.00240501 -0.00681907
1.98165789 28.22278079 6.88803357
0.00029322 -0.00004969 0.00075414
0.00251596 0.00930505 -0.01151359
0.29439495 27.55202303 9.08662053
-0.00002758 0.00052376 0.00015628
-0.01136702 0.00693552 0.00384334
10.89928224 -6.86023798 -0.45255407
-0.00014029 -0.00101273 -0.00005361
-0.01214330 0.00225311 -0.02091669
8.78234088 -7.45311978 -2.50867129
-0.00032812 0.00024088 -0.00085756
0.00789635 0.00424157 0.00663039
-7.00181799 0.21645453 6.31073661
0.00038842 0.00003862 -0.00001218
-0.01070492 -0.00185304 0.00291682
-9.75497123 -0.67564961 6.92007429
0.00140394 -0.00044418 -0.00033664
0.01780940 0.03006238 -0.01903117
21.61849651 10.35278412 10.18775272
0.00021570 -0.00062753 -0.00099942
-0.00365889 -0.00542627 0.00046682
20.79322782 12.56145716 8.53739514
0.00053377 -0.00006143 -0.00067729
-0.00857570 -0.03163843 -0.00124976
-1.63136568 -3.16794834 -26.15509576
-0.00001373 -0.00057698 -0.00110312
0.01418775 -0.01852186 0.01417162
-4.31141438 -2.26766014 -26.49615325
0.00028419 0.00023695 -0.00084769
-0.04998947 -0.00085247 0.02164295
-14.37863264 7.12459946 8.95421438
0.00032967 0.00042933 0.00001607
-0.00316339 0.00467529 -0.00145687
-14.72821169 7.16330294 6.09459346
-0.00119677 0.00039731 0.00097222
-0.00219578 0.00706440 -0.00303233
-11.21280835 6.63256559 -3.71694156
0.00022276 0.00031514 0.00078532
-0.00554113 0.00806583 -0.01190015
-8.70314658 8.23229582 -3.60791992
-0.00003618 0.00021005 0.00024532
0.00154420 0.00580499 -0.01575324
-1.07110720 -17.50462610 23.45634547
0.00015435 0.00010362 -0.00013828
-0.01592786 0.01304858 0.00692205
-3.53033612 -15.68435986 24.53389489
-0.00130585 0.00048950 0.00030917
0.03650768 -0.01389138 -0.01539889
-3.10121015 5.59332254 -8.01392302
0.00063558 -0.00017091 -0.00067087
0.00332986 0.00696647 -0.00183242
-3.72290064 7.76235917 -6.15213865
-0.00021442 0.00072769 -0.00017791
-0.01533218 0.00640255 0.00095290
-21.27887222 30.43116528 3.12692073
0.00124673 0.00107957 -0.00025903
-0.01370435 -0.00721555 0.00196850
-21.41770734 32.39002277 5.37917874
0.00055358 -0.00036784 0.00010411
0.01086431 -0.03158504 -0.00928458
6.96235384 -0.35850916 6.27083240
0.00016890 0.00046345 -0.00030682
0.00754519 0.01969705 0.02776537
7.28219957 1.72127228 8.64814738
0.00058978 0.00049811 -0.00087162
-0.00675082 0.01010735 -0.01336657
6.63221356 12.69831347 -13.46440764
0.00032343 0.00084811 -0.00077555
0.00800222 -0.00453420 -0.00344202
4.40265915 12.20885295 -15.17533557
0.00041518 -0.00057634 0.00103388
0.02426855 -0.02479232 0.02860118
14.50979282 4.06629689 -2.84803610
-0.00008748 -0.00096804 -0.00077905
-0.00319027 0.00842018 -0.00050025
15.22974607 1.36981959 -2.02944643
-0.00025694 0.00023808 0.00033473
0.00991148 0.01701764 -0.00101608
-2.44828707 13.50281604 -0.51349031
-0.00014426 0.00018139 -0.00031362
0.00073838 -0.00450406 0.00699093
-5.36022128 13.08765408 0.07861021
-0.00028425 -0.00048977 0.00012150
-0.00593182 -0.00609275 0.01861721
3.79267585 11.10730671 3.57485781
0.00047627 0.00017837 -0.00047561
-0.02609111 -0.05379551 0.00782956
6.37293409 12.35234188 3.63655522
0.00050134 -0.00030280 0.00002587
-0.01747884 0.00178814 -0.00966996
25.22595047 -13.38306540 -8.75557629
0.00061658 0.00043281 0.00025144
-0.00472855 -0.00510984 0.00797299
25.96466002 -11.62530449 -10.92834797
0.00035983 0.00000252 0.00124864
0.00619537 0.00087789 -0.01636528
14.65877473 -4.01035217 -0.94086422
0.00007116 -0.00050163 -0.00022535
0.02085835 0.00245631 0.00719371
17.18895243 -5.47863630 -0.80359207
-0.00037784 0.00062070 -0.00007261
0.00983512 -0.03062437 -0.00824415
11.81497327 8.09202155 11.43562882
0.00064665 -0.00000089 0.00045894
0.02523257 -0.01452155 -0.02397002
12.83205322 9.58205201 9.19348927
0.00039038 -0.00025011 0.00022772
0.01205939 0.00091426 -0.00539496
0.06695714 -14.40080561 17.03136127
-0.00065798 -0.00055873 0.00004796
-0.00223080 0.00865049 0.00060100
1.74378499 -12.01409079 18.23554578
0.00029271 -0.00029745 0.00029895
-0.01111851 -0.02846446 -0.01203536
-4.15562892 -2.10199662 -13.54322732
0.00045919 0.00016981 -0.00056856
0.00486321 -0.02234878 0.01551112
-3.04455398 -0.59910843 -15.94079623
-0.00024749 0.00064553 0.00025637
-0.03406266 -0.00932399 0.02798325
14.50807624 -8.12162231 -10.92259159
-0.00124090 0.00064901 0.00094412
0.00595102 -0.01639427 0.02955825
15.88228420 -6.59678013 -9.09792086
0.00057528 0.00092578 -0.00077604
0.03202617 0.03826640 0.00954662
7.33412783 -5.84016060 9.24636347
-0.00055643 -0.00002971 0.00084750
-0.01956476 0.01968818 0.00103451
9.34606291 -5.57522986 7.17311943
0.00001162 -0.00094160 0.00054349
0.00356839 0.01201713 -0.01508647
-20.89245732 2.31493885 20.84973354
-0.00038001 -0.00069975 -0.00078761
-0.00338233 -0.01036872 -0.01169172
-21.80363950 0.55621136 23.19203652
0.00042028 0.00015716 0.00012839
-0.00150556 0.01308751 -0.00971687
26.36949817 -2.87634031 -6.05709387
0.00009212 -0.00019341 -0.00044622
0.00686606 0.00002434 0.00441071
25.21814806 -1.43574879 -8.18524635
-0.00047430 0.00011978 0.00009589
0.00594040 -0.00837426 -0.00364059
9.07044136 -15.76493049 -7.60002700
-0.00054410 0.00007279 0.00009809
-0.00743129 -0.02695465 0.00001891
8.60184074 -12.90324352 -7.13361849
-0.00012404 0.00020264 -0.00009691
0.00729908 -0.00270285 0.00291930
-5.53055021 -10.99233643 17.86535825
-0.00056956 -0.00076260 0.00010114
0.01351280 0.02037202 0.01926124
-7.10914939 -11.10625251 15.49006777
-0.00115340 -0.00053467 0.00016247
0.00117233 0.00647527 -0.01179122
9.49209483 2.17104101 -29.53506971
-0.00162846 -0.00097874 0.00070486
0.00882487 -0.01778147 -0.01155145
6.82917459 3.14839915 -30.69880022
-0.00040072 0.00067326 -0.00012792
0.01529696 -0.01041407 0.01870593
12.54730896 14.77091560 14.71536686
0.00033919 0.00053111 0.00006403
0.00159938 0.00110732 -0.02060256
11.31939500 16.11627040 16.88934696
-0.00026574 -0.00086789 -0.00078984
-0.00874978 0.00423979 0.00509242
28.93797896 5.06715805 -4.50619100
0.00063019 -0.00023968 -0.00023275
0.00856705 -0.00768057 -0.00240690
26.76859082 6.62640323 -3.51093052
0.00006466 -0.00052661 -0.00098317
0.01821148 0.00002914 0.01219370
-9.96845610 4.91576034 6.93228962
0.00003491 -0.00007172 -0.00017050
0.00118442 -0.00838270 -0.00804314
-8.66674322 13.24370072 2.58341387
-0.00004201 0.00007967 0.00004056
0.00104554 -0.00126791 -0.00496270
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09474092
0.31951308
425.73515470
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4117913431 (a.u.)
total exchange computation time: 2.7145080566 s
-154.2671866220
-931.41375636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4110356693 (a.u.)
total exchange computation time: 2.7147810459 s
-154.2739309212
Anderson extrapolation: theta=1.3897403610 (1.3897403610)
-931.41399699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4098507534 (a.u.)
total exchange computation time: 2.7153630257 s
-154.2839792121
Anderson extrapolation: theta=0.0690490860 (0.0690490860)
-931.41415027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4096649821 (a.u.)
total exchange computation time: 2.7151508331 s
-154.2852291511
Anderson extrapolation: theta=2.2855955562 (2.0000000000)
-931.41415940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4092622132 (a.u.)
total exchange computation time: 2.7142050266 s
-154.2877980809
Anderson extrapolation: theta=0.3974494668 (0.3974494668)
-931.41417172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.4091032817 (a.u.)
total exchange computation time: 2.7130551338 s
-154.2886852378
Anderson extrapolation: theta=1.0675154268 (1.0675154268)
-931.41417532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4089625960 (a.u.)
total exchange computation time: 2.7151920795 s
-154.2893379441
Anderson extrapolation: theta=0.5106466882 (0.5106466882)
-931.41417818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4089240917 (a.u.)
total exchange computation time: 2.7133250237 s
-154.2893776328
Anderson extrapolation: theta=0.8151834756 (0.8151834756)
-931.41417933
-71.773342 23.400791 142.768265
559.310904 1032.247718 -412.673417
487.537561 1055.648509 -269.905152
1193.706597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4089204177 (a.u.)
total exchange computation time: 2.7144680023 s
679.55781092
-1084.81218960
89.64980252
-388.45426053
-174.94642288
78.83157683
551.60419304
0.00000000
-931.41417999
3.90766371 -30.75684517 -2.27708993
0.00003421 0.00015649 0.00003945
0.00793803 -0.02625952 0.00224552
-11.78356382 -2.13230913 -9.15680690
0.00033499 0.00031009 -0.00013746
0.00289941 0.03056140 0.00361886
-37.44575497 2.45584998 -0.06414345
-0.00003271 0.00010839 0.00015736
0.02242658 -0.03298150 0.00646442
-11.53975112 -3.98615223 3.84292282
-0.00020362 -0.00008882 -0.00008286
-0.01535412 0.03536410 0.01125020
4.59261331 -3.86835157 9.46800673
-0.00034592 0.00004565 -0.00028076
-0.00254824 -0.00215895 -0.00280086
-31.88844443 -0.93705049 -0.63903034
0.00006187 0.00056922 0.00017662
-0.02542612 0.03912690 0.01668071
14.94986574 12.58367121 -14.01935190
-0.00030462 0.00001760 0.00019741
-0.03641476 0.02016934 -0.05102521
-7.71094769 5.87621188 2.46118168
0.00005606 0.00030760 0.00027385
-0.00555712 0.02167915 0.03724830
7.47502025 12.56607830 -5.59101357
0.00022492 0.00013112 -0.00028351
-0.00411578 0.00360942 -0.02490095
8.91201058 9.82556620 -19.05000719
-0.00012510 0.00005545 0.00006894
-0.00770404 -0.00891887 -0.00112029
23.29003339 17.36651367 -2.11729566
0.00022755 -0.00017629 -0.00001298
0.00332970 -0.00815374 -0.00634129
2.26213829 16.90137919 -19.23459396
0.00015849 0.00002639 -0.00045074
-0.03000923 0.02916987 -0.03723533
14.08776410 -1.41754311 -5.35050058
-0.00009709 0.00026683 -0.00017473
-0.02169212 0.00250123 -0.01449056
-16.11094381 -1.80614592 3.25460451
-0.00005221 0.00038154 -0.00022877
-0.00670346 0.03835499 0.01096273
-16.98109248 -1.75712789 19.38269051
0.00023557 -0.00020424 -0.00033287
0.00889968 -0.01393882 -0.01121940
0.27380414 2.12171179 -5.11252973
0.00019755 -0.00027715 0.00024346
0.01505673 -0.00934416 -0.00561035
22.37395318 -7.18374522 -8.96875567
0.00038204 -0.00007662 0.00009166
-0.01203860 0.02747887 0.00868996
-0.47979625 -6.42938106 7.24542145
-0.00024190 -0.00001052 0.00005034
-0.00912304 -0.01292290 -0.00736691
-1.86942609 -1.46728614 -19.29186761
0.00012374 0.00035368 -0.00008910
0.02026783 -0.00469723 0.01790439
3.35294274 2.22495612 -9.28372376
-0.00012940 -0.00022259 -0.00006229
-0.02321366 0.00115879 -0.02197468
-3.70940022 18.01509173 12.16100314
-0.00019252 -0.00029156 0.00020559
-0.01903783 -0.00079077 -0.02474263
-3.74308037 4.98753072 -11.28765792
-0.00028551 0.00001553 0.00042324
0.00675007 0.00295105 -0.03119414
-8.15335202 3.21828774 -8.97671433
0.00012332 -0.00034204 -0.00000787
0.01731370 0.00252203 0.00227889
1.96807620 27.32514928 8.45999636
0.00052993 0.00015825 0.00010770
0.00241546 -0.01650741 0.01689592
10.02121341 -6.18900462 -1.99412743
-0.00029142 0.00000471 0.00012327
0.00703643 -0.00709503 0.01939796
-8.79589011 0.62028885 5.89427395
-0.00001182 0.00029684 0.00015322
-0.01363121 -0.02564255 0.01736858
20.42779983 10.67706977 8.82481440
-0.00014481 0.00013013 0.00019700
0.01160175 0.04266392 -0.00710789
-2.70437163 -2.15935286 -27.16580062
0.00052285 0.00000259 0.00003159
0.03918969 0.02132455 -0.04082340
-14.29789718 6.07283301 7.48279540
-0.00001153 0.00004615 0.00026276
0.00475280 -0.01180320 0.00348937
-9.86195318 7.20547677 -2.66813325
0.00038738 0.00016474 0.00007784
0.00460379 -0.01091775 0.03105827
-1.70708361 -15.79117764 23.98287198
-0.00000758 0.00017396 -0.00055655
-0.02598815 0.00652835 0.01024492
-2.59806153 6.36085769 -6.42100876
-0.00000644 -0.00017212 0.00022290
0.00576015 -0.00540084 0.00122730
-20.29496206 31.09285667 4.54064093
0.00040407 -0.00003526 -0.00035887
-0.01083046 0.02460930 0.01740693
7.57320031 0.03154519 8.07947267
0.00004330 -0.00000115 -0.00019427
-0.00176254 -0.02422207 -0.02515611
5.52599682 11.28908523 -13.90186506
0.00007443 0.00023957 0.00006446
-0.01970553 0.02938882 -0.01059175
15.79777351 3.13085207 -1.96805502
-0.00039362 -0.00046023 -0.00001355
-0.00072973 -0.01905634 0.00644865
-4.14007018 13.61367361 -1.14133782
-0.00024349 -0.00007614 0.00044557
0.00541979 0.00006822 -0.02980179
4.54443582 12.66104426 3.29435409
-0.00006926 -0.00047013 -0.00011632
0.05615209 0.05228361 -0.01135960
24.82397542 -11.78853773 -9.51997062
0.00014989 0.00021735 -0.00033395
-0.00339522 0.00340336 0.00692471
16.41612399 -3.93055957 -0.38186482
0.00004901 0.00016252 -0.00012262
-0.02098801 0.03900837 0.00455677
12.94766578 7.87759290 9.87201467
0.00003073 0.00011542 0.00026218
-0.02974407 0.01607343 0.03748668
1.68618022 -13.81251191 17.68437923
-0.00028592 -0.00011953 -0.00003140
0.01945964 0.01572161 0.01087982
-4.41585089 -0.66162963 -14.55244597
0.00019863 -0.00023678 0.00034239
0.03695202 0.03762346 -0.04530976
15.02213562 -8.13324209 -9.04604466
0.00020020 0.00030810 0.00016630
-0.02960703 -0.01992638 -0.03963457
8.80815153 -6.59704566 8.54674719
-0.00034077 -0.00039447 0.00013827
0.00988259 -0.03281790 0.02023733
-21.34826708 2.26279805 22.60444131
0.00000421 0.00008077 0.00036518
0.00594421 -0.00002932 0.01213992
25.84328808 -3.14830951 -7.79458493
-0.00009737 -0.00025737 -0.00034737
-0.01357974 0.01640018 0.00131295
9.83248621 -14.14717259 -7.70072843
0.00003156 -0.00003908 -0.00032052
0.00743928 0.03923085 -0.00917262
-6.31285525 -12.14169590 16.74778523
-0.00041994 -0.00037822 0.00024382
-0.01016358 -0.02479871 -0.00758729
8.24144626 3.44554126 -29.47908798
-0.00000284 0.00004177 0.00022336
-0.04028031 0.01806210 -0.00994025
10.92239087 15.61141774 15.16545530
-0.00027683 -0.00028552 0.00036926
0.00496544 -0.01157568 0.00848166
28.52122592 6.04680631 -3.02716886
0.00021013 -0.00009181 -0.00008666
-0.03374622 0.02158291 -0.02168594
5.32757327 -31.31057095 -3.37989978
0.00019913 0.00049398 0.00007416
-0.00514840 0.00181834 0.00854391
3.98603000 -31.65292642 -0.65102708
-0.00059304 -0.00029756 -0.00033187
0.00513254 0.01000672 -0.00908942
-11.66928423 -3.81441724 -8.51415631
0.00012543 0.00041677 -0.00042606
-0.00420067 -0.02173355 -0.00129030
-12.62457447 -2.14129197 -10.75727947
-0.00003677 0.00018528 0.00069314
-0.00136799 -0.00120317 -0.00545085
-38.86444373 2.15812308 0.98659911
-0.00087798 -0.00011190 0.00008286
-0.01252790 -0.00676808 0.01376682
-37.74874416 4.01495316 -0.90858488
0.00003717 0.00059532 -0.00017213
-0.00587478 0.02391598 -0.01429802
-10.85764250 -5.57225142 3.49629997
0.00010349 -0.00059947 0.00046156
0.01690204 -0.04378526 -0.00830220
-10.12825473 -2.86781142 3.61722931
-0.00103839 0.00036380 0.00004873
0.00542842 0.00916284 0.00075640
5.42218114 -2.35803586 8.82137509
-0.00077686 -0.00120519 -0.00078327
0.00187499 0.00196457 -0.00043781
4.51218255 -3.50264127 11.25680217
0.00092051 -0.00017124 -0.00043021
-0.00200834 -0.00471057 0.00669142
-33.32242777 -2.05074663 -0.79757153
0.00005023 0.00082145 -0.00012772
-0.00678647 0.00017330 0.00510517
-32.57816598 0.67877367 0.12784341
-0.00024019 -0.00046702 0.00105498
0.00924329 -0.03513019 -0.01413466
14.81887365 12.93463010 -15.97758271
-0.00067641 -0.00026186 -0.00031054
0.00137733 -0.00791088 0.04994405
16.59017619 11.99937051 -13.70323888
-0.00158060 0.00002810 0.00090732
0.03293693 -0.01261297 0.00350720
-8.46660184 7.03255942 1.31191272
-0.00063714 -0.00007021 -0.00027335
-0.00803855 0.01456241 -0.00700290
-7.25293625 4.61308533 1.31954927
-0.00067640 -0.00052974 -0.00057678
0.01543479 -0.03613994 -0.02647921
6.04928356 12.43523560 -6.79729328
0.00027601 -0.00047113 0.00038526
0.01968872 0.00483283 0.00879891
8.92743881 13.67371432 -6.40160481
0.00045349 -0.00002652 -0.00077218
-0.02289099 -0.00945416 0.00684684
8.85095279 9.01584972 -20.66728833
-0.00077651 -0.00024784 0.00067967
-0.00947402 -0.00698375 -0.00910514
10.64110335 10.37080592 -19.08320301
-0.00033257 0.00154739 -0.00057354
0.01447345 0.01478114 0.00841149
24.19956939 15.75432448 -2.69670299
-0.00051706 -0.00026182 -0.00014016
-0.01188602 0.02470776 0.01473127
24.58386301 18.67234439 -2.33826993
0.00118154 -0.00152451 -0.00049415
-0.00110643 0.00019910 0.00138027
1.70724655 17.24177321 -21.12235645
-0.00100604 -0.00108271 -0.00047467
0.01286785 -0.01444416 0.03856836
2.88432411 15.18388057 -19.12731247
-0.00093685 -0.00076248 0.00014289
0.01259325 -0.00707436 -0.00391044
12.92652280 -1.42776957 -6.80523412
-0.00050780 0.00202832 -0.00023708
0.01271324 -0.00157417 -0.00135162
12.90652241 -1.11733305 -3.97394160
0.00074603 -0.00075349 0.00033719
0.01032848 0.00053478 0.00472493
-17.50576391 -2.96113318 3.50459414
0.00083107 0.00077132 -0.00053617
0.00626832 -0.01641585 -0.00307469
-14.43640161 -2.50433202 3.23297566
0.00018875 0.00024753 0.00104349
0.00066097 -0.02097092 -0.00046267
-16.27597222 -0.09502845 19.82136954
0.00074106 -0.00077338 -0.00024489
0.00140982 -0.00308574 0.00891960
-15.62191390 -3.00963636 19.46154482
-0.00043506 0.00031915 -0.00051920
-0.00668679 0.01387040 0.00607406
-0.74416781 0.55621436 -5.12986373
0.00012171 0.00031829 -0.00054889
-0.00796358 0.01329007 0.00465585
-0.77493625 3.58009435 -4.81072454
0.00003798 0.00037306 -0.00021283
-0.01340624 -0.00158833 -0.00188361
23.32033844 -8.64783716 -9.25256665
-0.00015705 -0.00060885 -0.00040177
0.01141267 -0.03694102 -0.00504189
23.63877724 -5.99756988 -8.41192555
0.00006083 0.00113651 -0.00028111
0.00235729 0.01248790 0.00259597
0.54637538 -5.95533080 5.77530433
-0.00006017 0.00038034 -0.00007709
-0.00147940 0.00543484 0.00976004
-0.39624313 -5.17564018 8.54953256
0.00058270 0.00029604 -0.00034497
0.00866679 0.00236414 0.00030363
-1.03505770 -3.00360309 -18.68727349
0.00015272 -0.00091513 -0.00000469
-0.00327483 0.00785758 -0.00630894
-3.20734354 -2.05487484 -20.34998230
0.00082368 -0.00043450 -0.00036904
-0.01782018 -0.00634892 -0.01090237
2.85591958 2.47243509 -11.09981827
-0.00044392 -0.00091779 0.00047248
0.00746508 0.00206066 0.02925635
1.81039860 2.49808819 -8.20897341
-0.00022133 0.00084334 -0.00006884
0.02013806 -0.00184148 -0.00458059
-2.40693441 16.90586023 12.71045128
-0.00032992 0.00009670 -0.00010876
0.01936539 -0.02770455 -0.00259970
-3.52187363 19.24935468 13.41880895
0.00049408 0.00057705 -0.00015996
-0.00527351 0.02816280 0.02477070
-4.39033815 6.42076919 -12.44460757
-0.00075141 0.00037611 0.00042868
0.02238433 -0.04585560 0.02306753
-2.90235279 3.46937467 -12.11393545
0.00020676 -0.00005104 -0.00034960
-0.02964369 0.03889458 0.00322562
-7.69940684 2.28883504 -7.47713601
-0.00037712 0.00000404 -0.00018746
-0.00420342 -0.00567690 0.00302574
-6.47056498 3.79398693 -9.52513192
0.00153939 -0.00023061 0.00023046
-0.01737268 -0.00028476 -0.00443943
1.98613327 28.22232055 6.89899282
0.00030419 -0.00000668 0.00069707
0.00285503 0.01174773 -0.01642302
0.29363287 27.56009200 9.08908257
-0.00006418 0.00055046 0.00016881
-0.00654848 0.00613506 0.00228664
10.89680584 -6.87535994 -0.45399912
-0.00019172 -0.00100177 -0.00014139
-0.01303478 0.00311504 -0.02205473
8.77766099 -7.44937665 -2.52133151
-0.00029466 0.00025903 -0.00082948
0.00848290 0.00464530 0.00711251
-6.99631979 0.21697711 6.31064325
0.00034089 0.00003327 -0.00000204
-0.01256005 -0.00076559 0.00204620
-9.73336646 -0.68139112 6.91444153
0.00147113 -0.00032468 -0.00041084
0.01508222 0.02843192 -0.01729255
21.62161988 10.34320484 10.17277579
0.00020550 -0.00064993 -0.00099193
-0.00133176 -0.00553845 0.00319902
20.80097164 12.55956613 8.52719752
0.00049810 -0.00019078 -0.00068076
-0.00888913 -0.03167774 -0.00044997
-1.63113684 -3.17717056 -26.17120830
0.00004940 -0.00065818 -0.00103901
0.01671240 -0.02122581 0.01721190
-4.30868343 -2.26413198 -26.50820539
0.00007971 0.00023301 -0.00075912
-0.05010392 -0.00107810 0.02171120
-14.37378446 7.13118266 8.95441086
0.00031731 0.00044736 0.00001151
-0.00288663 0.00415254 -0.00077807
-14.74623052 7.16947907 6.10908379
-0.00120565 0.00042524 0.00095817
-0.00215342 0.00660804 -0.00384289
-11.20963668 6.63753984 -3.70552645
0.00019598 0.00034642 0.00073342
-0.00756973 0.00724789 -0.01350211
-8.70364203 8.23562439 -3.60472292
-0.00002689 0.00023620 0.00017828
0.00300381 0.00699850 -0.01705862
-1.06928001 -17.50267200 23.45448344
0.00008854 0.00015618 -0.00010995
-0.01628978 0.01268067 0.00694572
-3.54880521 -15.67744296 24.53806055
-0.00114148 0.00043092 0.00024110
0.04395483 -0.01478390 -0.01792297
-3.09157437 5.59097232 -8.02404227
0.00065084 -0.00013832 -0.00067105
0.00413783 0.00898734 0.00174467
-3.72658670 7.77347072 -6.15477818
-0.00027005 0.00074424 -0.00017622
-0.01190309 0.00170035 -0.00012325
-21.26059119 30.44713776 3.12309557
0.00118423 0.00104529 -0.00026035
-0.01689222 -0.00956832 -0.00261212
-21.40907077 32.38353727 5.38045590
0.00059698 -0.00049538 0.00006615
0.01038361 -0.03084695 -0.00929575
6.96511860 -0.35095388 6.26708098
0.00019879 0.00054245 -0.00019652
0.00708619 0.01897663 0.02622591
7.29083942 1.72905365 8.63466348
0.00056290 0.00053679 -0.00092658
-0.00640649 0.00882523 -0.01353464
6.63731027 12.71089618 -13.47614636
0.00035362 0.00082478 -0.00079020
0.00677339 -0.00688512 -0.00372710
4.40963054 12.19944810 -15.15895096
0.00050542 -0.00067175 0.00114094
0.01990356 -0.02191241 0.02380397
14.50838281 4.05203436 -2.85973720
-0.00010083 -0.00093237 -0.00078156
-0.00334454 0.00904033 -0.00072977
15.22619572 1.37391224 -2.02445660
-0.00021927 0.00029700 0.00033054
0.00852609 0.01182643 -0.00103795
-2.45042831 13.50539884 -0.51798034
-0.00013907 0.00016229 -0.00028322
0.00180284 -0.00484478 0.00788721
-5.36466673 13.08012076 0.08100315
-0.00030756 -0.00051471 0.00019829
-0.00548296 -0.00611400 0.01897556
3.79902035 11.10833380 3.56796364
0.00036432 -0.00005386 -0.00044103
-0.02870781 -0.05988286 0.00909683
6.37991863 12.34785468 3.63664693
0.00042348 -0.00029493 -0.00001494
-0.02063483 0.00206371 -0.01030489
25.23505431 -13.37672981 -8.75156032
0.00059569 0.00041455 0.00028364
-0.00549926 -0.00383072 0.00778682
25.97024730 -11.62523973 -10.91011990
0.00039515 0.00000855 0.00116868
0.01109538 0.00207366 -0.02277157
14.66048133 -4.01780135 -0.94402406
0.00015574 -0.00049057 -0.00019546
0.02054440 0.00295840 0.00743834
17.18358626 -5.47026416 -0.80493379
-0.00033243 0.00048720 -0.00010805
0.01239351 -0.03472919 -0.00910773
11.82544618 8.09156324 11.44177846
0.00074761 -0.00005960 0.00036238
0.02418969 -0.01421973 -0.02329799
12.83827849 9.57832833 9.19673981
0.00043879 -0.00024148 0.00020416
0.01163615 0.00331370 -0.00614059
0.05701909 -14.40892149 17.03209914
-0.00066256 -0.00052076 0.00005242
-0.00000946 0.00993709 0.00157873
1.74783494 -12.01942473 18.23966128
0.00024615 -0.00041232 0.00024985
-0.01167100 -0.02776571 -0.01199917
-4.14859201 -2.10013425 -13.55128048
0.00048117 0.00006691 -0.00049767
0.00589536 -0.02802299 0.01919190
-3.04931008 -0.58971120 -15.93609319
-0.00038417 0.00060649 0.00036873
-0.03284334 -0.00978492 0.02701818
14.48964504 -8.11238955 -10.90752410
-0.00121649 0.00058146 0.00106105
0.00599920 -0.01667180 0.02768274
15.89189483 -6.58172084 -9.10926895
0.00069956 0.00106925 -0.00073684
0.02880757 0.03196320 0.00964254
7.32518192 -5.84000288 9.25910772
-0.00062729 0.00004701 0.00084625
-0.01512545 0.01786327 -0.00164679
9.34634651 -5.58898567 7.18080951
0.00002802 -0.00088688 0.00047540
0.00445964 0.01476818 -0.01824257
-20.89826115 2.30412484 20.83756112
-0.00039774 -0.00074135 -0.00081977
-0.00529774 -0.00999587 -0.00405269
-21.79738140 0.55896977 23.19366467
0.00041280 0.00020728 0.00009084
-0.00215833 0.01144950 -0.00866519
26.37109044 -2.87924078 -6.06365207
0.00012035 -0.00019367 -0.00042778
0.00694816 -0.00014728 0.00461961
25.21121557 -1.43420872 -8.18391959
-0.00044836 0.00008125 0.00008131
0.00675764 -0.01048624 -0.00349581
9.06205213 -15.76466466 -7.59855507
-0.00057170 -0.00003417 0.00009790
-0.00607878 -0.02540396 -0.00011210
8.60020382 -12.90028681 -7.13498274
-0.00009058 0.00018900 -0.00008644
0.00907912 -0.00397111 0.00220568
-5.53867948 -11.00315114 17.86746563
-0.00051182 -0.00067458 0.00018336
0.01474735 0.02271194 0.02098647
-7.12641453 -11.11407409 15.49214344
-0.00114569 -0.00051078 0.00011864
0.00260573 0.00521882 -0.00966043
9.46793841 2.15581498 -29.52485074
-0.00158751 -0.00105648 0.00065800
0.01121616 -0.02027211 -0.01138868
6.82363260 3.15817890 -30.70014581
-0.00033509 0.00063120 -0.00004832
0.01682962 -0.01017173 0.02025823
12.55244585 14.77891621 14.71569598
0.00034386 0.00053603 -0.00002025
0.00068368 0.00129942 -0.02065093
11.31514077 16.10338203 16.87765546
-0.00029839 -0.00084467 -0.00075140
-0.00723083 0.00712564 0.01372143
28.94769431 5.06332747 -4.50975596
0.00066471 -0.00026906 -0.00023857
0.00833209 -0.00669906 -0.00044207
26.77011871 6.61850494 -3.52530445
0.00014053 -0.00052647 -0.00093149
0.01893130 0.00004242 0.01310439
-9.96792927 4.91466202 6.92971057
0.00003532 -0.00007466 -0.00017335
0.00108348 -0.00804220 -0.00788788
-8.66737153 13.24489356 2.58401361
-0.00004178 0.00007937 0.00003943
0.00089010 -0.00129057 -0.00475185
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09618849
0.31799150
423.70773418
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4127367893 (a.u.)
total exchange computation time: 2.7149991989 s
-154.2790077985
-931.41339502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4120815783 (a.u.)
total exchange computation time: 2.7132561207 s
-154.2855018950
Anderson extrapolation: theta=1.3983356027 (1.3983356027)
-931.41363869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4111259941 (a.u.)
total exchange computation time: 2.7140600681 s
-154.2947939672
Anderson extrapolation: theta=0.0709824382 (0.0709824382)
-931.41379448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4110320181 (a.u.)
total exchange computation time: 2.7159368992 s
-154.2956311900
Anderson extrapolation: theta=2.2576276947 (2.0000000000)
-931.41380361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4108497823 (a.u.)
total exchange computation time: 2.7158648968 s
-154.2971981116
Anderson extrapolation: theta=0.3653499897 (0.3653499897)
-931.41381532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4108024654 (a.u.)
total exchange computation time: 2.7133231163 s
-154.2975587007
Anderson extrapolation: theta=1.0601144654 (1.0601144654)
-931.41381829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4107811816 (a.u.)
total exchange computation time: 2.7135770321 s
-154.2976618219
Anderson extrapolation: theta=0.4762452320 (0.4762452320)
-931.41382046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4107975914 (a.u.)
total exchange computation time: 2.7160329819 s
-154.2974642186
Anderson extrapolation: theta=0.8437717986 (0.8437717986)
-931.41382121
-71.748101 23.439354 142.726030
559.303288 1032.235987 -412.689771
487.555188 1055.675341 -269.963741
1193.750773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1347539210
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4108296352 (a.u.)
total exchange computation time: 2.7076601982 s
679.58362738
-1084.87526938
89.65275053
-388.41219290
-174.95190757
78.86646098
551.60419304
0.00000000
-931.41382157
3.90820748 -30.75459914 -2.27648946
0.00003829 0.00014309 0.00004030
0.00793286 -0.02585577 0.00105012
-11.77852778 -2.12753994 -9.15885478
0.00033694 0.00032588 -0.00013473
0.00468482 0.03083717 0.00697876
-37.44615909 2.45734858 -0.06175819
-0.00002251 0.00009217 0.00016098
0.01722362 -0.03009913 0.00762083
-11.54286457 -3.98734805 3.84172329
-0.00021175 -0.00007228 -0.00007717
-0.01626118 0.02895334 0.01089392
4.58741463 -3.86767507 9.46378457
-0.00034798 0.00004286 -0.00028193
-0.00545588 -0.00870120 -0.00177709
-31.88761452 -0.92836119 -0.63631666
0.00004903 0.00058877 0.00018509
-0.02450610 0.03688499 0.01626501
14.94515594 12.58401297 -14.01658764
-0.00032578 0.00002881 0.00017042
-0.04585454 0.02342628 -0.05392804
-7.71012829 5.88090956 2.46543318
0.00005350 0.00031751 0.00029075
-0.00436994 0.01684040 0.02844597
7.47837820 12.56805895 -5.59536224
0.00022340 0.00013297 -0.00029577
-0.00181221 0.00358997 -0.02279700
8.91010440 9.82636350 -19.04897745
-0.00012853 0.00005148 0.00006914
-0.00562587 -0.00648930 0.00189946
23.29345944 17.36383780 -2.11751485
0.00022893 -0.00018059 -0.00001628
0.00205731 -0.00855742 -0.00647421
2.26439990 16.90188754 -19.24149871
0.00014312 0.00004036 -0.00046980
-0.02978034 0.02515210 -0.03689208
14.08622409 -1.41353096 -5.35317739
-0.00010806 0.00026808 -0.00018297
-0.02095645 0.00233583 -0.01754843
-16.11175275 -1.80027480 3.25121527
-0.00005373 0.00040208 -0.00022344
0.00076940 0.04148324 0.00976853
-16.97752467 -1.76024526 19.37765425
0.00023897 -0.00021079 -0.00033883
0.00432445 -0.01151334 -0.01198560
0.27682540 2.11751846 -5.10889942
0.00020508 -0.00028034 0.00024073
0.01423372 -0.00304237 -0.00502396
22.37963739 -7.18478852 -8.96734725
0.00037637 -0.00006236 0.00009622
-0.01001194 0.02798609 0.00905272
-0.48345987 -6.42958865 7.24614813
-0.00024618 -0.00001683 0.00004606
-0.00752077 -0.01163987 -0.00925937
-1.86749183 -1.46199901 -19.29313501
0.00013493 0.00034947 -0.00007924
0.02325497 -0.01170252 0.02041091
3.35091217 2.22162167 -9.28474281
-0.00014152 -0.00022203 -0.00007258
-0.02389044 0.00102751 -0.01806199
-3.71236149 18.01071524 12.16399157
-0.00020284 -0.00029064 0.00019345
-0.02106625 0.00438922 -0.02246799
-3.74733694 4.98777507 -11.28142962
-0.00028179 0.00001677 0.00040661
0.00770759 0.00188216 -0.03347465
-8.15143543 3.21316681 -8.97682354
0.00013383 -0.00033967 -0.00000801
0.02355929 0.00670659 -0.00284763
1.97603454 27.32745937 8.46167709
0.00052980 0.00014943 0.00011787
-0.00293207 -0.01781120 0.02263350
10.01686918 -6.18896139 -1.99220358
-0.00028776 0.00000081 0.00013331
0.00720061 -0.00803736 0.01966050
-8.79611994 0.62464249 5.89663919
-0.00001755 0.00028397 0.00016180
-0.00868444 -0.02440453 0.01600506
20.42567247 10.67918635 8.82774195
-0.00013942 0.00015193 0.00019253
0.00933558 0.04207766 -0.01027547
-2.69637772 -2.15923182 -27.16548418
0.00054187 0.00001418 0.00001021
0.03475977 0.02377575 -0.04233091
-14.29805184 6.07347977 7.48675020
-0.00000917 0.00004039 0.00026455
0.00443476 -0.01059902 0.00349929
-9.85612472 7.20790573 -2.66684582
0.00038983 0.00015900 0.00009442
0.00490849 -0.01138437 0.03342497
-1.70729754 -15.78854307 23.97456322
-0.00002250 0.00017770 -0.00055072
-0.03202423 0.00800972 0.01244722
-2.59813588 6.35825509 -6.41766048
-0.00000457 -0.00017415 0.00022294
0.00151304 -0.00250622 -0.00109473
-20.28894279 31.09242276 4.53532509
0.00039947 -0.00002250 -0.00034880
-0.00707506 0.02501166 0.02172173
7.57384309 0.03143452 8.07646156
0.00004231 -0.00001293 -0.00020694
-0.00212181 -0.02157666 -0.02411906
5.52703720 11.29279214 -13.90093909
0.00006601 0.00025428 0.00006048
-0.01302939 0.02782106 -0.00486243
15.79186644 3.12387516 -1.96823337
-0.00039357 -0.00046859 -0.00001016
0.00090016 -0.01345134 0.00673781
-4.14370158 13.61253173 -1.13476926
-0.00024113 -0.00007607 0.00043006
0.00373256 0.00022831 -0.03052209
4.54361351 12.65419400 3.29256541
-0.00003939 -0.00044218 -0.00012228
0.06000491 0.05638187 -0.01178817
24.82621064 -11.78526437 -9.52495316
0.00014707 0.00021836 -0.00032871
-0.00754415 0.00054520 0.01343912
16.41677822 -3.92797129 -0.38368661
0.00003793 0.00018313 -0.00012015
-0.02212417 0.04111999 0.00506773
12.94801196 7.87938625 9.87609198
0.00001593 0.00012292 0.00028120
-0.02781478 0.01309862 0.03649196
1.68196651 -13.81424426 17.68395023
-0.00027632 -0.00011216 -0.00002618
0.01786657 0.01295444 0.00940706
-4.41272887 -0.66503614 -14.54748490
0.00021688 -0.00021615 0.00031871
0.03402496 0.04257465 -0.04677486
15.02502443 -8.12869746 -9.04370307
0.00018595 0.00029985 0.00014657
-0.02581362 -0.01215079 -0.03708170
8.80307812 -6.60308930 8.54889926
-0.00033713 -0.00041134 0.00015002
0.00427871 -0.03277907 0.02547467
-21.34818095 2.26400942 22.60996584
0.00000799 0.00008113 0.00036914
0.00873495 0.00146342 0.00324259
25.84177515 -3.15210686 -7.79979042
-0.00010451 -0.00024844 -0.00034677
-0.01417458 0.01835149 0.00103239
9.83298833 -14.14760742 -7.70557169
0.00003461 -0.00001925 -0.00032497
0.00443172 0.03787844 -0.00810764
-6.31919357 -12.14746487 16.75141330
-0.00042565 -0.00039094 0.00023906
-0.01204281 -0.02465745 -0.01092757
8.24124833 3.44623751 -29.47577585
-0.00002425 0.00005141 0.00021790
-0.04299641 0.01941902 -0.01132944
10.91825754 15.60709031 15.17102692
-0.00027427 -0.00029215 0.00037117
0.00499081 -0.01419358 -0.00103809
28.52424768 6.04551248 -3.02855239
0.00019281 -0.00008100 -0.00009848
-0.03361545 0.02044660 -0.02429085
5.33040248 -31.30310553 -3.37852550
0.00017782 0.00050082 0.00010940
-0.00528272 0.00152940 0.00870341
3.97729170 -31.65708311 -0.65628361
-0.00057115 -0.00025762 -0.00036712
0.00558352 0.00954398 -0.00816896
-11.66753148 -3.80883172 -8.52058668
0.00010889 0.00032612 -0.00042912
-0.00389748 -0.02264078 -0.00021036
-12.62516787 -2.13854957 -10.74704937
-0.00004675 0.00018145 0.00066214
-0.00351931 -0.00067541 -0.00972589
-38.87799725 2.15623719 0.98826392
-0.00091965 -0.00013704 0.00013137
-0.00787069 -0.00553674 0.00997521
-37.74836661 4.02461578 -0.91160503
0.00001422 0.00068401 -0.00022579
-0.00536171 0.01950007 -0.01196515
-10.85557219 -5.58258514 3.50296896
0.00016944 -0.00076738 0.00042954
0.01537939 -0.03840788 -0.00737203
-10.14366428 -2.86207362 3.61798345
-0.00101108 0.00040341 0.00005061
0.00794370 0.01022765 0.00016446
5.41058564 -2.37605355 8.80961259
-0.00076291 -0.00118481 -0.00079042
0.00495688 0.00801158 -0.00306061
4.52592871 -3.50535420 11.25055411
0.00091153 -0.00018904 -0.00039928
-0.00238709 -0.00400456 0.00844689
-33.32188228 -2.03841959 -0.79933089
0.00002172 0.00081995 -0.00010729
-0.00716737 -0.00090505 0.00489703
-32.58148563 0.67069192 0.14323492
-0.00020326 -0.00060442 0.00099850
0.00883778 -0.03213184 -0.01350925
14.80876973 12.93045981 -15.98071039
-0.00066894 -0.00029492 -0.00010351
0.00227733 -0.00827394 0.05140124
16.56747653 11.99940551 -13.68952168
-0.00142848 -0.00002930 0.00092411
0.04152544 -0.01548355 0.00471538
-8.47640524 7.03195248 1.30759786
-0.00066709 -0.00001481 -0.00029718
-0.00662549 0.01255609 -0.00466041
-7.26260929 4.60403186 1.31008617
-0.00061817 -0.00066350 -0.00067229
0.01306738 -0.02933722 -0.02027284
6.05402709 12.42831676 -6.79124480
0.00035180 -0.00045127 0.00041691
0.01740802 0.00488903 0.00669532
8.93353966 13.67302677 -6.41297764
0.00035912 -0.00006539 -0.00074337
-0.02330099 -0.00956938 0.00725600
8.83901477 9.01191813 -20.65737236
-0.00081436 -0.00027886 0.00063753
-0.00905456 -0.00819980 -0.01152117
10.63655837 10.39446968 -19.09154832
-0.00027810 0.00160543 -0.00054033
0.01218804 0.01363327 0.00784464
24.19144920 15.75115426 -2.69835396
-0.00056505 -0.00016388 -0.00008061
-0.01160095 0.02323527 0.01441756
24.60155217 18.64948281 -2.34563985
0.00117767 -0.00151968 -0.00048768
-0.00078801 0.00216659 0.00178637
1.69255026 17.22508988 -21.12829469
-0.00095182 -0.00113968 -0.00031698
0.01367131 -0.01344212 0.03862378
2.87065724 15.17222653 -19.12528902
-0.00088696 -0.00078530 0.00012679
0.01182854 -0.00409679 -0.00396882
12.91929538 -1.39739306 -6.80883181
-0.00045380 0.00202084 -0.00023892
0.01372121 -0.00208541 0.00045461
12.91802935 -1.12861897 -3.96873894
0.00078478 -0.00075015 0.00035927
0.00863996 0.00109949 0.00608177
-17.49310571 -2.95006637 3.49645733
0.00084544 0.00069572 -0.00054660
0.00076422 -0.02059407 -0.00203176
-14.43355004 -2.50126174 3.24861379
0.00018741 0.00016380 0.00104107
-0.00132061 -0.02001550 -0.00071860
-16.26481317 -0.10672374 19.81796958
0.00074670 -0.00078155 -0.00020750
0.00135354 -0.00091154 0.00937876
-15.62864474 -3.00442410 19.45394287
-0.00045285 0.00036592 -0.00049382
-0.00202225 0.00902447 0.00634971
-0.74258618 0.56139593 -5.13795436
0.00008608 0.00036706 -0.00052931
-0.00947891 0.01058314 0.00492446
-0.77477733 3.58564158 -4.81397468
-0.00001203 0.00035980 -0.00022172
-0.01107674 -0.00490159 -0.00246940
23.31833245 -8.65810195 -9.25874776
-0.00011180 -0.00075237 -0.00042034
0.01073634 -0.03331235 -0.00404812
23.63976193 -5.98013952 -8.41606270
0.00006720 0.00117959 -0.00027318
0.00075899 0.00859628 0.00128999
0.54542750 -5.94945919 5.77444699
-0.00006828 0.00040020 -0.00003521
-0.00249162 0.00428757 0.01074239
-0.38723699 -5.17112718 8.54436731
0.00061737 0.00030523 -0.00034238
0.00829997 0.00213631 0.00096585
-1.03286719 -3.01708920 -18.68753713
0.00013429 -0.00086992 -0.00003424
-0.00575121 0.01427326 -0.00815677
-3.19553440 -2.06158690 -20.35585205
0.00074961 -0.00045915 -0.00041453
-0.01843807 -0.00571674 -0.01136530
2.84948951 2.45873144 -11.09183461
-0.00041404 -0.00090825 0.00058485
0.00716402 0.00260543 0.02575289
1.80769578 2.51068192 -8.21014642
-0.00013671 0.00083431 -0.00008809
0.02128039 -0.00257920 -0.00484104
-2.41128975 16.90646175 12.70874025
-0.00024592 -0.00002058 -0.00011717
0.02175127 -0.02970439 -0.00151985
-3.51462410 19.25887335 13.41716857
0.00047184 0.00068524 -0.00006529
-0.00560920 0.02479716 0.02157383
-4.40092338 6.42500561 -12.43747050
-0.00065902 0.00018712 0.00052441
0.02283967 -0.04665409 0.02379264
-2.90015981 3.46980085 -12.11908057
0.00008312 0.00011168 -0.00033335
-0.03087794 0.04076138 0.00472943
-7.70519239 2.28872168 -7.47985517
-0.00039261 -0.00002255 -0.00016908
-0.00338128 -0.00733672 0.00596975
-6.44800652 3.79051900 -9.52181105
0.00145381 -0.00023664 0.00021658
-0.02451720 -0.00266632 -0.00235765
1.99078363 28.22258028 6.90894556
0.00031647 0.00004567 0.00062113
0.00315696 0.01387857 -0.02074947
0.29246945 27.56853696 9.09168475
-0.00008091 0.00057380 0.00017491
-0.00163714 0.00528602 0.00069878
10.89353060 -6.89029099 -0.45679582
-0.00024616 -0.00098761 -0.00023277
-0.01361153 0.00381616 -0.02267549
8.77350099 -7.44534883 -2.53355583
-0.00025918 0.00027852 -0.00079964
0.00888517 0.00489255 0.00749854
-6.99159134 0.21745277 6.31067530
0.00028642 0.00003235 0.00000461
-0.01410389 0.00031428 0.00121242
-9.71083736 -0.68539014 6.90774897
0.00152618 -0.00021341 -0.00047686
0.01186646 0.02603847 -0.01502329
21.62466163 10.33328613 10.15799491
0.00020478 -0.00067281 -0.00097353
0.00097960 -0.00566243 0.00580855
20.80817068 12.55573370 8.51697234
0.00046148 -0.00031890 -0.00068115
-0.00903446 -0.03103690 0.00026137
-1.62988377 -3.18769363 -26.18626600
0.00012135 -0.00074922 -0.00096390
0.01850812 -0.02334208 0.01955166
-4.30902316 -2.26066990 -26.51892693
-0.00012007 0.00022838 -0.00067228
-0.04768956 -0.00118704 0.02079685
-14.36911320 7.13802037 8.95455966
0.00030614 0.00046314 0.00000960
-0.00258426 0.00356789 -0.00015701
-14.76438132 7.17606017 6.12333861
-0.00121414 0.00045080 0.00094139
-0.00200003 0.00590190 -0.00436979
-11.20692893 6.64295828 -3.69493883
0.00016152 0.00037463 0.00067563
-0.00929660 0.00655809 -0.01478629
-8.70395338 8.23938188 -3.60257137
-0.00001226 0.00026669 0.00010656
0.00415740 0.00792733 -0.01805117
-1.06845115 -17.49994075 23.45304709
0.00002167 0.00020664 -0.00008176
-0.01643871 0.01201866 0.00685120
-3.56458047 -15.67143212 24.54112779
-0.00095001 0.00036906 0.00016367
0.04977189 -0.01549987 -0.01997678
-3.08168500 5.58917289 -8.03405460
0.00066919 -0.00009781 -0.00065700
0.00484394 0.01084370 0.00513376
-3.73100225 7.78468648 -6.15742525
-0.00031166 0.00074152 -0.00017875
-0.00846169 -0.00303255 -0.00111746
-21.24334542 30.46252384 3.11911032
0.00110901 0.00100161 -0.00028024
-0.01992523 -0.01181076 -0.00712441
-21.39979783 32.37516128 5.38116335
0.00063747 -0.00061862 0.00002899
0.00943544 -0.02948022 -0.00889454
6.96831764 -0.34223559 6.26493684
0.00022742 0.00061873 -0.00009012
0.00692523 0.01836088 0.02585797
7.29908664 1.73737589 8.62035009
0.00053769 0.00056934 -0.00098199
-0.00593356 0.00711027 -0.01359146
6.64282210 12.72305692 -13.48811351
0.00037893 0.00079209 -0.00080588
0.00561687 -0.00911806 -0.00395152
4.41782174 12.18870032 -15.14110750
0.00057584 -0.00075390 0.00122628
0.01456703 -0.01829628 0.01797019
14.50676783 4.03832588 -2.87148303
-0.00011438 -0.00089452 -0.00078468
-0.00328604 0.00948637 -0.00079404
15.22316790 1.37872968 -2.01953037
-0.00018775 0.00033337 0.00032627
0.00690598 0.00597639 -0.00104905
-2.45245906 13.50768472 -0.52198699
-0.00012980 0.00014186 -0.00024941
0.00273439 -0.00515484 0.00866581
-5.36944820 13.07221274 0.08455902
-0.00032824 -0.00053932 0.00027557
-0.00463931 -0.00592981 0.01885004
3.80360546 11.10569090 3.56162699
0.00024413 -0.00030586 -0.00040217
-0.03012674 -0.06347055 0.00992309
6.38563854 12.34349396 3.63610710
0.00033420 -0.00028614 -0.00005803
-0.02307136 0.00223798 -0.01078943
25.24382113 -13.37062898 -8.74706712
0.00057157 0.00040186 0.00031483
-0.00630814 -0.00237800 0.00748267
25.97651457 -11.62504788 -10.89328742
0.00045020 0.00001934 0.00106345
0.01585046 0.00320578 -0.02874388
14.66344702 -4.02506923 -0.94672803
0.00023760 -0.00047751 -0.00016498
0.01952562 0.00343344 0.00748132
17.17897965 -5.46402043 -0.80683369
-0.00027785 0.00033954 -0.00014631
0.01432401 -0.03755127 -0.00961652
11.83740158 8.09023346 11.44650026
0.00084335 -0.00011675 0.00026985
0.02267677 -0.01375647 -0.02199470
12.84521690 9.57480774 9.19961403
0.00048542 -0.00022322 0.00017772
0.01118915 0.00562083 -0.00680360
0.04708046 -14.41642837 17.03293377
-0.00065812 -0.00047771 0.00006077
0.00218302 0.01113624 0.00251150
1.75116962 -12.02646033 18.24304139
0.00019756 -0.00052264 0.00020147
-0.01211734 -0.02623937 -0.01168403
-4.14119381 -2.09998930 -13.55815744
0.00050700 -0.00005695 -0.00041336
0.00674811 -0.03260630 0.02207943
-3.05607902 -0.58091365 -15.92973432
-0.00051437 0.00056578 0.00047572
-0.03089181 -0.01014208 0.02535153
14.47158151 -8.10417854 -10.89076003
-0.00119226 0.00051311 0.00116917
0.00586165 -0.01678647 0.02524071
15.90327096 -6.56470265 -9.12002609
0.00080932 0.00118473 -0.00069723
0.02492142 0.02456546 0.00974862
7.31530903 -5.83875040 9.27175105
-0.00067935 0.00011577 0.00083364
-0.01035670 0.01579567 -0.00452710
9.34690342 -5.60183640 7.18738158
0.00004761 -0.00082206 0.00039587
0.00513238 0.01696271 -0.02069215
-20.90438965 2.29269821 20.82514034
-0.00042300 -0.00078111 -0.00082119
-0.00706459 -0.00946558 0.00336007
-21.79125558 0.56242988 23.19476176
0.00040250 0.00024997 0.00005792
-0.00288470 0.00944509 -0.00744878
26.37310854 -2.88215027 -6.06992716
0.00014872 -0.00019465 -0.00040888
0.00694314 -0.00033257 0.00463055
25.20469722 -1.43331131 -8.18280707
-0.00041936 0.00003480 0.00006720
0.00743987 -0.01224874 -0.00341200
9.05329034 -15.76595574 -7.59709000
-0.00059287 -0.00013287 0.00009702
-0.00428416 -0.02290740 -0.00032035
8.59912332 -12.89757347 -7.13621182
-0.00005036 0.00017060 -0.00007871
0.01060934 -0.00503788 0.00157984
-5.54590495 -11.01257392 17.87085919
-0.00045030 -0.00057880 0.00027087
0.01536722 0.02417482 0.02184720
-7.14351998 -11.12157582 15.49362706
-0.00113184 -0.00049224 0.00008389
0.00417154 0.00385565 -0.00735305
9.44446938 2.13934655 -29.51532975
-0.00153867 -0.00114260 0.00061198
0.01269367 -0.02188499 -0.01113718
6.81912203 3.16733526 -30.70024986
-0.00026431 0.00059002 0.00003660
0.01781567 -0.00998938 0.02131282
12.55762464 14.78699646 14.71475948
0.00034459 0.00054184 -0.00010440
-0.00032306 0.00154557 -0.02054131
11.31044339 16.09093036 16.86680489
-0.00032453 -0.00080977 -0.00067741
-0.00556824 0.00995756 0.02249887
28.95792030 5.05908633 -4.51334801
0.00069805 -0.00029419 -0.00023611
0.00798681 -0.00560135 0.00164495
26.77280682 6.61060925 -3.53887526
0.00021837 -0.00052602 -0.00087645
0.01916832 0.00017812 0.01384034
-9.96739662 4.91352052 6.92708917
0.00003569 -0.00007747 -0.00017615
0.00098286 -0.00768347 -0.00775056
-8.66799674 13.24608190 2.58459681
-0.00004160 0.00007907 0.00003835
0.00072364 -0.00132409 -0.00455164
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09618164
0.31763994
423.23928867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4133696466 (a.u.)
total exchange computation time: 2.7044520378 s
-154.2787687042
-931.41329657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4126496658 (a.u.)
total exchange computation time: 2.7059478760 s
-154.2857499333
Anderson extrapolation: theta=1.3722798128 (1.3722798128)
-931.41353479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4115924330 (a.u.)
total exchange computation time: 2.6421680450 s
-154.2957698789
Anderson extrapolation: theta=0.0613904246 (0.0613904246)
-931.41368136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4114763121 (a.u.)
total exchange computation time: 2.7078020573 s
-154.2967581000
Anderson extrapolation: theta=2.1229028300 (2.0000000000)
-931.41368839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4112384807 (a.u.)
total exchange computation time: 2.7052741051 s
-154.2987236609
Anderson extrapolation: theta=0.3005106418 (0.3005106418)
-931.41369682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4111782461 (a.u.)
total exchange computation time: 2.7100350857 s
-154.2991755326
Anderson extrapolation: theta=1.4087184110 (1.4087184110)
-931.41369880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4111225008 (a.u.)
total exchange computation time: 2.7072079182 s
-154.2995421291
Anderson extrapolation: theta=0.3787539363 (0.3787539363)
-931.41370072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4111297389 (a.u.)
total exchange computation time: 2.7084121704 s
-154.2994296544
Anderson extrapolation: theta=1.0501929390 (1.0501929390)
-931.41370132
-71.721893 23.464520 142.695269
559.297869 1032.219570 -412.703271
487.575977 1055.684090 -270.008002
1193.777011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1337155219
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4111578990 (a.u.)
total exchange computation time: 2.7064750195 s
679.59641974
-1084.90601715
89.65550805
-388.39294670
-174.95550776
78.88211380
551.60419304
0.00000000
-931.41370172
3.90881246 -30.75255258 -2.27588089
0.00004233 0.00012996 0.00004050
0.00778451 -0.02519573 -0.00028360
-11.77345561 -2.12253286 -9.16084881
0.00033979 0.00034163 -0.00013028
0.00639958 0.03042136 0.01031341
-37.44643033 2.45861497 -0.05931413
-0.00001505 0.00007761 0.00016519
0.01179816 -0.02649093 0.00877212
-11.54610348 -3.98832051 3.84060780
-0.00022012 -0.00005933 -0.00007172
-0.01630481 0.02138714 0.01027114
4.58217387 -3.86706570 9.45954871
-0.00035156 0.00003677 -0.00028247
-0.00847916 -0.01497702 -0.00029020
-31.88697366 -0.91938735 -0.63347751
0.00003670 0.00060692 0.00019323
-0.02344109 0.03368205 0.01536109
14.94009238 12.58453545 -14.01423941
-0.00035133 0.00004151 0.00014221
-0.05351358 0.02594834 -0.05576203
-7.70934261 5.88573717 2.46990413
0.00005153 0.00032481 0.00030291
-0.00330889 0.01154871 0.01883680
7.48172218 12.57006731 -5.59988679
0.00022312 0.00013479 -0.00030684
0.00073677 0.00351763 -0.02024596
8.90815481 9.82711074 -19.04793306
-0.00013075 0.00004878 0.00007079
-0.00304338 -0.00400994 0.00452018
23.29690136 17.36109591 -2.11778398
0.00022962 -0.00018494 -0.00001963
0.00063262 -0.00834674 -0.00655088
2.26643177 16.90258993 -19.24868807
0.00012792 0.00005213 -0.00048855
-0.02932992 0.02061977 -0.03599636
14.08452239 -1.40950079 -5.35598957
-0.00011860 0.00026926 -0.00019273
-0.02005990 0.00226363 -0.02041616
-16.11255576 -1.79408365 3.24790139
-0.00005139 0.00042407 -0.00021870
0.00835214 0.04405990 0.00865270
-16.97392351 -1.76345146 19.37252552
0.00023997 -0.00021587 -0.00034517
-0.00041182 -0.00827344 -0.01265703
0.27995647 2.11330166 -5.10530788
0.00021218 -0.00028026 0.00023831
0.01339418 0.00335513 -0.00438909
22.38524436 -7.18561593 -8.96586898
0.00037212 -0.00004807 0.00010096
-0.00653409 0.02758874 0.00936327
-0.48718152 -6.42988605 7.24680337
-0.00024966 -0.00002245 0.00004090
-0.00601903 -0.01020515 -0.01081846
-1.86537817 -1.45680217 -19.29424495
0.00014736 0.00034177 -0.00006834
0.02507806 -0.01824205 0.02199146
3.34869729 2.21829514 -9.28590121
-0.00015382 -0.00022157 -0.00008072
-0.02394835 0.00078332 -0.01359552
-3.71548528 18.00637262 12.16680666
-0.00021394 -0.00028705 0.00018275
-0.02211395 0.00956161 -0.01914493
-3.75153404 4.98803394 -11.27545957
-0.00027760 0.00001748 0.00038906
0.00856751 0.00086465 -0.03477304
-8.14933708 3.20809763 -8.97695472
0.00014731 -0.00033527 -0.00001066
0.02884531 0.01040472 -0.00745018
1.98397026 27.32963206 8.46353242
0.00052696 0.00014005 0.00013077
-0.00810222 -0.01866534 0.02752031
10.01258050 -6.18898018 -1.99012806
-0.00028406 -0.00000347 0.00014338
0.00721566 -0.00861613 0.01949111
-8.79641676 0.62880786 5.89912791
-0.00002073 0.00027193 0.00016954
-0.00364809 -0.02239763 0.01410239
20.42361714 10.68162754 8.83059023
-0.00013522 0.00017324 0.00018652
0.00701631 0.04080667 -0.01308716
-2.68811564 -2.15892735 -27.16549431
0.00055823 0.00002682 -0.00001153
0.02889153 0.02537805 -0.04221112
-14.29817229 6.07404475 7.49073200
-0.00000701 0.00003532 0.00026630
0.00395410 -0.00911756 0.00328744
-9.85025838 7.21024685 -2.66530052
0.00039243 0.00015307 0.00011204
0.00521471 -0.01170186 0.03506604
-1.70775854 -15.78584670 23.96635049
-0.00004018 0.00018223 -0.00054384
-0.03672553 0.00960574 0.01428405
-2.59819856 6.35563316 -6.41432063
-0.00000483 -0.00017468 0.00022182
-0.00251583 0.00044931 -0.00325102
-20.28297810 31.09218181 4.53017683
0.00039684 -0.00000973 -0.00033672
-0.00314180 0.02463700 0.02528442
7.57446949 0.03115740 8.07326437
0.00004118 -0.00002322 -0.00021896
-0.00224615 -0.01845889 -0.02262133
5.52797707 11.29671367 -13.90005063
0.00006124 0.00026796 0.00005970
-0.00550750 0.02535230 0.00184074
15.78596631 3.11679448 -1.96835975
-0.00039270 -0.00047388 -0.00000666
0.00250297 -0.00715016 0.00686761
-4.14730419 13.61139161 -1.12843616
-0.00023969 -0.00007596 0.00041432
0.00188438 0.00016842 -0.03068527
4.54325413 12.64777871 3.29068579
-0.00000809 -0.00041283 -0.00012835
0.06171346 0.05776235 -0.01184854
24.82838765 -11.78198680 -9.52983201
0.00014225 0.00021792 -0.00032031
-0.01123040 -0.00228946 0.01923899
16.41726177 -3.92506578 -0.38546931
0.00002662 0.00020445 -0.00011747
-0.02185838 0.04180020 0.00535576
12.94814355 7.88128065 9.88045082
0.00000225 0.00012891 0.00029952
-0.02537342 0.01019168 0.03474136
1.67789063 -13.81587668 17.68359381
-0.00026755 -0.00010638 -0.00002178
0.01623555 0.00951650 0.00772136
-4.40934435 -0.66811420 -14.54288468
0.00023351 -0.00019338 0.00029473
0.03061426 0.04599733 -0.04647200
15.02771410 -8.12424656 -9.04164755
0.00017380 0.00029572 0.00012829
-0.02142949 -0.00389958 -0.03399790
8.79803772 -6.60938581 8.55124786
-0.00033630 -0.00042800 0.00016427
-0.00105861 -0.03200698 0.02993782
-21.34802743 2.26523209 22.61551538
0.00001315 0.00008231 0.00036861
0.01133424 0.00311408 -0.00527979
25.84015288 -3.15576264 -7.80498795
-0.00011187 -0.00023852 -0.00034621
-0.01447261 0.02022196 0.00112613
9.83352464 -14.14775003 -7.71047749
0.00003611 -0.00000038 -0.00032891
0.00140238 0.03550577 -0.00720442
-6.32562480 -12.15342407 16.75495707
-0.00043218 -0.00040333 0.00023280
-0.01333782 -0.02353139 -0.01341185
8.24071870 3.44708356 -29.47255112
-0.00004667 0.00006149 0.00021181
-0.04417054 0.01979162 -0.01231779
10.91416271 15.60265338 15.17659054
-0.00027169 -0.00030007 0.00036821
0.00506328 -0.01662095 -0.01047154
28.52701011 6.04437639 -3.03012331
0.00017570 -0.00007082 -0.00011162
-0.03291027 0.01914519 -0.02680134
5.33290794 -31.29554638 -3.37661782
0.00015626 0.00050634 0.00014505
-0.00527074 0.00117425 0.00874915
3.96889559 -31.66065489 -0.66204079
-0.00054740 -0.00021995 -0.00039803
0.00604272 0.00889449 -0.00695807
-11.66601759 -3.80463377 -8.52702995
0.00009356 0.00023316 -0.00042822
-0.00360558 -0.02286080 0.00065285
-12.62597696 -2.13584857 -10.73741533
-0.00006525 0.00017982 0.00061429
-0.00553741 -0.00012229 -0.01369387
-38.89203313 2.15401198 0.99054008
-0.00094193 -0.00015705 0.00016422
-0.00303731 -0.00426151 0.00610857
-37.74831767 4.03547350 -0.91535847
-0.00000650 0.00075353 -0.00026928
-0.00477857 0.01453218 -0.00932695
-10.85255933 -5.59527273 3.50918615
0.00022807 -0.00091049 0.00040175
0.01332099 -0.03164752 -0.00623267
-10.15858698 -2.85570900 3.61874766
-0.00097408 0.00044686 0.00005018
0.01016573 0.01103751 -0.00037473
5.39929392 -2.39358024 8.79766253
-0.00073657 -0.00113990 -0.00080839
0.00793705 0.01397414 -0.00573519
4.53952858 -3.50831255 11.24482372
0.00090111 -0.00020399 -0.00036189
-0.00271657 -0.00331242 0.00985781
-33.32177604 -2.02614801 -0.80079013
-0.00000795 0.00081426 -0.00008772
-0.00735995 -0.00188247 0.00468264
-32.58426365 0.66064093 0.15779851
-0.00016870 -0.00072786 0.00094555
0.00807964 -0.02829227 -0.01241330
14.79880538 12.92578244 -15.98068787
-0.00065785 -0.00032915 0.00010782
0.00315443 -0.00847876 0.05204233
16.54732182 11.99849159 -13.67551549
-0.00124474 -0.00009734 0.00094543
0.04841596 -0.01782374 0.00572004
-8.48661468 7.03211505 1.30299738
-0.00069077 0.00003173 -0.00031091
-0.00496470 0.01022616 -0.00206154
-7.27148148 4.59318042 1.29938063
-0.00056985 -0.00076789 -0.00074130
0.01058831 -0.02176395 -0.01350679
6.05983749 12.42169756 -6.78478599
0.00041728 -0.00043138 0.00043928
0.01464606 0.00484737 0.00425563
8.93821248 13.67175276 -6.42390577
0.00026358 -0.00010446 -0.00071309
-0.02346830 -0.00955657 0.00756258
8.82652184 9.00748400 -20.64816247
-0.00085030 -0.00031434 0.00058644
-0.00853384 -0.00917033 -0.01348607
10.63276035 10.41896897 -19.09941286
-0.00023417 0.00165814 -0.00050955
0.00931537 0.01216564 0.00722168
24.18261803 15.74940805 -2.69912134
-0.00061147 -0.00007290 -0.00002280
-0.01112167 0.02130157 0.01388105
24.61919303 18.62675401 -2.35290029
0.00117490 -0.00150709 -0.00047948
-0.00056527 0.00399435 0.00222596
1.67869182 17.20758273 -21.13186581
-0.00089469 -0.00119217 -0.00016005
0.01429868 -0.01225184 0.03819489
2.85771529 15.16032142 -19.12350881
-0.00084022 -0.00079532 0.00011048
0.01105152 -0.00080617 -0.00401564
12.91290889 -1.36714435 -6.81240163
-0.00039602 0.00201114 -0.00023353
0.01455879 -0.00266335 0.00218131
12.93006580 -1.13983750 -3.96316355
0.00081662 -0.00074459 0.00038671
0.00694670 0.00162285 0.00735356
-17.48040067 -2.94026170 3.48819601
0.00083738 0.00060325 -0.00055283
-0.00470915 -0.02466938 -0.00101666
-14.43077939 -2.49941813 3.26420788
0.00017762 0.00008440 0.00103757
-0.00347157 -0.01885129 -0.00099741
-16.25357117 -0.11847489 19.81514440
0.00075201 -0.00078088 -0.00016819
0.00124558 0.00123970 0.00986479
-15.63549952 -2.99865877 19.44673008
-0.00045088 0.00039207 -0.00046735
0.00299079 0.00377754 0.00661015
-0.74158548 0.56722609 -5.14574318
0.00004422 0.00040442 -0.00050877
-0.01101064 0.00770533 0.00513101
-0.77529725 3.59088840 -4.81737615
-0.00005241 0.00033310 -0.00023293
-0.00868985 -0.00817131 -0.00301979
23.31698445 -8.67040833 -9.26517697
-0.00007028 -0.00087843 -0.00043423
0.00958745 -0.02839219 -0.00274785
23.64079315 -5.96218232 -8.42012080
0.00006558 0.00120518 -0.00027098
-0.00155205 0.00393134 -0.00021498
0.54432691 -5.94332481 5.77424800
-0.00008030 0.00041542 0.00001026
-0.00339225 0.00316508 0.01151570
-0.37772218 -5.16648324 8.53926126
0.00065048 0.00031318 -0.00033734
0.00791090 0.00175695 0.00149843
-1.03102914 -3.02970057 -18.68830066
0.00010661 -0.00079999 -0.00007067
-0.00779615 0.01995388 -0.00967444
-3.18485527 -2.06864931 -20.36241833
0.00067445 -0.00048064 -0.00046080
-0.01835422 -0.00480139 -0.01128054
2.84349849 2.44518746 -11.08227265
-0.00038591 -0.00089640 0.00068133
0.00660179 0.00319721 0.02147094
1.80629716 2.52311758 -8.21161612
-0.00004819 0.00082236 -0.00010799
0.02205330 -0.00326990 -0.00489783
-2.41431202 16.90524281 12.70693607
-0.00015386 -0.00014434 -0.00012181
0.02331225 -0.03087598 -0.00074972
-3.50771834 19.26991176 13.41685037
0.00044810 0.00077767 0.00001490
-0.00601384 0.02045225 0.01767902
-4.41010885 6.42638277 -12.42887527
-0.00056561 -0.00000341 0.00062185
0.02288585 -0.04661376 0.02390308
-2.89985923 3.47272514 -12.12393585
-0.00004453 0.00028021 -0.00031172
-0.03160703 0.04173596 0.00585510
-7.71118516 2.28815867 -7.48220847
-0.00040478 -0.00005564 -0.00013905
-0.00257462 -0.00886449 0.00873136
-6.42695062 3.78688766 -9.51863467
0.00134102 -0.00025172 0.00021056
-0.03069373 -0.00471421 -0.00058599
1.99562747 28.22369058 6.91762665
0.00032992 0.00010582 0.00052916
0.00342407 0.01556594 -0.02426731
0.29120571 27.57730588 9.09432975
-0.00007781 0.00059361 0.00017461
0.00315381 0.00441309 -0.00084248
10.88942115 -6.90498816 -0.46098221
-0.00030230 -0.00097093 -0.00032565
-0.01387336 0.00434916 -0.02278841
8.76988552 -7.44102117 -2.54532060
-0.00022245 0.00029870 -0.00076842
0.00909784 0.00498975 0.00777976
-6.98772726 0.21794770 6.31078165
0.00022634 0.00003580 0.00000796
-0.01530208 0.00137534 0.00042552
-9.68758101 -0.68779337 6.90013569
0.00156720 -0.00011344 -0.00053261
0.00821076 0.02289586 -0.01226548
21.62776342 10.32302039 10.14357002
0.00021325 -0.00069619 -0.00094494
0.00316541 -0.00577914 0.00818488
20.81481603 12.54999914 8.50676317
0.00042462 -0.00044304 -0.00067885
-0.00900896 -0.02973182 0.00086441
-1.62749640 -3.19964725 -26.20012545
0.00019888 -0.00084737 -0.00088089
0.01944500 -0.02470379 0.02108326
-4.31228560 -2.25728056 -26.52837391
-0.00030529 0.00022349 -0.00059089
-0.04297510 -0.00120526 0.01904521
-14.36460031 7.14507673 8.95469883
0.00029623 0.00047638 0.00001007
-0.00226443 0.00291591 0.00038790
-14.78265470 7.18300298 6.13732562
-0.00122176 0.00047296 0.00092304
-0.00173004 0.00494471 -0.00461310
-11.20479093 6.64877864 -3.68525741
0.00012081 0.00040034 0.00061335
-0.01063536 0.00603018 -0.01570399
-8.70400994 8.24362521 -3.60152611
0.00000637 0.00030035 0.00003149
0.00496380 0.00854594 -0.01869661
-1.06862976 -17.49647292 23.45203062
-0.00004538 0.00025384 -0.00005419
-0.01638291 0.01108621 0.00664603
-3.57730540 -15.66637120 24.54297071
-0.00073780 0.00030463 0.00007876
0.05410554 -0.01604007 -0.02158585
-3.07149876 5.58803803 -8.04375230
0.00069018 -0.00005014 -0.00062966
0.00543198 0.01249173 0.00825172
-3.73593639 7.79571638 -6.16014082
-0.00033944 0.00071975 -0.00018512
-0.00513754 -0.00762736 -0.00199637
-21.22732080 30.47718607 3.11468845
0.00102198 0.00094917 -0.00031797
-0.02268008 -0.01386095 -0.01134441
-21.38994663 32.36497856 5.38132569
0.00067313 -0.00073505 -0.00000567
0.00801960 -0.02751351 -0.00807308
6.97194111 -0.33239203 6.26437744
0.00025505 0.00069189 0.00001331
0.00660107 0.01744989 0.02477295
7.30697021 1.74613389 8.60520374
0.00051457 0.00059438 -0.00103774
-0.00538731 0.00514525 -0.01369762
6.64867817 12.73465886 -13.50032283
0.00039977 0.00075065 -0.00082235
0.00458657 -0.01116647 -0.00411062
4.42690570 12.17683124 -15.12216271
0.00062245 -0.00081978 0.00128567
0.00825110 -0.01395387 0.01110564
14.50495146 4.02519878 -2.88327752
-0.00012726 -0.00085521 -0.00078770
-0.00301886 0.00975565 -0.00068542
15.22056332 1.38391340 -2.01466844
-0.00016324 0.00034479 0.00032199
0.00509122 -0.00038848 -0.00104613
-2.45432223 13.50965469 -0.52546255
-0.00011709 0.00012023 -0.00021268
0.00348749 -0.00543230 0.00931116
-5.37451401 13.06394131 0.08927015
-0.00034487 -0.00056278 0.00035148
-0.00349777 -0.00555398 0.01830886
3.80634421 11.09915813 3.55589848
0.00012087 -0.00056670 -0.00036094
-0.03020691 -0.06421670 0.01026156
6.38994449 12.33927039 3.63490602
0.00023646 -0.00027682 -0.00010279
-0.02477279 0.00232361 -0.01112289
25.25220134 -13.36467390 -8.74211534
0.00054411 0.00039529 0.00034460
-0.00713340 -0.00083810 0.00709105
25.98375326 -11.62465955 -10.87821654
0.00052380 0.00003451 0.00093531
0.02017808 0.00422287 -0.03397725
14.66760936 -4.03212668 -0.94897349
0.00031392 -0.00046259 -0.00013473
0.01783200 0.00387066 0.00732677
17.17525089 -5.46007808 -0.80932295
-0.00021687 0.00018335 -0.00018580
0.01552606 -0.03890257 -0.00971710
11.85074676 8.08806060 11.44987409
0.00093246 -0.00017173 0.00018342
0.02094168 -0.01315289 -0.02031644
12.85284105 9.57163164 9.20207127
0.00053023 -0.00019596 0.00014878
0.01074843 0.00772629 -0.00735950
0.03727562 -14.42325275 17.03392232
-0.00064492 -0.00042999 0.00007280
0.00427677 0.01222276 0.00337616
1.75376167 -12.03510403 18.24570543
0.00014735 -0.00062511 0.00015494
-0.01245835 -0.02392047 -0.01109332
-4.13338204 -2.10184267 -13.56368124
0.00053581 -0.00019666 -0.00031926
0.00735293 -0.03578467 0.02398165
-3.06474120 -0.57273766 -15.92182174
-0.00063511 0.00052385 0.00057443
-0.02820992 -0.01038282 0.02297036
14.45387721 -8.09699631 -10.87244906
-0.00116899 0.00044461 0.00126618
0.00552958 -0.01674452 0.02224828
15.91617444 -6.54617894 -9.13018577
0.00090244 0.00126884 -0.00065716
0.02066341 0.01660640 0.00986442
7.30480142 -5.83652986 9.28411693
-0.00071115 0.00017523 0.00080874
-0.00520717 0.01331233 -0.00766350
9.34777487 -5.61364754 7.19268549
0.00006940 -0.00074966 0.00030806
0.00553076 0.01847795 -0.02229125
-20.91095111 2.28069148 20.81292548
-0.00045504 -0.00081842 -0.00079333
-0.00861968 -0.00879694 0.01027555
-21.78530655 0.56646884 23.19540235
0.00038911 0.00028385 0.00003025
-0.00366832 0.00713806 -0.00609819
26.37555215 -2.88508015 -6.07591846
0.00017696 -0.00019628 -0.00039045
0.00687802 -0.00046977 0.00438969
25.19863483 -1.43316458 -8.18190366
-0.00038770 -0.00001808 0.00005339
0.00805745 -0.01364075 -0.00334560
9.04426600 -15.76865072 -7.59564457
-0.00060594 -0.00021979 0.00009511
-0.00211291 -0.01964154 -0.00061382
8.59869303 -12.89516889 -7.13734407
-0.00000440 0.00014831 -0.00007339
0.01188617 -0.00587234 0.00102527
-5.55218862 -11.02051513 17.87559168
-0.00038759 -0.00047895 0.00036000
0.01533025 0.02469982 0.02178166
-7.16036976 -11.12884126 15.49466004
-0.00111145 -0.00047933 0.00005872
0.00581129 0.00246517 -0.00496858
9.42177830 2.12153687 -29.50649131
-0.00148576 -0.00123324 0.00056715
0.01320507 -0.02248412 -0.01080766
6.81570331 3.17587941 -30.69904772
-0.00019065 0.00054946 0.00012484
0.01824269 -0.00986275 0.02188014
12.56278363 14.79517144 14.71256408
0.00034110 0.00054875 -0.00018777
-0.00138874 0.00183706 -0.02026978
11.30540476 16.07908895 16.85733319
-0.00034377 -0.00076364 -0.00056802
-0.00384851 0.01262470 0.03104539
28.96863578 5.05450190 -4.51683925
0.00072979 -0.00031472 -0.00022507
0.00754941 -0.00445166 0.00375938
26.77666969 6.60272447 -3.55159786
0.00029618 -0.00052477 -0.00081879
0.01892297 0.00042944 0.01438190
-9.96685869 4.91233777 6.92442616
0.00003602 -0.00008016 -0.00017890
0.00088246 -0.00730593 -0.00762736
-8.66861943 13.24726564 2.58516416
-0.00004144 0.00007876 0.00003731
0.00061669 -0.00134243 -0.00444493
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09523008
0.31847164
424.34749313
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4142477217 (a.u.)
total exchange computation time: 2.8132541180 s
-154.2765556550
-931.41539333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4134113057 (a.u.)
total exchange computation time: 2.8155610561 s
-154.2839761630
Anderson extrapolation: theta=1.4081850097 (1.4081850097)
-931.41564047
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4120996958 (a.u.)
total exchange computation time: 2.8174710274 s
-154.2950756558
Anderson extrapolation: theta=0.0742559775 (0.0742559775)
-931.41579976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4119007283 (a.u.)
total exchange computation time: 2.8134360313 s
-154.2964196124
Anderson extrapolation: theta=2.3479149356 (2.0000000000)
-931.41580936
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4114738304 (a.u.)
total exchange computation time: 2.8449921608 s
-154.2991339808
Anderson extrapolation: theta=0.4197485086 (0.4197485086)
-931.41582141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4112989829 (a.u.)
total exchange computation time: 2.8458590508 s
-154.3000941440
Anderson extrapolation: theta=0.9337001587 (0.9337001587)
-931.41582434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4111646960 (a.u.)
total exchange computation time: 2.8437299728 s
-154.3006779596
Anderson extrapolation: theta=0.5399288133 (0.5399288133)
-931.41582594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4111247558 (a.u.)
total exchange computation time: 2.8443078995 s
-154.3006927530
Anderson extrapolation: theta=0.7296318378 (0.7296318378)
-931.41582638
-71.687356 23.483285 142.668580
559.294837 1032.198258 -412.713889
487.607482 1055.681543 -270.045309
1193.796065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4111219212 (a.u.)
total exchange computation time: 2.8443269730 s
679.58758557
-1084.89673850
89.66051584
-388.40043032
-174.95563713
78.87859698
551.60419304
0.00000000
-931.41582647
3.90947749 -30.75070039 -2.27527451
0.00004626 0.00011722 0.00003998
0.00749222 -0.02434230 -0.00172026
-11.76833406 -2.11729108 -9.16276328
0.00034348 0.00035699 -0.00012418
0.00794148 0.02932679 0.01344046
-37.44661055 2.45967699 -0.05680240
-0.00001039 0.00006498 0.00016993
0.00631697 -0.02262010 0.00962999
-11.54946817 -3.98912797 3.83957155
-0.00022833 -0.00005044 -0.00006664
-0.01562229 0.01318363 0.00949852
4.57686768 -3.86657188 9.45531061
-0.00035672 0.00002747 -0.00028216
-0.01158349 -0.02118785 0.00148263
-31.88651365 -0.91015365 -0.63051985
0.00002495 0.00062319 0.00020077
-0.02224056 0.02958760 0.01398342
14.93461598 12.58525812 -14.01232137
-0.00038024 0.00005526 0.00011336
-0.05891393 0.02754975 -0.05644007
-7.70858245 5.89065386 2.47452039
0.00005004 0.00032936 0.00031005
-0.00248742 0.00616171 0.00894451
7.48507185 12.57210280 -5.60456752
0.00022420 0.00013657 -0.00031650
0.00346891 0.00338238 -0.01731964
8.90618175 9.82782704 -19.04685380
-0.00013160 0.00004733 0.00007375
-0.00025313 -0.00164554 0.00700573
23.30034817 17.35828962 -2.11810366
0.00022955 -0.00018902 -0.00002300
-0.00090987 -0.00752809 -0.00657007
2.26823736 16.90345140 -19.25615513
0.00011300 0.00006148 -0.00050670
-0.02868566 0.01576203 -0.03460881
14.08266595 -1.40545316 -5.35895926
-0.00012866 0.00027043 -0.00020390
-0.01905553 0.00228182 -0.02301725
-16.11329433 -1.78755259 3.24465426
-0.00004519 0.00044730 -0.00021449
0.01574499 0.04626870 0.00772238
-16.97032551 -1.76672148 19.36729915
0.00023848 -0.00021923 -0.00035186
-0.00539356 -0.00476745 -0.01336228
0.28319087 2.10911074 -5.10175019
0.00021886 -0.00027691 0.00023622
0.01256702 0.00965987 -0.00372077
22.39080092 -7.18623049 -8.96431848
0.00036963 -0.00003420 0.00010577
-0.00315757 0.02631872 0.00934161
-0.49094961 -6.43026217 7.24737515
-0.00025240 -0.00002730 0.00003503
-0.00463223 -0.00865967 -0.01202028
-1.86307103 -1.45174606 -19.29518523
0.00016045 0.00033083 -0.00005686
0.02580655 -0.02428995 0.02266431
3.34629766 2.21497466 -9.28716449
-0.00016600 -0.00022124 -0.00008644
-0.02341414 0.00048059 -0.00863575
-3.71877967 18.00210375 12.16947405
-0.00022536 -0.00028085 0.00017394
-0.02227805 0.01453753 -0.01510394
-3.75566505 4.98829948 -11.26975778
-0.00027300 0.00001768 0.00037108
0.00933830 -0.00009964 -0.03515757
-8.14701621 3.20310872 -8.97714338
0.00016327 -0.00032910 -0.00001552
0.03322033 0.01356956 -0.01143381
1.99184347 27.33166074 8.46560006
0.00052155 0.00013037 0.00014590
-0.01295920 -0.01897028 0.03132178
10.00834749 -6.18906543 -1.98790216
-0.00028037 -0.00000796 0.00015326
0.00711146 -0.00885792 0.01893789
-8.79674173 0.63280043 5.90172543
-0.00002128 0.00026110 0.00017618
0.00149658 -0.01970802 0.01170431
20.42161593 10.68438355 8.83333754
-0.00013219 0.00019373 0.00017918
0.00474791 0.03887874 -0.01543622
-2.67963068 -2.15842710 -27.16583009
0.00057134 0.00004005 -0.00003283
0.02208955 0.02605802 -0.04062512
-14.29826224 6.07453940 7.49473916
-0.00000513 0.00003105 0.00026791
0.00337702 -0.00750523 0.00297891
-9.84435182 7.21249770 -2.66348470
0.00039518 0.00014700 0.00013031
0.00547531 -0.01187594 0.03597160
-1.70850286 -15.78307624 23.95824795
-0.00005997 0.00018760 -0.00053611
-0.04025546 0.01130253 0.01579097
-2.59828065 6.35301469 -6.41100587
-0.00000707 -0.00017370 0.00021964
-0.00622861 0.00338108 -0.00521319
-20.27703764 31.09213093 4.52522364
0.00039625 0.00000264 -0.00032306
0.00085313 0.02344349 0.02782434
7.57507857 0.03073787 8.06989268
0.00004001 -0.00003183 -0.00023005
-0.00231036 -0.01503505 -0.02049146
5.52887444 11.30083079 -13.89914797
0.00006056 0.00028013 0.00006260
0.00284164 0.02199090 0.00943831
15.78008549 3.10965864 -1.96843314
-0.00039102 -0.00047581 -0.00000313
0.00404027 -0.00035183 0.00684560
-4.15089227 13.61025280 -1.12233979
-0.00023924 -0.00007596 0.00039863
-0.00014438 -0.00014133 -0.03031115
4.54337085 12.64180904 3.28871477
0.00002354 -0.00038350 -0.00013437
0.06127491 0.05629457 -0.01152612
24.83047803 -11.77872690 -9.53456245
0.00013570 0.00021606 -0.00030918
-0.01421678 -0.00493389 0.02402611
16.41757669 -3.92183779 -0.38721069
0.00001580 0.00022575 -0.00011470
-0.02020169 0.04101805 0.00540009
12.94807939 7.88325367 9.88507767
-0.00001008 0.00013344 0.00031674
-0.02258348 0.00741337 0.03221557
1.67394001 -13.81743568 17.68329695
-0.00025961 -0.00010253 -0.00001828
0.01464896 0.00547180 0.00586406
-4.40572365 -0.67083740 -14.53864298
0.00024840 -0.00016936 0.00027140
0.02731490 0.04739978 -0.04426965
15.03023844 -8.11982575 -9.03985431
0.00016399 0.00029584 0.00011172
-0.01670953 0.00435193 -0.03042852
8.79298915 -6.61592925 8.55382743
-0.00033812 -0.00044406 0.00018057
-0.00602219 -0.03044437 0.03345429
-21.34778647 2.26647879 22.62102419
0.00001959 0.00008437 0.00036385
0.01372743 0.00487565 -0.01322734
25.83841895 -3.15926242 -7.81017679
-0.00011933 -0.00022777 -0.00034556
-0.01451284 0.02158978 0.00140450
9.83407177 -14.14761872 -7.71543887
0.00003603 0.00001707 -0.00033236
-0.00172351 0.03232845 -0.00621158
-6.33215893 -12.15956480 16.75839737
-0.00043921 -0.00041491 0.00022551
-0.01400612 -0.02150542 -0.01496114
8.23984830 3.44808230 -29.46942142
-0.00006931 0.00007150 0.00020533
-0.04387027 0.01914070 -0.01288077
10.91010694 15.59808823 15.18207336
-0.00026903 -0.00030917 0.00036054
0.00525254 -0.01875292 -0.01938621
28.52951864 6.04338800 -3.03190100
0.00015909 -0.00006134 -0.00012599
-0.03168665 0.01770784 -0.02908615
5.33509038 -31.28791527 -3.37417393
0.00013507 0.00051028 0.00018062
-0.00510482 0.00075366 0.00866152
3.96086982 -31.66368156 -0.66822441
-0.00052179 -0.00018530 -0.00042346
0.00649365 0.00806528 -0.00549274
-11.66472467 -3.80183688 -8.53343321
0.00007938 0.00014076 -0.00042428
-0.00333666 -0.02236968 0.00127251
-12.62712542 -2.13315506 -10.72862053
-0.00009166 0.00018041 0.00055114
-0.00738788 0.00041175 -0.01722302
-38.90625516 2.15152559 0.99319061
-0.00094441 -0.00017183 0.00018140
0.00182376 -0.00297038 0.00229939
-37.74856158 4.04722183 -0.91968352
-0.00002474 0.00080208 -0.00030162
-0.00414885 0.00923335 -0.00650105
-10.84873008 -5.60989989 3.51502136
0.00027755 -0.00102407 0.00037881
0.01089766 -0.02394916 -0.00499364
-10.17288667 -2.84866794 3.61948891
-0.00092880 0.00049294 0.00004770
0.01199701 0.01152298 -0.00084220
5.38848863 -2.41025051 8.78536098
-0.00069803 -0.00107099 -0.00083730
0.01092852 0.01975843 -0.00841756
4.55296196 -3.51147391 11.23969748
0.00088944 -0.00021627 -0.00031954
-0.00299704 -0.00269981 0.01087330
-33.32212087 -2.01399181 -0.80196240
-0.00003799 0.00080481 -0.00006903
-0.00734416 -0.00274097 0.00446594
-32.58654649 0.64885602 0.17160133
-0.00013797 -0.00083393 0.00089808
0.00696048 -0.02362997 -0.01082412
14.78903435 12.92058544 -15.97747588
-0.00064326 -0.00036389 0.00032006
0.00398606 -0.00852839 0.05185182
16.53013433 11.99648531 -13.66115875
-0.00103745 -0.00017339 0.00097012
0.05305576 -0.01940439 0.00636571
-8.49712839 7.03290435 1.29827056
-0.00070730 0.00006833 -0.00031370
-0.00312641 0.00769011 0.00069412
-7.27970476 4.58099515 1.28784731
-0.00053154 -0.00084070 -0.00078233
0.00816192 -0.01387833 -0.00657839
6.06654549 12.41537542 -6.77806636
0.00047056 -0.00041185 0.00045106
0.01143478 0.00471161 0.00151055
8.94144701 13.66989305 -6.43437043
0.00016784 -0.00014323 -0.00068180
-0.02339769 -0.00942321 0.00775474
8.81350590 9.00248785 -20.63977910
-0.00088402 -0.00035345 0.00052858
-0.00797333 -0.00997350 -0.01483688
10.62953324 10.44421384 -19.10683481
-0.00020273 0.00170431 -0.00048130
0.00607656 0.01043522 0.00660699
24.17310525 15.74896732 -2.69903801
-0.00065553 0.00000920 0.00003233
-0.01044730 0.01888671 0.01310411
24.63679925 18.60427001 -2.36002431
0.00117278 -0.00148741 -0.00046941
-0.00047519 0.00564182 0.00270497
1.66570970 17.18932470 -21.13309612
-0.00083538 -0.00123947 -0.00000589
0.01473118 -0.01089883 0.03726660
2.84545064 15.14836690 -19.12197469
-0.00079659 -0.00079151 0.00009400
0.01030665 0.00267089 -0.00404868
12.90741464 -1.33705887 -6.81583777
-0.00033525 0.00199895 -0.00022136
0.01519048 -0.00330281 0.00377652
12.94252798 -1.15095658 -3.95713749
0.00084166 -0.00073698 0.00041904
0.00531184 0.00209856 0.00846798
-17.46798423 -2.93196891 3.47987237
0.00080760 0.00049480 -0.00055513
-0.00987048 -0.02841522 -0.00010963
-14.42822151 -2.49872985 3.27974084
0.00015876 0.00001012 0.00103281
-0.00576141 -0.01750972 -0.00133258
-16.24225284 -0.13015007 19.81292381
0.00075677 -0.00077164 -0.00012694
0.00108211 0.00328008 0.01032656
-15.64217100 -2.99266193 19.43992240
-0.00042786 0.00039618 -0.00043979
0.00827480 -0.00176697 0.00687827
-0.74125957 0.57352849 -5.15321754
-0.00000384 0.00042987 -0.00048751
-0.01251661 0.00475142 0.00527879
-0.77634975 3.59563444 -4.82096270
-0.00008309 0.00029337 -0.00024627
-0.00632564 -0.01127405 -0.00350667
23.31622403 -8.68445476 -9.27177459
-0.00003487 -0.00098284 -0.00044252
0.00774807 -0.02271743 -0.00131060
23.64172924 -5.94398418 -8.42419208
0.00005628 0.00121327 -0.00027433
-0.00299720 0.00002978 -0.00142303
0.54301843 -5.93699646 5.77475477
-0.00009575 0.00042612 0.00005843
-0.00416764 0.00207260 0.01206468
-0.36772254 -5.16173163 8.53424704
0.00068194 0.00031925 -0.00033039
0.00748907 0.00121130 0.00190433
-1.02966888 -3.04108903 -18.68965710
0.00007149 -0.00070850 -0.00011258
-0.00939429 0.02483363 -0.01084210
-3.17530100 -2.07600599 -20.36967596
0.00060101 -0.00049779 -0.00050562
-0.01759550 -0.00359686 -0.01065866
2.83791208 2.43183943 -11.07139482
-0.00036063 -0.00088204 0.00075876
0.00577416 0.00383193 0.01643257
1.80625009 2.53535285 -8.21338599
0.00004269 0.00080775 -0.00012768
0.02243276 -0.00388384 -0.00474385
-2.41590558 16.90213159 12.70508594
-0.00005723 -0.00027104 -0.00012391
0.02398948 -0.03114690 -0.00028050
-3.50118114 19.28220360 13.41761565
0.00042259 0.00085089 0.00007826
-0.00647433 0.01538498 0.01333453
-4.41789174 6.42490316 -12.41881512
-0.00047283 -0.00019209 0.00071850
0.02253118 -0.04574415 0.02341056
-2.90149571 3.47820727 -12.12843229
-0.00017413 0.00045095 -0.00028629
-0.03183136 0.04183887 0.00659414
-7.71733572 2.28705239 -7.48402666
-0.00041376 -0.00009456 -0.00009836
-0.00182367 -0.01018431 0.01118512
-6.40777582 3.78296740 -9.51549420
0.00120506 -0.00027448 0.00021118
-0.03586143 -0.00642467 0.00088824
2.00068116 28.22575486 6.92482048
0.00034440 0.00017173 0.00042489
0.00366278 0.01669561 -0.02677749
0.29013524 27.58634526 9.09692312
-0.00005572 0.00060986 0.00016824
0.00765763 0.00354297 -0.00227478
10.88446146 -6.91941879 -0.46656521
-0.00035886 -0.00095245 -0.00041794
-0.01381148 0.00469453 -0.02238993
8.76682763 -7.43638770 -2.55660857
-0.00018525 0.00031896 -0.00073631
0.00910960 0.00492704 0.00793960
-6.98480099 0.21852691 6.31091407
0.00016096 0.00004402 0.00000843
-0.01670267 0.00264397 -0.00019538
-9.66382146 -0.68879339 6.89177071
0.00159245 -0.00002778 -0.00057615
0.00414956 0.01903621 -0.00904703
21.63105921 10.31240047 10.12964675
0.00023020 -0.00071994 -0.00090730
0.00513113 -0.00584830 0.01023871
20.82090925 12.54244243 8.49660697
0.00038825 -0.00056048 -0.00067433
-0.00879430 -0.02775600 0.00134691
-1.62391732 -3.21311487 -26.21269279
0.00027832 -0.00094929 -0.00079343
0.01943827 -0.02518271 0.02173250
-4.31818182 -2.25396509 -26.53665368
-0.00046730 0.00021865 -0.00051799
-0.03633089 -0.00116345 0.01663827
-14.36022621 7.15231180 8.95486178
0.00028770 0.00048687 0.00001270
-0.00191383 0.00221978 0.00089814
-14.80103410 7.19024883 6.15102991
-0.00122788 0.00049136 0.00090370
-0.00126846 0.00406659 -0.00485491
-11.20330473 6.65496857 -3.67653842
0.00007555 0.00042428 0.00054812
-0.01151891 0.00568928 -0.01622447
-8.70376228 8.24839228 -3.60162670
0.00002751 0.00033581 -0.00004546
0.00538651 0.00881405 -0.01896849
-1.06981242 -17.49232566 23.45142145
-0.00011179 0.00029672 -0.00002766
-0.01612723 0.00990349 0.00633701
-3.58671441 -15.66229332 24.54349073
-0.00051067 0.00023835 -0.00001185
0.05707452 -0.01640210 -0.02276857
-3.06097962 5.58766875 -8.05294428
0.00071331 0.00000378 -0.00059025
0.00588989 0.01390218 0.01103980
-3.74118539 7.80627883 -6.16297873
-0.00035407 0.00067975 -0.00019479
-0.00202387 -0.01194890 -0.00274033
-21.21268615 30.49099883 3.10957132
0.00092449 0.00088887 -0.00037184
-0.02504173 -0.01565593 -0.01502770
-21.37960393 32.35310963 5.38099326
0.00070208 -0.00084218 -0.00003610
0.00614982 -0.02492348 -0.00682198
6.97596912 -0.32147903 6.26533628
0.00028101 0.00076096 0.00011115
0.00610717 0.01636488 0.02311984
7.31452361 1.75520722 8.58921791
0.00049366 0.00061094 -0.00109368
-0.00484759 0.00296038 -0.01368580
6.65481533 12.74557644 -13.51278407
0.00041670 0.00070133 -0.00083931
0.00369986 -0.01297696 -0.00419020
4.43649534 12.16410698 -15.10253730
0.00064129 -0.00086652 0.00131500
0.00097160 -0.00892870 0.00324927
14.50295007 4.01266957 -2.89511402
-0.00013865 -0.00081516 -0.00078993
-0.00255933 0.00985139 -0.00040706
15.21827076 1.38907331 -2.00987063
-0.00014642 0.00032954 0.00031776
0.00313898 -0.00707605 -0.00102687
-2.45597167 13.51129173 -0.52836746
-0.00010173 0.00009755 -0.00017361
0.00402822 -0.00567379 0.00981565
-5.37979417 13.05532949 0.09510335
-0.00035605 -0.00058429 0.00042428
-0.00197706 -0.00497702 0.01732707
3.80723170 11.08868977 3.55079886
0.00000001 -0.00082470 -0.00031925
-0.02895720 -0.06207177 0.01014622
6.39273222 12.33518923 3.63302327
0.00013329 -0.00026733 -0.00014853
-0.02572654 0.00232196 -0.01126561
25.26014437 -13.35877017 -8.73672898
0.00051330 0.00039509 0.00037264
-0.00794933 0.00073828 0.00663394
25.99222859 -11.62401243 -10.86522800
0.00061358 0.00005354 0.00078798
0.02376813 0.00508771 -0.03814528
14.67286456 -4.03894692 -0.95076993
0.00038200 -0.00044598 -0.00010551
0.01549435 0.00425830 0.00697887
17.17247368 -5.45851992 -0.81240773
-0.00015256 0.00002488 -0.00022482
0.01595130 -0.03866777 -0.00938153
11.86537537 8.08508165 11.45200280
0.00101303 -0.00022390 0.00010575
0.01849747 -0.01238404 -0.01770272
12.86112393 9.56892904 9.20407748
0.00057317 -0.00016059 0.00011792
0.01027111 0.00958700 -0.00774911
0.02773289 -14.42932804 17.03511778
-0.00062347 -0.00037809 0.00008818
0.00622271 0.01317988 0.00415332
1.75559020 -12.04521373 18.24768960
0.00009599 -0.00071653 0.00011137
-0.01268650 -0.02082696 -0.01023291
-4.12511963 -2.10588914 -13.56773529
0.00056667 -0.00034580 -0.00021954
0.00775551 -0.03722138 0.02483145
-3.07513227 -0.56519800 -15.91250140
-0.00074382 0.00048117 0.00066191
-0.02500361 -0.01051070 0.01984966
14.43651181 -8.09084029 -10.85277458
-0.00114751 0.00037659 0.00134987
0.00498685 -0.01655041 0.01871628
15.93034429 -6.52663748 -9.13974090
0.00097791 0.00132021 -0.00061664
0.01627724 0.00853912 0.00996917
7.29397468 -5.83349346 9.29601315
-0.00072278 0.00022506 0.00077148
-0.00048572 0.01107995 -0.01057541
9.34898528 -5.62432625 7.19662327
0.00009206 -0.00067256 0.00021571
0.00556400 0.01926536 -0.02291065
-20.91804084 2.26814562 20.80134036
-0.00049293 -0.00085272 -0.00073858
-0.00992753 -0.00799130 0.01652482
-21.77958234 0.57094526 23.19566919
0.00037244 0.00030784 0.00000832
-0.00448912 0.00460500 -0.00463800
26.37841730 -2.88803881 -6.08164073
0.00020476 -0.00019861 -0.00037320
0.00673021 -0.00066741 0.00405526
25.19306626 -1.43385385 -8.18120529
-0.00035404 -0.00007576 0.00003964
0.00841877 -0.01459400 -0.00338552
9.03511216 -15.77254946 -7.59423676
-0.00060956 -0.00029214 0.00009188
0.00034044 -0.01577489 -0.00096723
8.59899120 -12.89312420 -7.13841349
0.00004613 0.00012310 -0.00007005
0.01284869 -0.00646703 0.00061012
-5.55753276 -11.02694257 17.88165908
-0.00032639 -0.00037893 0.00044690
0.01462882 0.02426227 0.02075959
-7.17686340 -11.13595561 15.49538851
-0.00108434 -0.00047202 0.00004325
0.00745686 0.00111257 -0.00260097
9.39989651 2.10234922 -29.49831523
-0.00143270 -0.00132407 0.00052379
0.01276993 -0.02197613 -0.01042008
6.81340263 3.18381910 -30.69650463
-0.00011637 0.00050935 0.00021438
0.01811420 -0.00977041 0.02194870
12.56785752 14.80345900 14.70912642
0.00033317 0.00055691 -0.00026968
-0.00249215 0.00215824 -0.01982773
11.30013026 16.06802126 16.84976415
-0.00035608 -0.00070722 -0.00042515
-0.00217820 0.01499362 0.03889157
28.97981393 5.04964465 -4.52010009
0.00075959 -0.00033052 -0.00020547
0.00704063 -0.00328192 0.00583599
26.78169228 6.59486601 -3.56343904
0.00037202 -0.00052228 -0.00075934
0.01819813 0.00079346 0.01472257
-9.96631602 4.91111580 6.92172220
0.00003632 -0.00008270 -0.00018161
0.00077077 -0.00690719 -0.00753542
-8.66923998 13.24844470 2.58571603
-0.00004132 0.00007845 0.00003628
0.00044773 -0.00134706 -0.00437912
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09542307
0.32040340
426.92146210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4126710335 (a.u.)
total exchange computation time: 2.7110810280 s
-154.2761970298
-931.41837153
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4119249508 (a.u.)
total exchange computation time: 2.6309511662 s
-154.2832132715
Anderson extrapolation: theta=1.3791005463 (1.3791005463)
-931.41860714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4108056066 (a.u.)
total exchange computation time: 2.6287009716 s
-154.2934230338
Anderson extrapolation: theta=0.0648636122 (0.0648636122)
-931.41875546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4106663400 (a.u.)
total exchange computation time: 2.6262891293 s
-154.2945166545
Anderson extrapolation: theta=2.2695194127 (2.0000000000)
-931.41876397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4103779520 (a.u.)
total exchange computation time: 2.6296679974 s
-154.2966914303
Anderson extrapolation: theta=0.3807154498 (0.3807154498)
-931.41877563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4102821381 (a.u.)
total exchange computation time: 2.6296589375 s
-154.2973348895
Anderson extrapolation: theta=1.0766435841 (1.0766435841)
-931.41877909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4102118422 (a.u.)
total exchange computation time: 2.6284899712 s
-154.2977166887
Anderson extrapolation: theta=0.4686204516 (0.4686204516)
-931.41878206
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4102114056 (a.u.)
total exchange computation time: 2.6312890053 s
-154.2976066471
Anderson extrapolation: theta=0.7924204931 (0.7924204931)
-931.41878325
-71.649805 23.491659 142.655251
559.294181 1032.172066 -412.721616
487.644375 1055.663725 -270.066365
1193.800142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4102351160 (a.u.)
total exchange computation time: 2.7120790482 s
679.56501117
-1084.85645849
89.66656638
-388.42993071
-174.95373720
78.85703004
551.60419304
0.00000000
-931.41878398
3.91020032 -30.74903600 -2.27468140
0.00005000 0.00010499 0.00003871
0.00702743 -0.02321847 -0.00321382
-11.76315125 -2.11182306 -9.16457406
0.00034789 0.00037161 -0.00011655
0.00919893 0.02751115 0.01619333
-37.44674204 2.46056451 -0.05421638
-0.00000852 0.00005440 0.00017502
0.00095770 -0.01855502 0.01019738
-11.55295338 -3.98983373 3.83860857
-0.00023601 -0.00004581 -0.00006198
-0.01425667 0.00480791 0.00861600
4.57147214 -3.86624151 9.45108395
-0.00036334 0.00001515 -0.00028086
-0.01413995 -0.02674125 0.00357711
-31.88622521 -0.90069170 -0.62745431
0.00001387 0.00063710 0.00020748
-0.02084493 0.02452524 0.01208441
14.92868508 12.58619333 -14.01083875
-0.00041121 0.00006955 0.00008454
-0.06149350 0.02799344 -0.05562960
-7.70784148 5.89561809 2.47920567
0.00004890 0.00033118 0.00031212
-0.00194119 0.00091752 -0.00088337
7.48844827 12.57416438 -5.60938187
0.00022672 0.00013825 -0.00032455
0.00632904 0.00316408 -0.01398612
8.90420674 9.82853064 -19.04572049
-0.00013095 0.00004704 0.00007779
0.00278981 0.00050163 0.00869282
23.30378795 17.35542527 -2.11847402
0.00022867 -0.00019250 -0.00002636
-0.00253092 -0.00600888 -0.00648689
2.26982165 16.90443447 -19.26388918
0.00009847 0.00006829 -0.00052399
-0.02780060 0.01069213 -0.03260524
14.08066249 -1.40138792 -5.36210651
-0.00013817 0.00027163 -0.00021629
-0.01791486 0.00237975 -0.02518206
-16.11391143 -1.78066458 3.24146671
-0.00003535 0.00047148 -0.00021071
0.02251833 0.04774021 0.00697238
-16.96676913 -1.77002828 19.36196969
0.00023443 -0.00022070 -0.00035892
-0.01036058 -0.00095727 -0.01407808
0.28652222 2.10499435 -5.09822120
0.00022511 -0.00027041 0.00023448
0.01174949 0.01563651 -0.00305611
22.39633312 -7.18664201 -8.96269591
0.00036884 -0.00002127 0.00011047
0.00008435 0.02396732 0.00895172
-0.49475342 -6.43070510 7.24785420
-0.00025445 -0.00003132 0.00002863
-0.00334380 -0.00695683 -0.01283913
-1.86056481 -1.44687734 -19.29595066
0.00017364 0.00031694 -0.00004527
0.02550931 -0.02972851 0.02240256
3.34371739 2.21165789 -9.28849439
-0.00017773 -0.00022112 -0.00008948
-0.02220953 0.00000978 -0.00319476
-3.72224593 17.99794705 12.17202492
-0.00023659 -0.00027223 0.00016736
-0.02142126 0.01898977 -0.01049092
-3.75972402 4.98856425 -11.26432723
-0.00026802 0.00001738 0.00035316
0.01002113 -0.00104413 -0.03450258
-8.14443905 3.19822449 -8.97742025
0.00018123 -0.00032147 -0.00002223
0.03664457 0.01610750 -0.01466649
1.99961671 27.33354308 8.46790935
0.00051375 0.00012069 0.00016264
-0.01735361 -0.01864510 0.03378849
10.00416934 -6.18921902 -1.98553017
-0.00027678 -0.00001248 0.00016275
0.00686697 -0.00871283 0.01796158
-8.79705515 0.63664097 5.90441324
-0.00001923 0.00025186 0.00018144
0.00648022 -0.01621873 0.00876332
20.41965136 10.68743949 8.83596577
-0.00013030 0.00021302 0.00017079
0.00259402 0.03613313 -0.01721067
-2.67097531 -2.15772581 -27.16647928
0.00058083 0.00005336 -0.00005296
0.01479710 0.02570381 -0.03764671
-14.29832613 6.07497615 7.49876930
-0.00000357 0.00002769 0.00026931
0.00268565 -0.00553563 0.00247355
-9.83840302 7.21465693 -2.66139136
0.00039803 0.00014090 0.00014882
0.00563037 -0.01185027 0.03602002
-1.70955773 -15.78021857 23.95026724
-0.00008128 0.00019386 -0.00052769
-0.04261627 0.01304104 0.01694472
-2.59841079 6.35042231 -6.40773133
-0.00001113 -0.00017123 0.00021652
-0.00954736 0.00619136 -0.00693713
-20.27109061 31.09226090 4.52048510
0.00039768 0.00001414 -0.00030841
0.00471373 0.02129936 0.02914210
7.57566983 0.03020235 8.06636289
0.00003884 -0.00003860 -0.00023990
-0.00222694 -0.01129078 -0.01782066
5.52979374 11.30511756 -13.89817249
0.00006434 0.00029035 0.00006962
0.01187266 0.01774853 0.01784869
15.77423584 3.10252009 -1.96845373
-0.00038857 -0.00047417 0.00000034
0.00546841 0.00673315 0.00665725
-4.15448145 13.60911289 -1.11647726
-0.00023985 -0.00007616 0.00038328
-0.00222001 -0.00064592 -0.02937753
4.54396029 12.63627367 3.28665482
0.00005441 -0.00035560 -0.00014013
0.05875756 0.05218908 -0.01090622
24.83245873 -11.77550506 -9.53910752
0.00012788 0.00021290 -0.00029595
-0.01618813 -0.00736300 0.02745342
16.41773576 -3.91829336 -0.38891042
0.00000619 0.00024624 -0.00011198
-0.01715349 0.03866344 0.00518893
12.94784101 7.88528389 9.88995305
-0.00002084 0.00013659 0.00033241
-0.01923432 0.00482413 0.02869584
1.67010240 -13.81895247 17.68304533
-0.00025247 -0.00010090 -0.00001579
0.01310804 0.00083489 0.00384527
-4.40189222 -0.67319493 -14.53474281
0.00026134 -0.00014503 0.00024972
0.02300095 0.04721964 -0.04001590
15.03263388 -8.11537137 -9.03829582
0.00015667 0.00030011 0.00009714
-0.01177715 0.01225236 -0.02627939
8.78789413 -6.62270756 8.55666508
-0.00034231 -0.00045913 0.00019836
-0.01027449 -0.02815130 0.03570810
-21.34743961 2.26776310 22.62643095
0.00002720 0.00008733 0.00035519
0.01584084 0.00665887 -0.02044727
25.83657307 -3.16259563 -7.81535479
-0.00012678 -0.00021647 -0.00034471
-0.01447784 0.02232626 0.00191064
9.83460560 -14.14723801 -7.72044817
0.00003437 0.00003269 -0.00033531
-0.00474234 0.02841755 -0.00527758
-6.33880111 -12.16587145 16.76172225
-0.00044641 -0.00042523 0.00021767
-0.01400303 -0.01861402 -0.01549279
8.23863946 3.44922870 -29.46639109
-0.00009141 0.00008089 0.00019868
-0.04207551 0.01736587 -0.01298333
10.90609169 15.59337840 15.18740663
-0.00026623 -0.00031924 0.00034854
0.00563659 -0.02041053 -0.02726222
28.53178272 6.04253622 -3.03390308
0.00014326 -0.00005264 -0.00014144
-0.02987356 0.01612075 -0.03100404
5.33695996 -31.28023797 -3.37119922
0.00011488 0.00051238 0.00021557
-0.00477554 0.00027198 0.00844478
3.95324201 -31.66621395 -0.67474465
-0.00049432 -0.00015436 -0.00044241
0.00694881 0.00708187 -0.00378306
-11.66363624 -3.80041093 -8.53975848
0.00006626 0.00005180 -0.00041829
-0.00308549 -0.02117822 0.00166113
-12.62872665 -2.13043632 -10.72088127
-0.00012498 0.00018317 0.00047489
-0.00892368 0.00093955 -0.02009945
-38.92036542 2.14885716 0.99598206
-0.00092737 -0.00018142 0.00018339
0.00651734 -0.00172613 -0.00132363
-37.74905977 4.05953604 -0.92440700
-0.00004037 0.00082877 -0.00032231
-0.00350564 0.00383029 -0.00362596
-10.84423295 -5.62599479 3.52055052
0.00031673 -0.00110519 0.00036094
0.00828094 -0.01575838 -0.00375314
-10.18645111 -2.84092068 3.62017855
-0.00087698 0.00054022 0.00004347
0.01336904 0.01161750 -0.00122471
5.37835310 -2.42570985 8.77254354
-0.00064784 -0.00097963 -0.00087673
0.01363645 0.02496259 -0.01088349
4.56621166 -3.51480073 11.23523762
0.00087673 -0.00022615 -0.00027390
-0.00322096 -0.00213363 0.01146845
-33.32291580 -2.00200359 -0.80286096
-0.00006753 0.00079212 -0.00005122
-0.00711616 -0.00347315 0.00424962
-32.58840276 0.63562291 0.18474078
-0.00011255 -0.00091937 0.00085812
0.00548258 -0.01819258 -0.00873226
14.77950761 12.91486576 -15.97108610
-0.00062539 -0.00039851 0.00052972
0.00475954 -0.00841909 0.05077822
16.51619843 11.99328982 -13.64641187
-0.00081663 -0.00025399 0.00099642
0.05503615 -0.02004850 0.00650563
-8.50783371 7.03416495 1.29358628
-0.00071614 0.00009442 -0.00030513
-0.00119861 0.00507910 0.00350339
-7.28742782 4.56795933 1.27591083
-0.00050279 -0.00088146 -0.00079540
0.00591325 -0.00607462 0.00018014
6.07395429 12.40934205 -6.77125416
0.00050997 -0.00039308 0.00045116
0.00785832 0.00447727 -0.00145993
8.94324760 13.66745583 -6.44435982
0.00007288 -0.00018120 -0.00064996
-0.02308281 -0.00916416 0.00783340
8.80000131 8.99688047 -20.63230503
-0.00091509 -0.00039477 0.00046645
-0.00723651 -0.01025124 -0.01557943
10.62667854 10.47009825 -19.11385184
-0.00018527 0.00174285 -0.00045571
0.00246880 0.00843222 0.00591866
24.16295219 15.74968408 -2.69815157
-0.00069642 0.00008045 0.00008382
-0.00957052 0.01599070 0.01210187
24.65437634 18.58213177 -2.36698255
0.00117072 -0.00146138 -0.00045731
-0.00053415 0.00709742 0.00321675
1.65363039 17.17039873 -21.13204250
-0.00077482 -0.00128092 0.00014339
0.01491563 -0.00939329 0.03580514
2.83381765 15.13657607 -19.12068871
-0.00075582 -0.00077344 0.00007746
0.00964731 0.00617510 -0.00405172
12.90285137 -1.30717581 -6.81904246
-0.00027237 0.00198405 -0.00020301
0.01558859 -0.00399204 0.00520531
12.95531571 -1.16194704 -3.95059246
0.00086026 -0.00072754 0.00045546
0.00378920 0.00252297 0.00936115
-17.45617272 -2.92541759 3.47154202
0.00075793 0.00037219 -0.00055405
-0.01444352 -0.03160670 0.00063883
-14.42601672 -2.49911467 3.29519214
0.00013052 -0.00005840 0.00102657
-0.00805797 -0.01602866 -0.00172061
-16.23086818 -0.14162422 19.81133609
0.00076072 -0.00075436 -0.00008387
0.00085125 0.00517907 0.01075786
-15.64833535 -2.98677338 19.43353626
-0.00038315 0.00037743 -0.00041118
0.01361159 -0.00741272 0.00712962
-0.74170076 0.58012209 -5.16036839
-0.00005786 0.00044330 -0.00046575
-0.01392565 0.00182287 0.00537110
-0.77778992 3.59968953 -4.82476416
-0.00010427 0.00024151 -0.00026142
-0.00404448 -0.01411456 -0.00391164
23.31593846 -8.69989346 -9.27845253
-0.00000757 -0.00106283 -0.00044464
0.00561374 -0.01644015 0.00027200
23.64248164 -5.92578422 -8.42835056
0.00004131 0.00120548 -0.00028247
-0.00433364 -0.00384197 -0.00256220
0.54145452 -5.93054109 5.77600094
-0.00011408 0.00043248 0.00010831
-0.00480883 0.00103981 0.01235287
-0.35726392 -5.15690579 8.52934953
0.00071162 0.00032275 -0.00032207
0.00703780 0.00050111 0.00216927
-1.02888437 -3.05095554 -18.69167801
0.00003113 -0.00059913 -0.00015851
-0.01036559 0.02870557 -0.01164032
-3.16682509 -2.08358310 -20.37758681
0.00053184 -0.00050947 -0.00054689
-0.01626149 -0.00212075 -0.00954646
2.83267954 2.41872625 -11.05950991
-0.00033925 -0.00086505 0.00081422
0.00469470 0.00448716 0.01071715
1.80757785 2.54735009 -8.21544660
0.00013430 0.00079079 -0.00014630
0.02241069 -0.00441757 -0.00437031
-2.41602892 16.89711150 12.70321863
0.00004018 -0.00039695 -0.00012482
0.02369141 -0.03048293 -0.00016281
-3.49504073 19.29543833 13.41919815
0.00039513 0.00090247 0.00012350
-0.00696451 0.00986498 0.00881049
-4.42429378 6.42062007 -12.40732022
-0.00038236 -0.00037549 0.00081189
0.02175725 -0.04402917 0.02230412
-2.90508302 3.48625355 -12.13252460
-0.00030361 0.00062036 -0.00025865
-0.03155068 0.04108910 0.00693591
-7.72359805 2.28532195 -7.48515936
-0.00041986 -0.00013831 -0.00004852
-0.00116129 -0.01123073 0.01321516
-6.39079884 3.77865340 -9.51229929
0.00105007 -0.00030354 0.00021725
-0.04000511 -0.00780360 0.00208136
2.00595933 28.22884234 6.93037323
0.00035978 0.00024091 0.00031274
0.00386914 0.01716854 -0.02812112
0.28953408 27.59560178 9.09937707
-0.00001610 0.00062260 0.00015635
0.01173762 0.00269227 -0.00354563
10.87865531 -6.93356171 -0.47352041
-0.00041450 -0.00093301 -0.00050754
-0.01342308 0.00482421 -0.02147029
8.76432802 -7.43145228 -2.56740995
-0.00014842 0.00033863 -0.00070379
0.00891831 0.00470121 0.00797928
-6.98289837 0.21926816 6.31103453
0.00009202 0.00005682 0.00000626
-0.01704745 0.00362162 -0.00086694
-9.63980759 -0.68862676 6.88285127
0.00160050 0.00004062 -0.00060568
-0.00020605 0.01444561 -0.00541126
21.63466946 10.30142213 10.11635098
0.00025452 -0.00074382 -0.00086212
0.00677208 -0.00583807 0.01187582
20.82646351 12.53318465 8.48653333
0.00035316 -0.00066848 -0.00066813
-0.00838279 -0.02510943 0.00168641
-1.61914695 -3.22812585 -26.22392823
0.00035575 -0.00105116 -0.00070513
0.01846612 -0.02468289 0.02148939
-4.32630462 -2.25072093 -26.54391376
-0.00059923 0.00021406 -0.00045583
-0.02824801 -0.00108665 0.01379328
-14.35596939 7.15968291 8.95507977
0.00028063 0.00049443 0.00001725
-0.00154759 0.00147778 0.00133179
-14.81949125 7.19774391 6.16443666
-0.00123196 0.00050512 0.00088443
-0.00072791 0.00266905 -0.00458015
-11.20252449 6.66150718 -3.66881377
0.00002772 0.00044725 0.00048166
-0.01189095 0.00555348 -0.01630796
-8.70318451 8.25369953 -3.60288979
0.00004956 0.00037160 -0.00012269
0.00540709 0.00870741 -0.01883785
-1.07198345 -17.48757145 23.45120067
-0.00017677 0.00033430 -0.00000261
-0.01568249 0.00849203 0.00592981
-3.59262554 -15.65922066 24.54261535
-0.00027403 0.00017096 -0.00010645
0.05876382 -0.01658652 -0.02353924
-3.05009951 5.58815147 -8.06145967
0.00073803 0.00006292 -0.00054021
0.00621165 0.01504898 0.01345200
-3.74655842 7.81610898 -6.16598459
-0.00035655 0.00062287 -0.00020720
0.00080935 -0.01589667 -0.00333437
-21.19958621 30.50385209 3.10353320
0.00081850 0.00082201 -0.00043925
-0.02684157 -0.01707090 -0.01797102
-21.36888434 32.33971325 5.38024274
0.00072241 -0.00093765 -0.00006053
0.00380176 -0.02181272 -0.00513702
6.98037143 -0.30956309 6.26771205
0.00030461 0.00082520 0.00020088
0.00544508 0.01508002 0.02080422
7.32177993 1.76446198 8.57239332
0.00047499 0.00061834 -0.00114940
-0.00428881 0.00066349 -0.01359014
6.66117924 12.75569872 -13.52550212
0.00043030 0.00064520 -0.00085643
0.00295487 -0.01449845 -0.00419013
4.44614452 12.15083551 -15.08271276
0.00062868 -0.00089148 0.00131051
-0.00714871 -0.00328494 -0.00544445
14.50079184 4.00074411 -2.90697547
-0.00014783 -0.00077505 -0.00079069
-0.00193002 0.00978200 0.00003699
15.21617058 1.39379955 -2.00513574
-0.00013772 0.00028681 0.00031365
0.00112377 -0.01383979 -0.00098544
-2.45737423 13.51258104 -0.53067080
-0.00008469 0.00007395 -0.00013277
0.00431264 -0.00587527 0.01017340
-5.38519551 13.04641265 0.10199846
-0.00036052 -0.00060309 0.00049236
-0.00020861 -0.00422870 0.01599966
3.80634451 11.07441726 3.54632107
-0.00011307 -0.00106812 -0.00027899
-0.02639725 -0.05708451 0.00955793
6.39394326 12.33125037 3.63045009
0.00002775 -0.00025799 -0.00019461
-0.02593589 0.00225301 -0.01129040
25.26760022 -13.35282121 -8.73093605
0.00047923 0.00040125 0.00039873
-0.00872829 0.00227484 0.00613700
26.00216057 -11.62305350 -10.85457724
0.00071592 0.00007570 0.00062634
0.02632898 0.00576182 -0.04097779
14.67906935 -4.04550618 -0.95213866
0.00043933 -0.00042793 -0.00007806
0.01256873 0.00458024 0.00645351
17.17067405 -5.45933155 -0.81606748
-0.00008810 -0.00012941 -0.00026157
0.01560202 -0.03686149 -0.00860709
11.88113762 8.08134373 11.45304657
0.00108279 -0.00027260 0.00004013
0.01564965 -0.01145754 -0.01442031
12.87003629 9.56681400 9.20560877
0.00061419 -0.00011837 0.00008585
0.00980652 0.01108084 -0.00794799
0.01857152 -14.43459558 17.03656778
-0.00059447 -0.00032260 0.00010653
0.00797266 0.01398471 0.00482869
1.75664123 -12.05659984 18.24904664
0.00004392 -0.00079381 0.00007186
-0.01279750 -0.01700383 -0.00910917
-4.11638192 -2.11221677 -13.57026752
0.00059822 -0.00049739 -0.00011890
0.00768780 -0.03698158 0.02443223
-3.08705571 -0.55830250 -15.90196455
-0.00083738 0.00043829 0.00073506
-0.02079584 -0.01048136 0.01595975
14.41945202 -8.08569858 -10.83195305
-0.00112870 0.00030966 0.00141805
0.00422050 -0.01621215 0.01465869
15.94551172 -6.50657270 -9.14868505
0.00103558 0.00133915 -0.00057576
0.01195167 0.00073336 0.01004086
7.28311817 -5.82977801 9.30726123
-0.00071560 0.00026576 0.00072257
0.00399912 0.00884413 -0.01336690
9.35053669 -5.63382425 7.19915693
0.00011410 -0.00059385 0.00012293
0.00522350 0.01926457 -0.02251022
-20.92573898 2.25511000 20.79076799
-0.00053561 -0.00088347 -0.00065992
-0.01096438 -0.00706513 0.02198295
-21.77413324 0.57570391 23.19565180
0.00035240 0.00032118 -0.00000749
-0.00532306 0.00192790 -0.00309983
26.38169491 -2.89103838 -6.08711447
0.00023180 -0.00020174 -0.00035773
0.00650750 -0.00086406 0.00351712
25.18801364 -1.43543752 -8.18071441
-0.00031923 -0.00013653 0.00002562
0.00862133 -0.01514934 -0.00347590
9.02597919 -15.77741498 -7.59288822
-0.00060278 -0.00034789 0.00008709
0.00298094 -0.01151609 -0.00137557
8.60007681 -12.89147584 -7.13944551
0.00009994 0.00009602 -0.00006814
0.01349240 -0.00679182 0.00032168
-5.56198035 -11.03188307 17.88899876
-0.00026935 -0.00028257 0.00052779
0.01329339 0.02290563 0.01883495
-7.19290003 -11.14300178 15.49595758
-0.00105061 -0.00047005 0.00003729
0.00905446 -0.00014998 -0.00031878
9.37879734 2.08181474 -29.49077775
-0.00138319 -0.00141055 0.00048209
0.01146363 -0.02035395 -0.00998779
6.81221209 3.19116001 -30.69261638
-0.00004377 0.00046955 0.00030318
0.01742484 -0.00971292 0.02152070
12.57277866 14.81187883 14.70447360
0.00032070 0.00056643 -0.00034942
-0.00361138 0.00249823 -0.01920187
11.29472227 16.05787248 16.84457862
-0.00036191 -0.00064200 -0.00025265
-0.00067383 0.01692839 0.04554723
28.99142357 5.04458626 -4.52300327
0.00078720 -0.00034158 -0.00017758
0.00647227 -0.00213174 0.00781625
26.78783016 6.58705618 -3.57437793
0.00044392 -0.00051808 -0.00069892
0.01700108 0.00126018 0.01485056
-9.96576922 4.90985674 6.91897778
0.00003658 -0.00008510 -0.00018430
0.00068363 -0.00651238 -0.00745880
-8.66985897 13.24961907 2.58625266
-0.00004124 0.00007813 0.00003527
0.00018235 -0.00138162 -0.00432486
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09554088
0.32324310
430.70522415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4105305076 (a.u.)
total exchange computation time: 2.6805548668 s
-154.2687898927
-931.42149088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4098322952 (a.u.)
total exchange computation time: 2.6813549995 s
-154.2755914864
Anderson extrapolation: theta=1.3594683452 (1.3594683452)
-931.42171454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4087939279 (a.u.)
total exchange computation time: 2.6794981956 s
-154.2854655784
Anderson extrapolation: theta=0.0563154532 (0.0563154532)
-931.42184882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4086678171 (a.u.)
total exchange computation time: 2.6794590950 s
-154.2865414644
Anderson extrapolation: theta=2.0701526823 (2.0000000000)
-931.42185427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4084036635 (a.u.)
total exchange computation time: 2.6809918880 s
-154.2887370041
Anderson extrapolation: theta=0.2699452019 (0.2699452019)
-931.42186007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4083390247 (a.u.)
total exchange computation time: 2.6801879406 s
-154.2892283960
Anderson extrapolation: theta=1.5933909657 (1.5933909657)
-931.42186119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4082652705 (a.u.)
total exchange computation time: 2.6834850311 s
-154.2897394628
Anderson extrapolation: theta=0.3344266421 (0.3344266421)
-931.42186220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4082691091 (a.u.)
total exchange computation time: 2.6795361042 s
-154.2896563341
Anderson extrapolation: theta=1.1396128350 (1.1396128350)
-931.42186245
-71.609807 23.486232 142.654130
559.295801 1032.141106 -412.726532
487.685994 1055.627338 -270.072402
1193.786333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4082939764 (a.u.)
total exchange computation time: 2.6813340187 s
679.53193652
-1084.78980198
89.67279648
-388.47831162
-174.95018798
78.81962885
551.60419304
0.00000000
-931.42186256
3.91097737 -30.74755074 -2.27411308
0.00005345 0.00009339 0.00003667
0.00638525 -0.02187550 -0.00474110
-11.75789747 -2.10614280 -9.16625992
0.00035284 0.00038512 -0.00010767
0.01005357 0.02501024 0.01834421
-37.44686614 2.46130888 -0.05155169
-0.00000931 0.00004596 0.00018036
-0.00404662 -0.01423167 0.01054339
-11.55654858 -3.99050239 3.83771207
-0.00024285 -0.00004542 -0.00005778
-0.01231909 -0.00325986 0.00770721
4.56596751 -3.86611745 9.44688488
-0.00037118 0.00000021 -0.00027846
-0.01634306 -0.03134248 0.00573249
-31.88609759 -0.89104054 -0.62429555
0.00000355 0.00064819 0.00021307
-0.01927396 0.01858616 0.00966466
14.92227978 12.58734450 -14.00978530
-0.00044273 0.00008373 0.00005657
-0.06108280 0.02716600 -0.05313352
-7.70711548 5.90058940 2.48388412
0.00004797 0.00033040 0.00030927
-0.00168247 -0.00398141 -0.01022625
7.49187352 12.57625038 -5.61430412
0.00023072 0.00013980 -0.00033081
0.00919753 0.00285374 -0.01036261
8.90225324 9.82923812 -19.04452013
-0.00012871 0.00004783 0.00008245
0.00594071 0.00258882 0.00944595
23.30720821 17.35251455 -2.11889443
0.00022694 -0.00019503 -0.00002965
-0.00420785 -0.00380518 -0.00630696
2.27119147 16.90550002 -19.27187478
0.00008447 0.00007247 -0.00054007
-0.02665992 0.00556473 -0.02994683
14.07852083 -1.39730432 -5.36544804
-0.00014706 0.00027289 -0.00022967
-0.01667032 0.00254060 -0.02682060
-16.11435481 -1.77340827 3.23833295
-0.00002229 0.00049617 -0.00020726
0.02827428 0.04829591 0.00646031
-16.96329268 -1.77334246 19.35653163
0.00022789 -0.00022025 -0.00036631
-0.01507649 0.00271677 -0.01466939
0.28994422 2.10099858 -5.09471580
0.00023094 -0.00026096 0.00023308
0.01090603 0.02109473 -0.00240433
22.40186597 -7.18686864 -8.96100428
0.00036973 -0.00000966 0.00011493
0.00339885 0.02118013 0.00839307
-0.49858304 -6.43120170 7.24823420
-0.00025587 -0.00003443 0.00002193
-0.00216982 -0.00515293 -0.01322973
-1.85786178 -1.44223796 -19.29654327
0.00018642 0.00030040 -0.00003403
0.02417220 -0.03459235 0.02131536
3.34096578 2.20834119 -9.28984894
-0.00018867 -0.00022125 -0.00008964
-0.02035380 -0.00053834 0.00256909
-3.72587745 17.99393684 12.17449486
-0.00024713 -0.00026152 0.00016323
-0.01956633 0.02267044 -0.00557146
-3.76370567 4.98882097 -11.25916284
-0.00026271 0.00001660 0.00033586
0.01061521 -0.00199349 -0.03277576
-8.14157919 3.19346452 -8.97781026
0.00020072 -0.00031271 -0.00003039
0.03913668 0.01796177 -0.01706797
2.00725607 27.33528158 8.47047930
0.00050385 0.00011137 0.00018027
-0.02115978 -0.01763092 0.03476881
10.00004416 -6.18943983 -1.98301961
-0.00027334 -0.00001682 0.00017163
0.00648634 -0.00816541 0.01655845
-8.79731857 0.64035638 5.90716865
-0.00001468 0.00024460 0.00018509
0.01120347 -0.01202039 0.00541961
20.41770679 10.69077419 8.83846122
-0.00012946 0.00023068 0.00016166
0.00069214 0.03252486 -0.01827625
-2.66220578 -2.15682624 -27.16741891
0.00058657 0.00006622 -0.00007127
0.00750815 0.02430518 -0.03355494
-14.29836930 6.07537019 7.50281853
-0.00000241 0.00002543 0.00027039
0.00181838 -0.00326471 0.00171701
-9.83241078 7.21672474 -2.65902015
0.00040094 0.00013486 0.00016712
0.00567179 -0.01163986 0.03515779
-1.71094138 -15.77726030 23.94241725
-0.00010351 0.00020102 -0.00051877
-0.04382573 0.01479430 0.01774274
-2.59861458 6.34787769 -6.40451031
-0.00001678 -0.00016737 0.00021258
-0.01240992 0.00881689 -0.00839496
-20.26510721 31.09255519 4.51597138
0.00040105 0.00002430 -0.00029345
0.00837443 0.01821145 0.02901726
7.57624390 0.02957972 8.06269563
0.00003777 -0.00004339 -0.00024824
-0.00195929 -0.00729998 -0.01459714
5.53080464 11.30954126 -13.89705932
0.00007288 0.00029819 0.00008110
0.02131886 0.01275817 0.02679750
15.76842838 3.09543348 -1.96842295
-0.00038543 -0.00046890 0.00000367
0.00672670 0.01376872 0.00630735
-4.15808777 13.60796800 -1.11084137
-0.00024150 -0.00007666 0.00036853
-0.00421410 -0.00131227 -0.02796603
4.54500302 12.63114092 3.28451073
0.00008348 -0.00033041 -0.00014552
0.05429173 0.04579171 -0.01002243
24.83431454 -11.77234003 -9.54344081
0.00011937 0.00020858 -0.00028135
-0.01693637 -0.00943636 0.02929058
16.41776250 -3.91445065 -0.39057011
-0.00000152 0.00026515 -0.00010943
-0.01285267 0.03488814 0.00472022
12.94745424 7.88735133 9.89504982
-0.00002977 0.00013848 0.00034602
-0.01548381 0.00252132 0.02423252
1.66636591 -13.82046281 17.68282338
-0.00024610 -0.00010179 -0.00001436
0.01166000 -0.00428960 0.00169755
-4.39788335 -0.67518817 -14.53115134
0.00027197 -0.00012133 0.00023075
0.01830842 0.04494095 -0.03374729
15.03493846 -8.11082246 -9.03694007
0.00015189 0.00030827 0.00008483
-0.00678390 0.01949336 -0.02159955
8.78271984 -6.62970304 8.55977821
-0.00034849 -0.00047283 0.00021698
-0.01375572 -0.02514506 0.03669880
-21.34697055 2.26909877 22.63167997
0.00003581 0.00009120 0.00034304
0.01763524 0.00838751 -0.02679801
25.83461549 -3.16575661 -7.82051806
-0.00013415 -0.00020490 -0.00034354
-0.01415788 0.02266255 0.00263660
9.83510285 -14.14663806 -7.72549819
0.00003121 0.00004616 -0.00033781
-0.00755497 0.02398555 -0.00443561
-6.34555132 -12.17232169 16.76492761
-0.00045345 -0.00043388 0.00020982
-0.01335160 -0.01501915 -0.01505469
8.23710603 3.45050908 -29.46346092
-0.00011223 0.00008910 0.00019210
-0.03890300 0.01455230 -0.01261488
10.90211993 15.58851112 15.19252958
-0.00026316 -0.00033000 0.00033289
0.00630740 -0.02145487 -0.03359789
28.53381634 6.04180880 -3.03614435
0.00012850 -0.00004479 -0.00015778
-0.02751610 0.01441886 -0.03250100
5.33853686 -31.27254400 -3.36770696
0.00009638 0.00051238 0.00024934
-0.00428275 -0.00026826 0.00808893
3.94604007 -31.66831231 -0.68149674
-0.00046504 -0.00012771 -0.00045398
0.00738821 0.00596412 -0.00188222
-11.66273691 -3.80028292 -8.54598195
0.00005413 -0.00003097 -0.00041116
-0.00285087 -0.01933867 0.00183152
-12.63087477 -2.12765999 -10.71437382
-0.00016374 0.00018806 0.00038853
-0.01005180 0.00145578 -0.02217617
-38.93407626 2.14608294 0.99869239
-0.00089171 -0.00018599 0.00017118
0.01093729 -0.00051141 -0.00465415
-37.74977280 4.07208500 -0.92935270
-0.00005336 0.00083352 -0.00033121
-0.00285270 -0.00150439 -0.00073101
-10.83922832 -5.64305546 3.52584968
0.00034514 -0.00115267 0.00034799
0.00562851 -0.00748502 -0.00258716
-10.19919621 -2.83246143 3.62079313
-0.00082063 0.00058699 0.00003789
0.01421861 0.01127759 -0.00150810
5.36905331 -2.43963934 8.75905910
-0.00058751 -0.00086874 -0.00092549
0.01589868 0.02931622 -0.01298424
4.57926396 -3.51825831 11.23148062
0.00086318 -0.00023382 -0.00022675
-0.00341369 -0.00162498 0.01160855
-33.32414685 -1.99022823 -0.80349907
-0.00009571 0.00077670 -0.00003430
-0.00667558 -0.00407667 0.00403538
-32.58992302 0.62127486 0.19734506
-0.00009388 -0.00098116 0.00082774
0.00365557 -0.01205262 -0.00614192
14.77027257 12.90863012 -15.96158430
-0.00060455 -0.00043236 0.00073310
0.00544375 -0.00814826 0.04877639
16.50563548 11.98886563 -13.63126629
-0.00059358 -0.00033508 0.00102197
0.05414939 -0.01964531 0.00600447
-8.51861249 7.03573682 1.28911671
-0.00071704 0.00010988 -0.00028515
0.00075399 0.00249105 0.00627647
-7.29478848 4.55455122 1.26398538
-0.00048270 -0.00089114 -0.00078172
0.00392146 0.00133874 0.00651367
6.08184469 12.40358307 -6.76453144
0.00053420 -0.00037545 0.00043881
0.00400239 0.00415036 -0.00458672
8.94363352 13.66445698 -6.45386914
-0.00002028 -0.00021785 -0.00061805
-0.02252025 -0.00877599 0.00778401
8.78605321 8.99064483 -20.62578575
-0.00094293 -0.00043651 0.00040251
-0.00639048 -0.01018012 -0.01571867
10.62397514 10.49649944 -19.12050614
-0.00018271 0.00177285 -0.00043299
-0.00121792 0.00624946 0.00520421
24.15221260 15.75138086 -2.69652345
-0.00073332 0.00013888 0.00013076
-0.00849309 0.01261210 0.01087562
24.67192070 18.56042851 -2.37374365
0.00116807 -0.00142984 -0.00044307
-0.00076293 0.00834379 0.00375211
1.64246521 17.15089709 -21.12879453
-0.00071394 -0.00131600 0.00028555
0.01488439 -0.00778023 0.03378307
2.82277591 15.12516369 -19.11965103
-0.00071750 -0.00074119 0.00006094
0.00911115 0.00961119 -0.00403499
12.89924346 -1.27753741 -6.82192814
-0.00020839 0.00196626 -0.00017923
0.01573393 -0.00471653 0.00643429
12.96833566 -1.17278288 -3.94347372
0.00087297 -0.00071647 0.00049494
0.00243332 0.00289600 0.00996327
-17.44524640 -2.92080332 3.46325083
0.00069133 0.00023814 -0.00055033
-0.01815419 -0.03401143 0.00118439
-14.42430578 -2.50048183 3.31053798
0.00009310 -0.00012066 0.00101865
-0.01026150 -0.01444888 -0.00215651
-16.21943136 -0.15278097 19.81040767
0.00076341 -0.00073021 -0.00003985
0.00046590 0.00664236 0.01079139
-15.65366550 -2.98133913 19.42758706
-0.00031706 0.00033594 -0.00038158
0.01874224 -0.01289593 0.00736087
-0.74299541 0.58682740 -5.16719006
-0.00011730 0.00044505 -0.00044372
-0.01517219 -0.00096403 0.00541438
-0.77947796 3.60287960 -4.82880535
-0.00011642 0.00017873 -0.00027804
-0.00190361 -0.01661211 -0.00422080
23.31599693 -8.71633971 -9.28511380
0.00001067 -0.00111651 -0.00044013
0.00331255 -0.00983415 0.00193552
23.64296846 -5.90781972 -8.43266608
0.00002139 0.00118240 -0.00029498
-0.00541657 -0.00745781 -0.00356146
0.53959590 -5.92402199 5.77800416
-0.00013472 0.00043472 0.00015887
-0.00529329 0.00005720 0.01239426
-0.34637398 -5.15204923 8.52458496
0.00073938 0.00032304 -0.00031291
0.00655345 -0.00035639 0.00231654
-1.02873513 -3.05906279 -18.69441231
-0.00001274 -0.00047533 -0.00020703
-0.01110624 0.03189095 -0.01211190
-3.15934578 -2.09129019 -20.38608273
0.00046916 -0.00051459 -0.00058271
-0.01441959 -0.00038498 -0.00798706
2.82773472 2.40588806 -11.04696818
-0.00032275 -0.00084535 0.00084516
0.00338205 0.00515261 0.00442571
1.81027908 2.55907659 -8.21777504
0.00022498 0.00077186 -0.00016295
0.02197806 -0.00485117 -0.00377854
-2.41470030 16.89022323 12.70134133
0.00013444 -0.00051828 -0.00012593
0.02245148 -0.02891257 -0.00038238
-3.48932715 19.30927764 13.42132061
0.00036567 0.00093108 0.00015033
-0.00745748 0.00414184 0.00432262
-4.42936240 6.41363859 -12.39445839
-0.00029593 -0.00055010 0.00089949
0.02055046 -0.04144645 0.02057390
-2.91060395 3.49681802 -12.13619183
-0.00043089 0.00078496 -0.00023046
-0.03075436 0.03948671 0.00686297
-7.72993155 2.28290322 -7.48548215
-0.00042349 -0.00018564 0.00000854
-0.00061711 -0.01193961 0.01471336
-6.37627361 3.77386115 -9.50897683
0.00088021 -0.00033759 0.00022766
-0.04314247 -0.00886234 0.00301413
2.01147462 28.23298202 6.93420254
0.00037597 0.00031058 0.00019762
0.00405703 0.01693742 -0.02822705
0.28965228 27.60502330 9.10161373
0.00003912 0.00063194 0.00013967
0.01529290 0.00188081 -0.00461881
10.87202652 -6.94740898 -0.48179144
-0.00046788 -0.00091348 -0.00059235
-0.01270686 0.00473163 -0.02004509
8.76237499 -7.42622873 -2.57772231
-0.00011278 0.00035706 -0.00067138
0.00852584 0.00431995 0.00788713
-6.98204051 0.22023136 6.31110185
0.00002238 0.00007353 0.00000151
-0.01703811 0.00455914 -0.00145867
-9.61580636 -0.68757481 6.87360020
0.00159029 0.00008903 -0.00061968
-0.00479397 0.00924964 -0.00144027
21.63869475 10.29008600 10.10378302
0.00028471 -0.00076741 -0.00081128
0.00800655 -0.00570928 0.01301133
20.83150401 12.52238802 8.47656303
0.00032018 -0.00076432 -0.00066087
-0.00775818 -0.02180705 0.00186867
-1.61324485 -3.24464954 -26.23384666
0.00042734 -0.00114895 -0.00061956
0.01657817 -0.02318812 0.02039939
-4.33615864 -2.24754336 -26.55032850
-0.00069631 0.00020979 -0.00040574
-0.01927479 -0.00100086 0.01072379
-14.35180742 7.16714459 8.95537938
0.00027508 0.00049884 0.00002339
-0.00116632 0.00068414 0.00167366
-14.83799300 7.20540256 6.17756272
-0.00123362 0.00051284 0.00086664
-0.00008286 0.00110581 -0.00412619
-11.20247299 6.66838613 -3.66208857
-0.00002054 0.00047007 0.00041575
-0.01173419 0.00561671 -0.01595779
-8.70227536 8.25954043 -3.60530739
0.00007090 0.00040619 -0.00019858
0.00503801 0.00822103 -0.01830909
-1.07511560 -17.48229680 23.45134329
-0.00023956 0.00036569 0.00002061
-0.01505313 0.00687754 0.00543402
-3.59493526 -15.65716453 24.54029733
-0.00003294 0.00010318 -0.00020337
0.05924881 -0.01659207 -0.02390655
-3.03883871 5.58955649 -8.06915064
0.00076379 0.00012619 -0.00048116
0.00639703 0.01591873 0.01545340
-3.75188185 7.82496489 -6.16919479
-0.00034812 0.00055077 -0.00022173
0.00331626 -0.01939784 -0.00377602
-21.18813129 30.51565914 3.09639370
0.00070646 0.00075020 -0.00051674
-0.02800095 -0.01807917 -0.01995693
-21.35793176 32.32498004 5.37917739
0.00073225 -0.00101936 -0.00007722
0.00101726 -0.01818315 -0.00303235
6.98510744 -0.29672296 6.27136283
0.00032516 0.00088382 0.00027984
0.00461385 0.01361473 0.01784501
7.32877340 1.77375741 8.55473585
0.00045861 0.00061632 -0.00120445
-0.00373269 -0.00165379 -0.01335432
6.66772424 12.76493244 -13.53847696
0.00044120 0.00058351 -0.00087341
0.00238067 -0.01569749 -0.00412150
4.45535559 12.13736272 -15.06322188
0.00058159 -0.00089254 0.00126930
-0.01589885 0.00276233 -0.01472786
14.49851531 3.98941816 -2.91883465
-0.00015414 -0.00073553 -0.00078933
-0.00116254 0.00956054 0.00062924
15.21413927 1.39767760 -2.00046125
-0.00013718 0.00021690 0.00030975
-0.00086214 -0.02038401 -0.00092275
-2.45851249 13.51351028 -0.53235066
-0.00006704 0.00004961 -0.00009080
0.00432738 -0.00603823 0.01037525
-5.39060963 13.03723664 0.10987413
-0.00035739 -0.00061855 0.00055445
0.00173969 -0.00333448 0.01439275
3.80383954 11.05664626 3.54242905
-0.00021359 -0.00128648 -0.00024182
-0.02280682 -0.04980334 0.00863806
6.39356479 12.32744959 3.62718496
-0.00007708 -0.00024908 -0.00024046
-0.02537877 0.00210664 -0.01115198
25.27452114 -13.34673282 -8.72476701
0.00044209 0.00041349 0.00042276
-0.00944936 0.00371930 0.00562380
26.01370616 -11.62174145 -10.84643785
0.00082615 0.00010018 0.00045623
0.02763147 0.00622005 -0.04229267
14.68604442 -4.05178473 -0.95311188
0.00048367 -0.00040871 -0.00005310
0.00913501 0.00482658 0.00576725
17.16983062 -5.46240229 -0.82025471
-0.00002652 -0.00027339 -0.00029434
0.01454364 -0.03361465 -0.00743375
11.89785898 8.07690362 11.45320658
0.00114001 -0.00031723 -0.00001066
0.01236138 -0.01039017 -0.01043971
12.87954965 9.56537806 9.20665297
0.00065329 -0.00007087 0.00005343
0.00933280 0.01216703 -0.00792237
0.00989877 -14.43900606 17.03831371
-0.00055880 -0.00026416 0.00012741
0.00948924 0.01462344 0.00539026
1.75690794 -12.06902804 18.24984541
-0.00000835 -0.00085412 0.00003744
-0.01279304 -0.01251662 -0.00773999
-4.10717306 -2.12081086 -13.57130240
0.00062884 -0.00064441 -0.00002218
0.00729978 -0.03498442 0.02291495
-3.10025364 -0.55204936 -15.89044958
-0.00091226 0.00039586 0.00079061
-0.01585797 -0.01028541 0.01123370
14.40265090 -8.08155045 -10.81023314
-0.00111348 0.00024438 0.00146867
0.00322718 -0.01574451 0.01011900
15.96141161 -6.48646296 -9.15701384
0.00107601 0.00132732 -0.00053471
0.00783947 -0.00652436 0.01005483
7.27250675 -5.82552054 9.31769011
-0.00069093 0.00029753 0.00066271
0.00807355 0.00670538 -0.01593520
9.35240823 -5.64214160 7.20031103
0.00013395 -0.00051672 0.00003385
0.00449456 0.01848793 -0.02109410
-20.93410910 2.24164139 20.78154288
-0.00058198 -0.00091021 -0.00056069
-0.01173517 -0.00602284 0.02658754
-21.76901038 0.58058071 23.19544442
0.00032894 0.00032352 -0.00001692
-0.00615911 -0.00078402 -0.00151306
26.38537134 -2.89409091 -6.09237266
0.00025783 -0.00020567 -0.00034468
0.00623556 -0.00106360 0.00287330
25.18348939 -1.43794963 -8.18043655
-0.00028398 -0.00019865 0.00001111
0.00863404 -0.01526077 -0.00362966
9.01702891 -15.78298628 -7.59162399
-0.00058503 -0.00038585 0.00008055
0.00570451 -0.00706451 -0.00182549
8.60198933 -12.89024374 -7.14045782
0.00015573 0.00006815 -0.00006716
0.01381683 -0.00684815 0.00015984
-5.56561324 -11.03541977 17.89749277
-0.00021890 -0.00019342 0.00059918
0.01140274 0.02073400 0.01611276
-7.20838175 -11.15005714 15.49650711
-0.00101056 -0.00047296 0.00004033
0.01055172 -0.00127526 0.00180670
9.35840074 2.06003285 -29.48385239
-0.00134051 -0.00148824 0.00044223
0.00943131 -0.01768002 -0.00952849
6.81208945 3.19790565 -30.68740922
0.00002488 0.00042994 0.00038922
0.01618123 -0.00967738 0.02059797
12.57747848 14.82045176 14.69864396
0.00030367 0.00057734 -0.00042621
-0.00472455 0.00284621 -0.01839013
11.28927299 16.04876117 16.84218450
-0.00036216 -0.00057003 -0.00005639
0.00055082 0.01830292 0.05052737
29.00342987 5.03939722 -4.52542742
0.00081239 -0.00034804 -0.00014191
0.00585839 -0.00103000 0.00964288
26.79500997 6.57932359 -3.58440669
0.00051000 -0.00051179 -0.00063844
0.01534327 0.00182119 0.01475729
-9.96521875 4.90856272 6.91619332
0.00003681 -0.00008736 -0.00018695
0.00060003 -0.00609572 -0.00739173
-8.67047732 13.25078863 2.58677423
-0.00004123 0.00007781 0.00003427
-0.00003258 -0.00135415 -0.00428994
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09518383
0.32667873
435.28302473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4081012704 (a.u.)
total exchange computation time: 2.5684530735 s
-154.2578223168
-931.42484320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4074119714 (a.u.)
total exchange computation time: 2.5634889603 s
-154.2643984958
Anderson extrapolation: theta=1.3952760146 (1.3952760146)
-931.42507167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4063439944 (a.u.)
total exchange computation time: 2.5638029575 s
-154.2742050921
Anderson extrapolation: theta=0.0700156016 (0.0700156016)
-931.42521804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4061910534 (a.u.)
total exchange computation time: 2.5656409264 s
-154.2753782331
Anderson extrapolation: theta=2.3894345852 (2.0000000000)
-931.42522708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4058719920 (a.u.)
total exchange computation time: 2.5627849102 s
-154.2776995864
Anderson extrapolation: theta=0.4549944412 (0.4549944412)
-931.42523963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4057445653 (a.u.)
total exchange computation time: 2.5620141029 s
-154.2785096474
Anderson extrapolation: theta=0.9391638735 (0.9391638735)
-931.42524365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4056634218 (a.u.)
total exchange computation time: 2.5647058487 s
-154.2788940578
Anderson extrapolation: theta=0.5803515262 (0.5803515262)
-931.42524653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4056555840 (a.u.)
total exchange computation time: 2.5626599789 s
-154.2787662647
Anderson extrapolation: theta=0.7038059809 (0.7038059809)
-931.42524781
-71.571014 23.469624 142.671998
559.299463 1032.105644 -412.728810
487.728449 1055.575268 -270.056812
1193.754107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4056799526 (a.u.)
total exchange computation time: 2.5626518726 s
679.48531622
-1084.69740424
89.68043207
-388.54328370
-174.94462885
78.76951849
551.60419304
0.00000000
-931.42524847
3.91180367 -30.74623423 -2.27358134
0.00005653 0.00008251 0.00003384
0.00561490 -0.02044590 -0.00626699
-11.75256613 -2.10026959 -9.16780425
0.00035811 0.00039722 -0.00009785
0.01046536 0.02205961 0.01984393
-37.44702146 2.46194346 -0.04880565
-0.00001257 0.00003967 0.00018581
-0.00861043 -0.01026527 0.01065105
-11.56023881 -3.99119620 3.83687503
-0.00024858 -0.00004899 -0.00005404
-0.00997968 -0.01064014 0.00686057
4.56033680 -3.86623518 9.44273004
-0.00038000 -0.00001681 -0.00027498
-0.01797805 -0.03486291 0.00781600
-31.88611866 -0.88124600 -0.62106222
-0.00000595 0.00065606 0.00021731
-0.01766437 0.01203102 0.00680893
14.91540324 12.58870524 -14.00914175
-0.00047336 0.00009720 0.00003028
-0.05802810 0.02519950 -0.04907795
-7.70640247 5.90553000 2.48848369
0.00004709 0.00032721 0.00030179
-0.00171105 -0.00840952 -0.01885766
7.49536973 12.57835839 -5.61930631
0.00023616 0.00014117 -0.00033517
0.01198870 0.00246970 -0.00658786
8.90034558 9.82996556 -19.04324688
-0.00012488 0.00004962 0.00008736
0.00894402 0.00435169 0.00963152
23.31059601 17.34957448 -2.11936349
0.00022433 -0.00019625 -0.00003283
-0.00591557 -0.00095997 -0.00605476
2.27235562 16.90660850 -19.28009141
0.00007108 0.00007403 -0.00055467
-0.02541093 0.00052308 -0.02680087
14.07625056 -1.39320113 -5.36899649
-0.00015532 0.00027425 -0.00024375
-0.01542778 0.00275138 -0.02794903
-16.11458007 -1.76577938 3.23524902
-0.00000658 0.00052093 -0.00020399
0.03282095 0.04796711 0.00624231
-16.95993254 -1.77663569 19.35098039
0.00021907 -0.00021788 -0.00037403
-0.01920973 0.00650193 -0.01536079
0.29345035 2.09716556 -5.09122894
0.00023633 -0.00024887 0.00023199
0.01005723 0.02591807 -0.00180681
22.40742504 -7.18693186 -8.95924790
0.00037225 0.00000044 0.00011907
0.00639456 0.01809726 0.00769017
-0.50242939 -6.43173805 7.24851214
-0.00025671 -0.00003660 0.00001512
-0.00113064 -0.00327820 -0.01326217
-1.85497228 -1.43786545 -19.29697143
0.00019841 0.00028148 -0.00002374
0.02247021 -0.03897008 0.01869850
3.33805715 2.20502034 -9.29118367
-0.00019853 -0.00022170 -0.00008679
-0.01798772 -0.00118927 0.00850469
-3.72965992 17.99010153 12.17692181
-0.00025652 -0.00024912 0.00016164
-0.01694106 0.02552522 -0.00061542
-3.76760544 4.98906230 -11.25425132
-0.00025711 0.00001532 0.00031969
0.01118734 -0.00297493 -0.03011897
-8.13841740 3.18884313 -8.97833195
0.00022131 -0.00030316 -0.00003957
0.04091850 0.01917000 -0.01862391
2.01473219 27.33688406 8.47331747
0.00049213 0.00010271 0.00019806
-0.02440074 -0.01602990 0.03441252
9.99596903 -6.18972363 -1.98038131
-0.00027014 -0.00002079 0.00017970
0.00598855 -0.00725977 0.01484243
-8.79749557 0.64397905 5.90996588
-0.00000778 0.00023962 0.00018694
0.01564674 -0.00734468 0.00178305
20.41576757 10.69435981 8.84081567
-0.00012952 0.00024631 0.00015215
-0.00094607 0.02825858 -0.01871390
-2.65337832 -2.15573915 -27.16861740
0.00058868 0.00007815 -0.00008731
0.00070218 0.02206504 -0.02882243
-14.29839845 6.07573905 7.50688100
-0.00000172 0.00002437 0.00027106
0.00085678 -0.00087245 0.00090777
-9.82637479 7.21870275 -2.65637770
0.00040383 0.00012896 0.00018481
0.00557788 -0.01129143 0.03362250
-1.71266313 -15.77418790 23.93470414
-0.00012613 0.00020909 -0.00050951
-0.04411377 0.01658382 0.01826320
-2.59891412 6.34540109 -6.40135404
-0.00002379 -0.00016221 0.00020795
-0.01485104 0.01125093 -0.00960557
-20.25905920 31.09298998 4.51168152
0.00040622 0.00003266 -0.00027893
0.01173446 0.01430660 0.02746110
7.57680286 0.02890078 8.05891575
0.00003688 -0.00004610 -0.00025481
-0.00150871 -0.00324003 -0.01096756
5.53198000 11.31406338 -13.89573942
0.00008630 0.00030337 0.00009725
0.03090060 0.00737088 0.03598547
15.76267281 3.08845309 -1.96834352
-0.00038171 -0.00046011 0.00000680
0.00776565 0.02042112 0.00584835
-4.16172659 13.60681298 -1.10542123
-0.00024414 -0.00007754 0.00035458
-0.00604615 -0.00209835 -0.02630775
4.54646459 12.62636143 3.28228933
0.00010991 -0.00030886 -0.00015043
0.04849978 0.03799156 -0.00908279
24.83603969 -11.76924779 -9.54754812
0.00011078 0.00020329 -0.00026621
-0.01643332 -0.01112389 0.02959049
16.41769008 -3.91033880 -0.39219338
-0.00000678 0.00028187 -0.00010717
-0.00759827 0.03012572 0.00406531
12.94694802 7.88943821 9.90033353
-0.00003668 0.00013928 0.00035712
-0.01139134 0.00058531 0.01893969
1.66271938 -13.82200625 17.68261452
-0.00024043 -0.00010541 -0.00001406
0.01039162 -0.00978873 -0.00051429
-4.39373324 -0.67683470 -14.52782023
0.00028021 -0.00009920 0.00021533
0.01375035 0.04108762 -0.02621691
15.03719070 -8.10612317 -9.03575095
0.00014966 0.00031995 0.00007501
-0.00189828 0.02593133 -0.01656976
8.77743942 -6.63689252 8.56317446
-0.00035625 -0.00048487 0.00023583
-0.01640727 -0.02167667 0.03659483
-21.34636543 2.27049916 22.63672225
0.00004529 0.00009600 0.00032781
0.01923978 0.01027266 -0.03244107
25.83254868 -3.16874275 -7.82566098
-0.00014130 -0.00019325 -0.00034194
-0.01367123 0.02263886 0.00357938
9.83554181 -14.14585308 -7.73058242
0.00002667 0.00005731 -0.00033991
-0.01007220 0.01935024 -0.00373299
-6.35240453 -12.17888780 16.76801682
-0.00046002 -0.00044057 0.00020240
-0.01219998 -0.01101342 -0.01379495
8.23527246 3.45190172 -29.46062807
-0.00013118 0.00009565 0.00018581
-0.03475722 0.01090513 -0.01183763
10.89819683 15.58347831 15.19739334
-0.00025965 -0.00034115 0.00031445
0.00735610 -0.02188649 -0.03810870
28.53563768 6.04119263 -3.03863635
0.00011505 -0.00003780 -0.00017479
-0.02476600 0.01274527 -0.03367923
5.33985130 -31.26486647 -3.36371896
0.00008021 0.00051008 0.00028139
-0.00362996 -0.00085810 0.00760025
3.93929093 -31.67004515 -0.68836419
-0.00043399 -0.00010583 -0.00045750
0.00780907 0.00474681 0.00016050
-11.66201230 -3.80134010 -8.55209317
0.00004293 -0.00010508 -0.00040370
-0.00263088 -0.01693999 0.00181841
-12.63363894 -2.12479445 -10.70922547
-0.00020613 0.00019504 0.00029552
-0.01069921 0.00196199 -0.02334912
-38.94711679 2.14327738 1.00111748
-0.00083902 -0.00018594 0.00014615
0.01485504 0.00053705 -0.00760019
-37.75066066 4.08454176 -0.93434320
-0.00006381 0.00081701 -0.00032869
-0.00226280 -0.00657911 0.00196167
-10.83387873 -5.66057487 3.53099027
0.00036291 -0.00116688 0.00033953
0.00306962 0.00052771 -0.00155602
-10.21106991 -2.82331102 3.62131528
-0.00076192 0.00063144 0.00003135
0.01451844 0.01048166 -0.00169474
5.36072788 -2.45177214 8.74477891
-0.00051916 -0.00074236 -0.00098174
0.01755710 0.03254727 -0.01455141
4.59210705 -3.52181548 11.22843507
0.00084889 -0.00023954 -0.00017996
-0.00358323 -0.00117150 0.01129790
-33.32578702 -1.97870271 -0.80388988
-0.00012172 0.00075906 -0.00001824
-0.00606005 -0.00455447 0.00382343
-32.59121924 0.60618814 0.20957293
-0.00008332 -0.00101671 0.00080887
0.00151437 -0.00535096 -0.00309566
14.76137115 12.90189509 -15.94909319
-0.00058107 -0.00046476 0.00092619
0.00604899 -0.00771600 0.04574599
16.49839114 11.98323745 -13.61575271
-0.00037952 -0.00041248 0.00104422
0.05063197 -0.01824381 0.00488522
-8.52934505 7.03746136 1.28503180
-0.00071007 0.00011503 -0.00025410
0.00266158 0.00003076 0.00892296
-7.30190881 4.54122516 1.25245914
-0.00047013 -0.00087176 -0.00074340
0.00223155 0.00814867 0.01224734
6.08998038 12.39807845 -6.75808981
0.00054236 -0.00035932 0.00041357
-0.00000915 0.00374504 -0.00776712
8.94263927 13.66092028 -6.46290141
-0.00011063 -0.00025264 -0.00058662
-0.02170953 -0.00825294 0.00760344
8.77171347 8.98378529 -20.62022982
-0.00096709 -0.00047709 0.00033939
-0.00543534 -0.00968804 -0.01517810
10.62119709 10.52328363 -19.12684150
-0.00019519 0.00179365 -0.00041321
-0.00488760 0.00393484 0.00447731
24.14095250 15.75385058 -2.69422881
-0.00076545 0.00018261 0.00017228
-0.00723313 0.00879115 0.00945060
24.68941830 18.53923660 -2.38027480
0.00116409 -0.00139362 -0.00042658
-0.00118116 0.00938738 0.00432470
1.63221223 17.13091862 -21.12347611
-0.00065379 -0.00134426 0.00041818
0.01455741 -0.00605121 0.03114229
2.81229255 15.11434034 -19.11886065
-0.00068110 -0.00069524 0.00004453
0.00871021 0.01288261 -0.00399764
12.89659982 -1.24818806 -6.82441948
-0.00014434 0.00194547 -0.00015088
0.01561555 -0.00545991 0.00744552
12.98150474 -1.18344123 -3.93574437
0.00088056 -0.00070398 0.00053618
0.00128276 0.00322133 0.01022343
-17.43543268 -2.91827348 3.45503221
0.00061178 0.00009629 -0.00054489
-0.02078612 -0.03542517 0.00147845
-14.42322372 -2.50273450 3.32575166
0.00004700 -0.00017634 0.00100884
-0.01230368 -0.01280638 -0.00264474
-16.20796598 -0.16353064 19.81014062
0.00076450 -0.00070006 0.00000488
0.00006758 0.00811758 0.01110275
-15.65784701 -2.97669522 19.42208899
-0.00023087 0.00027284 -0.00035108
0.02344545 -0.01799179 0.00756723
-0.74521989 0.59347363 -5.17367991
-0.00018136 0.00043592 -0.00042156
-0.01618217 -0.00350761 0.00543393
-0.78128266 3.60505157 -4.83310522
-0.00012019 0.00010658 -0.00029568
0.00006006 -0.01870895 -0.00441632
23.31625842 -8.73338866 -9.29165645
0.00001951 -0.00114309 -0.00042878
0.00101728 -0.00318063 0.00362174
23.64312331 -5.89031228 -8.43719986
-0.00000246 0.00114508 -0.00031127
-0.00625573 -0.01080840 -0.00441664
0.53741288 -5.91749938 5.78076699
-0.00015700 0.00043308 0.00020902
-0.00560989 -0.00086045 0.01215748
-0.33508241 -5.14721452 8.51996237
0.00076511 0.00031952 -0.00030338
0.00603797 -0.00137028 0.00234643
-1.02926654 -3.06521557 -18.69788890
-0.00005907 -0.00033999 -0.00025685
-0.01157208 0.03435925 -0.01227399
-3.15275019 -2.09902087 -20.39506814
0.00041528 -0.00051208 -0.00061186
-0.01195762 0.00161535 -0.00628382
2.82299718 2.39336566 -11.03415521
-0.00031199 -0.00082296 0.00084955
0.00188170 0.00580966 -0.00227293
1.81432725 2.57050578 -8.22033506
0.00031307 0.00075137 -0.00017671
0.02114108 -0.00517581 -0.00295688
-2.41199572 16.88156302 12.69944060
0.00022191 -0.00063158 -0.00012855
0.02036332 -0.02654711 -0.00089769
-3.48407061 19.32337080 13.42370798
0.00033424 0.00093638 0.00015932
-0.00792956 -0.00154778 0.00007783
-4.43317156 6.40411702 -12.38033566
-0.00021535 -0.00071233 0.00097870
0.01889124 -0.03796774 0.01820378
-2.91800970 3.50980248 -12.13943846
-0.00055387 0.00094134 -0.00020344
-0.02944600 0.03706185 0.00636456
-7.73630287 2.27975276 -7.48490321
-0.00042518 -0.00023510 0.00007048
-0.00020944 -0.01227061 0.01560821
-6.36439242 3.76852576 -9.50546964
0.00069952 -0.00037534 0.00024140
-0.04530923 -0.00961525 0.00371221
2.01723855 28.23815973 6.93630192
0.00039291 0.00037787 0.00008457
0.00423318 0.01600306 -0.02711534
0.29070772 27.61456008 9.10356732
0.00010765 0.00063809 0.00011907
0.01825133 0.00112732 -0.00546606
10.86461897 -6.96096625 -0.49129096
-0.00051768 -0.00089482 -0.00067035
-0.01167370 0.00440657 -0.01813733
8.76094447 -7.42074043 -2.58755131
-0.00007914 0.00037364 -0.00063961
0.00794119 0.00379520 0.00766619
-6.98222686 0.22147398 6.31107978
-0.00004634 0.00009396 -0.00000553
-0.01660121 0.00544054 -0.00198738
-9.59209892 -0.68595599 6.86426085
0.00156110 0.00011523 -0.00061700
-0.00949595 0.00357562 0.00275441
21.64321072 10.27839996 10.09201248
0.00031897 -0.00079017 -0.00075685
0.00876556 -0.00543381 0.01363632
20.83606905 12.51025491 8.46670727
0.00029019 -0.00084534 -0.00065324
-0.00692216 -0.01784886 0.00186787
-1.60632675 -3.26259434 -26.24251489
0.00048962 -0.00123873 -0.00053990
0.01390973 -0.02075771 0.01859165
-4.34719393 -2.24442713 -26.55608602
-0.00075600 0.00020586 -0.00036824
-0.00994607 -0.00092349 0.00763125
-14.34771693 7.17464819 8.95578157
0.00027112 0.00049995 0.00003080
-0.00077229 -0.00014251 0.00195258
-14.85649983 7.21312899 6.19043589
-0.00123243 0.00051388 0.00085105
0.00066556 -0.00059301 -0.00350345
-11.20314064 6.67560931 -3.65634137
-0.00006710 0.00049353 0.00035211
-0.01105846 0.00586795 -0.01519440
-8.70105745 8.26588516 -3.60884708
0.00009001 0.00043806 -0.00027153
0.00431574 0.00737848 -0.01740088
-1.07917030 -17.47660065 23.45181895
-0.00029938 0.00039009 0.00004161
-0.01422939 0.00506460 0.00484509
-3.59361385 -15.65612526 24.53651418
0.00020778 0.00003574 -0.00030100
0.05858687 -0.01642226 -0.02388220
-3.02718586 5.59193711 -8.07589453
0.00079004 0.00019244 -0.00041480
0.00645198 0.01651191 0.01703226
-3.75700204 7.83263197 -6.17263642
-0.00033017 0.00046535 -0.00023775
0.00547093 -0.02241265 -0.00406719
-21.17839244 30.52635818 3.08803112
0.00059110 0.00067516 -0.00060014
-0.02846931 -0.01865502 -0.02087029
-21.34691682 32.30913246 5.37792619
0.00072991 -0.00108537 -0.00008453
-0.00216369 -0.01412836 -0.00054918
6.99012621 -0.28304843 6.27610726
0.00034196 0.00093609 0.00034537
0.00361214 0.01197245 0.01423265
7.33553811 1.78295148 8.53625995
0.00044447 0.00060495 -0.00125821
-0.00318804 -0.00391225 -0.01296343
6.67441514 12.77320412 -13.55170440
0.00045009 0.00051761 -0.00088997
0.00197180 -0.01656089 -0.00398694
4.46359227 12.12405922 -15.04463362
0.00049819 -0.00086864 0.00118977
-0.02492581 0.00893931 -0.02420422
14.49616755 3.97867813 -2.93065526
-0.00015712 -0.00069720 -0.00078529
-0.00029413 0.00920410 0.00134766
15.21205512 1.40030640 -1.99584332
-0.00014449 0.00012134 0.00030615
-0.00271361 -0.02639032 -0.00084023
-2.45938553 13.51406946 -0.53339466
-0.00004989 0.00002470 -0.00004830
0.00406920 -0.00615842 0.01042851
-5.39591713 13.02785628 0.11863188
-0.00034610 -0.00063011 0.00060955
0.00378538 -0.00232626 0.01258188
3.79993682 11.03582301 3.53906642
-0.00029796 -0.00147167 -0.00020887
-0.01849362 -0.04085090 0.00749022
6.39163095 12.32377792 3.62323637
-0.00017813 -0.00024091 -0.00028545
-0.02408497 0.00189160 -0.01087040
25.28086295 -13.34041650 -8.71825330
0.00040216 0.00043135 0.00044471
-0.01009490 0.00502246 0.00512190
26.02694518 -11.62004819 -10.84089041
0.00093889 0.00012607 0.00028396
0.02755248 0.00645386 -0.04203547
14.69357935 -4.05776749 -0.95373164
0.00051315 -0.00038866 -0.00003121
0.00529820 0.00499025 0.00494723
17.16987851 -5.46753314 -0.82489754
0.00002955 -0.00040164 -0.00032163
0.01290037 -0.02916478 -0.00592822
11.91533791 8.07182674 11.45272678
0.00118304 -0.00035725 -0.00004385
0.00869974 -0.00919931 -0.00580851
12.88963499 9.56468779 9.20721163
0.00069045 -0.00001989 0.00002161
0.00885781 0.01278938 -0.00765327
0.00180758 -14.44252032 17.04038999
-0.00051746 -0.00020346 0.00015034
0.01074445 0.01508759 0.00583523
1.75639061 -12.08222334 18.25016983
-0.00006040 -0.00089493 0.00000906
-0.01268319 -0.00746328 -0.00615297
-4.09751681 -2.13154901 -13.57093290
0.00065720 -0.00078010 0.00006630
0.00658507 -0.03143830 0.02039716
-3.11442346 -0.54642658 -15.87824615
-0.00096639 0.00035490 0.00082644
-0.01063956 -0.00976616 0.00630417
14.38604755 -8.07836725 -10.78789308
-0.00110276 0.00018122 0.00149992
0.00202128 -0.01517323 0.00518122
15.97779196 -6.46675309 -9.16472641
0.00110027 0.00128732 -0.00049375
0.00403891 -0.01305704 0.00999869
7.26239013 -5.82085212 9.32714239
-0.00065058 0.00032080 0.00059290
0.01167831 0.00468617 -0.01823675
9.35455522 -5.64932590 7.20017236
0.00015009 -0.00044421 -0.00004757
0.00340758 0.01700477 -0.01875930
-20.94319842 2.22780366 20.77394721
-0.00063097 -0.00093260 -0.00044442
-0.01224764 -0.00493637 0.03033068
-21.76426499 0.58540946 23.19514432
0.00030171 0.00031408 -0.00001934
-0.00717263 -0.00383397 0.00032418
26.38942993 -2.89720862 -6.09745476
0.00028261 -0.00021042 -0.00033456
0.00589135 -0.00125721 0.00207622
25.17949428 -1.44139702 -8.18038114
-0.00024903 -0.00026034 -0.00000413
0.00847362 -0.01493490 -0.00382949
9.00842823 -15.78899054 -7.59047163
-0.00055619 -0.00040560 0.00007212
0.00841574 -0.00260435 -0.00230134
8.60474862 -12.88943133 -7.14146034
0.00021220 0.00004060 -0.00006657
0.01382900 -0.00663561 0.00012722
-5.56854730 -11.03768577 17.90697426
-0.00017707 -0.00011448 0.00065816
0.00907216 0.01790763 0.01275849
-7.22321680 -11.15719066 15.49716737
-0.00096468 -0.00048011 0.00005162
0.01190798 -0.00222585 0.00371984
9.33858214 2.03716741 -29.47751100
-0.00130722 -0.00155319 0.00040426
0.00686071 -0.01411350 -0.00905540
6.81295850 3.20405820 -30.68093969
0.00008734 0.00039042 0.00047053
0.01439474 -0.00966784 0.01920444
12.58188875 14.82919913 14.69168727
0.00028215 0.00058968 -0.00049932
-0.00580954 0.00319211 -0.01739632
11.28385746 16.04077158 16.84288702
-0.00035817 -0.00049377 0.00015605
0.00140282 0.01902818 0.05346421
29.01579521 5.03414506 -4.52726059
0.00083501 -0.00035017 -0.00009920
0.00521481 -0.00001511 0.01126642
26.80313011 6.57170260 -3.59353103
0.00056838 -0.00050302 -0.00057878
0.01323520 0.00246994 0.01444256
-9.96466505 4.90723597 6.91336917
0.00003701 -0.00008946 -0.00018959
0.00051913 -0.00566504 -0.00734123
-8.67109579 13.25195348 2.58728087
-0.00004126 0.00007750 0.00003327
-0.00025709 -0.00131529 -0.00431914
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09491469
0.33033378
440.15319831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4050919555 (a.u.)
total exchange computation time: 2.5639610291 s
-154.2455672764
-931.42835031
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4044618047 (a.u.)
total exchange computation time: 2.5639770031 s
-154.2517168720
Anderson extrapolation: theta=1.3815530324 (1.3815530324)
-931.42856621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4034725546 (a.u.)
total exchange computation time: 2.5626108646 s
-154.2609977042
Anderson extrapolation: theta=0.0661633602 (0.0661633602)
-931.42870136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4033156970 (a.u.)
total exchange computation time: 2.5620961189 s
-154.2622447712
Anderson extrapolation: theta=2.3201980578 (2.0000000000)
-931.42870887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4029767185 (a.u.)
total exchange computation time: 2.5643768311 s
-154.2648304311
Anderson extrapolation: theta=0.4105746432 (0.4105746432)
-931.42871877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4028424000 (a.u.)
total exchange computation time: 2.5616109371 s
-154.2657579095
Anderson extrapolation: theta=1.0132910360 (1.0132910360)
-931.42872161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4027347270 (a.u.)
total exchange computation time: 2.5633900166 s
-154.2664014454
Anderson extrapolation: theta=0.5124540122 (0.5124540122)
-931.42872372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4027103724 (a.u.)
total exchange computation time: 2.5622599125 s
-154.2664404655
Anderson extrapolation: theta=0.7456669891 (0.7456669891)
-931.42872458
-115.903187 23.443428 142.692148
559.304791 1032.066151 -412.728733
443.401603 1055.509579 -270.036585
1176.275992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331530557
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4027162649 (a.u.)
total exchange computation time: 2.6143119335 s
679.43124296
-1084.58882364
89.68895055
-388.61977078
-174.93760789
78.71032274
551.60419304
0.00000000
-931.42872505
3.91267329 -30.74507546 -2.27309795
0.00005918 0.00007241 0.00003024
0.00468075 -0.01884228 -0.00771288
-11.74715406 -2.09422619 -9.16919550
0.00036346 0.00040767 -0.00008748
0.01033555 0.01858418 0.02048369
-37.44724320 2.46249884 -0.04597745
-0.00001803 0.00003535 0.00019122
-0.01262381 -0.00652165 0.01041258
-11.56400604 -3.99197210 3.83609091
-0.00025301 -0.00005612 -0.00005072
-0.00722090 -0.01708680 0.00605561
4.55456740 -3.86662186 9.43863550
-0.00038948 -0.00003527 -0.00027049
-0.01885778 -0.03689446 0.00962580
-31.88627600 -0.87135864 -0.61777637
-0.00001458 0.00066041 0.00021997
-0.01589717 0.00489019 0.00353149
14.90807903 12.59026039 -14.00887682
-0.00050174 0.00010934 0.00000659
-0.05232228 0.02204050 -0.04304157
-7.70570265 5.91040572 2.49293777
0.00004615 0.00032188 0.00029011
-0.00197232 -0.01232586 -0.02657323
7.49895843 12.58048545 -5.62435933
0.00024297 0.00014230 -0.00033756
0.01449334 0.00193088 -0.00268511
8.89850692 9.83072658 -19.04189934
-0.00011957 0.00005221 0.00009218
0.01169171 0.00574795 0.00913114
23.31393816 17.34662700 -2.11987926
0.00022085 -0.00019585 -0.00003585
-0.00760571 0.00250515 -0.00569759
2.27332373 16.90772102 -19.28851479
0.00005840 0.00007304 -0.00056744
-0.02386119 -0.00439672 -0.02286909
14.07386127 -1.38907671 -5.37276055
-0.00016292 0.00027573 -0.00025823
-0.01411348 0.00298290 -0.02836827
-16.11455212 -1.75778043 3.23221326
0.00001107 0.00054518 -0.00020075
0.03581556 0.04634751 0.00636063
-16.95672059 -1.77987875 19.34531065
0.00020833 -0.00021369 -0.00038204
-0.02254148 0.00979423 -0.01577488
0.29703407 2.09353248 -5.08775602
0.00024126 -0.00023453 0.00023119
0.00912377 0.02984752 -0.00129870
22.41303345 -7.18685548 -8.95743220
0.00037621 0.00000890 0.00012281
0.00899200 0.01481107 0.00683931
-0.50628447 -6.43229969 7.24868776
-0.00025707 -0.00003778 0.00000839
-0.00025251 -0.00132891 -0.01290185
-1.85190943 -1.43379359 -19.29725534
0.00020930 0.00026053 -0.00001481
0.01987877 -0.04249547 0.01601933
3.33500976 2.20169031 -9.29245279
-0.00020702 -0.00022249 -0.00008091
-0.01502684 -0.00190852 0.01438865
-3.73357308 17.98646313 12.17934402
-0.00026436 -0.00023551 0.00016256
-0.01354372 0.02741292 0.00420011
-3.77141889 4.98928069 -11.24957215
-0.00025123 0.00001352 0.00030519
0.01168615 -0.00403281 -0.02626167
-8.13493994 3.18436963 -8.97899732
0.00024258 -0.00029319 -0.00004930
0.04179544 0.01961860 -0.01922973
2.02202007 27.33836287 8.47642114
0.00047893 0.00009504 0.00021529
-0.02693411 -0.01379731 0.03257623
9.99194009 -6.19006344 -1.97762850
-0.00026722 -0.00002419 0.00018680
0.00534883 -0.00595825 0.01273825
-8.79755186 0.64754507 5.91277686
0.00000130 0.00023714 0.00018688
0.01963196 -0.00229882 -0.00202155
20.41382104 10.69816343 8.84302576
-0.00013037 0.00025952 0.00014262
-0.00232901 0.02310773 -0.01834505
-2.64454545 -2.15448184 -27.17003824
0.00058747 0.00008869 -0.00010077
-0.00541159 0.01894449 -0.02353323
-14.29842098 6.07610117 7.51095048
-0.00000155 0.00002456 0.00027131
-0.00019654 0.00164028 0.00002924
-9.82029576 7.22059365 -2.65347587
0.00040663 0.00012330 0.00020149
0.00529777 -0.01073778 0.03124667
-1.71472521 -15.77098755 23.92713192
-0.00014859 0.00021807 -0.00050008
-0.04321935 0.01831815 0.01840795
-2.59932822 6.34301128 -6.39827189
-0.00003192 -0.00015587 0.00020278
-0.01678924 0.01342068 -0.01050148
-20.25292067 31.09353514 4.50760351
0.00041300 0.00003880 -0.00026562
0.01465405 0.00956621 0.02430988
7.57735018 0.02819684 8.05505126
0.00003627 -0.00004671 -0.00025940
-0.00084688 0.00087057 -0.00686298
5.53339375 11.31864237 -13.89414190
0.00010455 0.00030574 0.00011801
0.04004311 0.00186115 0.04474161
15.75697715 3.08163024 -1.96821896
-0.00037753 -0.00044809 0.00000966
0.00849265 0.02630803 0.00526486
-4.16541206 13.60564178 -1.10020404
-0.00024766 -0.00007885 0.00034156
-0.00763203 -0.00298407 -0.02430080
4.54830033 12.62187504 3.27999785
0.00013302 -0.00029161 -0.00015485
0.04138045 0.02911147 -0.00809387
24.83763806 -11.76624137 -9.55142716
0.00010281 0.00019725 -0.00025135
-0.01456712 -0.01236378 0.02821237
16.41755905 -3.90599453 -0.39378530
-0.00000914 0.00029589 -0.00010529
-0.00158095 0.02439816 0.00324307
12.94635392 7.89152961 9.90576336
-0.00004139 0.00013917 0.00036526
-0.00693328 -0.00098001 0.01271204
1.65915301 -13.82362521 17.68240170
-0.00023537 -0.00011192 -0.00001490
0.00928769 -0.01552371 -0.00277468
-4.38947705 -0.67816426 -14.52469137
0.00028589 -0.00007948 0.00020431
0.00832045 0.03560291 -0.01665731
15.03942830 -8.10122382 -9.03468966
0.00014991 0.00033470 0.00006788
0.00284906 0.03142517 -0.01115359
8.77203244 -6.64424922 8.56685302
-0.00036514 -0.00049500 0.00025431
-0.01819248 -0.01771109 0.03529406
-21.34561188 2.27197880 22.64151426
0.00005548 0.00010167 0.00030996
0.02038821 0.01175484 -0.03696001
25.83037641 -3.17155424 -7.83077629
-0.00014814 -0.00018175 -0.00033981
-0.01291596 0.02211136 0.00469523
9.83590307 -14.14491881 -7.73569546
0.00002095 0.00006602 -0.00034168
-0.01219214 0.01450768 -0.00316026
-6.35935186 -12.18553888 16.77099961
-0.00046587 -0.00044513 0.00019582
-0.01054569 -0.00669470 -0.01178006
8.23317076 3.45337850 -29.45788655
-0.00014773 0.00010013 0.00018005
-0.02960168 0.00650984 -0.01057219
10.89433047 15.57827666 15.20196309
-0.00025550 -0.00035231 0.00029427
0.00878345 -0.02153133 -0.04037299
28.53726796 6.04067477 -3.04138817
0.00010316 -0.00003170 -0.00019227
-0.02148532 0.01099599 -0.03427122
5.34094326 -31.25724153 -3.35926517
0.00006706 0.00050528 0.00031115
-0.00281008 -0.00149482 0.00696758
3.93302038 -31.67148708 -0.69522179
-0.00040128 -0.00008906 -0.00045249
0.00820365 0.00345900 0.00229184
-11.66144893 -3.80343547 -8.55809295
0.00003262 -0.00016843 -0.00039662
-0.00241531 -0.01406666 0.00164903
-12.63705882 -2.12180866 -10.70550810
-0.00025005 0.00020407 0.00019973
-0.01079779 0.00245552 -0.02354193
-38.95924691 2.14050473 1.00307679
-0.00077128 -0.00018183 0.00010991
0.01830632 0.00147453 -0.01013972
-37.75168720 4.09659531 -0.93921348
-0.00007193 0.00078051 -0.00031557
-0.00171072 -0.01128751 0.00446142
-10.82834102 -5.67806193 3.53603550
0.00037061 -0.00114941 0.00033495
0.00069945 0.00802748 -0.00068612
-10.22205383 -2.81351822 3.62173357
-0.00070311 0.00067170 0.00002427
0.01427043 0.00922609 -0.00176861
5.35347846 -2.46191025 8.72960691
-0.00044557 -0.00060555 -0.00104298
0.01846804 0.03442465 -0.01542640
4.60473053 -3.52544444 11.22608192
0.00083391 -0.00024351 -0.00013535
-0.00374578 -0.00077080 0.01053888
-33.32779858 -1.96745632 -0.80404636
-0.00014487 0.00073974 -0.00000304
-0.00526877 -0.00490580 0.00361747
-32.59242266 0.59077349 0.22161108
-0.00008203 -0.00102406 0.00080327
-0.00088384 0.00175489 0.00035637
14.75284045 12.89468719 -15.93379849
-0.00055535 -0.00049503 0.00110454
0.00653931 -0.00710064 0.04155334
16.49424985 11.97649119 -13.59993975
-0.00018475 -0.00048222 0.00106057
0.04471109 -0.01589391 0.00311948
-8.53991450 7.03918779 1.28149374
-0.00069551 0.00011055 -0.00021264
0.00446451 -0.00222650 0.01137057
-7.30889238 4.52839850 1.24168348
-0.00046384 -0.00082604 -0.00068304
0.00084716 0.01423161 0.01729632
6.09811552 12.39280334 -6.75212421
0.00053409 -0.00034499 0.00037546
-0.00403866 0.00327404 -0.01089020
8.94031452 13.65687779 -6.47146769
-0.00019711 -0.00028498 -0.00055623
-0.02062355 -0.00757734 0.00727038
8.75704062 8.97633201 -20.61560409
-0.00098711 -0.00051485 0.00027982
-0.00436838 -0.00879476 -0.01398166
10.61811951 10.55030897 -19.13290245
-0.00022233 0.00180485 -0.00039640
-0.00839674 0.00154753 0.00375102
24.12924910 15.75685908 -2.69135498
-0.00079206 0.00020983 0.00020759
-0.00579156 0.00453410 0.00783251
24.70684351 18.51862002 -2.38654091
0.00115807 -0.00135357 -0.00040772
-0.00176641 0.01021489 0.00490632
1.62285142 17.11056929 -21.11624910
-0.00059561 -0.00136535 0.00053865
0.01392392 -0.00427248 0.02782604
2.80234301 15.10430651 -19.11831527
-0.00064604 -0.00063647 0.00002836
0.00845098 0.01588308 -0.00391759
12.89491320 -1.21917333 -6.82645452
-0.00008136 0.00192164 -0.00011891
0.01521575 -0.00620362 0.00820153
12.99475244 -1.19390216 -3.92738847
0.00088394 -0.00069024 0.00057765
0.00037093 0.00350370 0.01007988
-17.42689286 -2.91791471 3.44690421
0.00052406 -0.00004897 -0.00053876
-0.02215550 -0.03567725 0.00152045
-14.42289571 -2.50577203 3.34080326
-0.00000692 -0.00022524 0.00099698
-0.01409109 -0.01113213 -0.00316383
-16.19649646 -0.17378280 19.81055402
0.00076369 -0.00066460 0.00005073
-0.00046352 0.00924158 0.01134361
-15.66059164 -2.97315395 19.41705468
-0.00012698 0.00019032 -0.00031984
0.02740770 -0.02240226 0.00772275
-0.74843612 0.59990490 -5.17983673
-0.00024891 0.00041711 -0.00039939
-0.01688356 -0.00569780 0.00541512
-0.78308369 3.60607694 -4.83767574
-0.00011637 0.00002679 -0.00031391
0.00180991 -0.02034587 -0.00450825
23.31658225 -8.75063253 -9.29797713
0.00001923 -0.00114286 -0.00041061
-0.00115229 0.00329318 0.00527049
23.64289477 -5.87346724 -8.44200432
-0.00002915 0.00109477 -0.00033075
-0.00681323 -0.01381763 -0.00511804
0.53488605 -5.91102951 5.78427490
-0.00018024 0.00042787 0.00025766
-0.00577094 -0.00169233 0.01165202
-0.32342079 -5.14246378 8.51548358
0.00078865 0.00031168 -0.00029388
0.00548656 -0.00246550 0.00230426
-1.03050716 -3.06926260 -18.70211772
-0.00010612 -0.00019655 -0.00030668
-0.01145883 0.03585775 -0.01211966
-3.14688745 -2.10665255 -20.40443867
0.00037139 -0.00050127 -0.00063313
-0.00952387 0.00367674 -0.00412642
2.81837495 2.38119931 -11.02148154
-0.00030767 -0.00079795 0.00082613
0.00023609 0.00643185 -0.00919108
1.81967108 2.58161777 -8.22307629
0.00039689 0.00072982 -0.00018667
0.01988974 -0.00537382 -0.00192077
-2.40804314 16.87127583 12.69748486
0.00029933 -0.00073378 -0.00013379
0.01753516 -0.02348019 -0.00166584
-3.47930004 19.33736909 13.42610013
0.00030096 0.00091888 0.00015167
-0.00835864 -0.00701695 -0.00382211
-4.43582294 6.39226855 -12.36509729
-0.00014256 -0.00085841 0.00104685
0.01674195 -0.03353591 0.01515603
-2.92722008 3.52505832 -12.14229503
-0.00067040 0.00108596 -0.00017945
-0.02759490 0.03373032 0.00537903
-7.74268703 2.27585029 -7.48336771
-0.00042550 -0.00028506 0.00013469
0.00005371 -0.01218398 0.01582351
-6.35528806 3.76260109 -9.50173494
0.00051199 -0.00041555 0.00025751
-0.04648754 -0.01007099 0.00417434
2.02326191 28.24431821 6.93673950
0.00041055 0.00043996 -0.00002156
0.00439947 0.01438956 -0.02483597
0.29288172 27.62416595 9.10518592
0.00018690 0.00064128 0.00009551
0.02054527 0.00043419 -0.00606646
10.85649599 -6.97425347 -0.50190205
-0.00056262 -0.00087799 -0.00073958
-0.01032235 0.00383081 -0.01575000
8.76000064 -7.41501954 -2.59691047
-0.00004827 0.00038779 -0.00060901
0.00717068 0.00313016 0.00730977
-6.98343064 0.22305003 6.31093590
-0.00011227 0.00011780 -0.00001455
-0.01567433 0.00623093 -0.00242494
-9.56897346 -0.68411803 6.85509032
0.00151279 0.00011769 -0.00059702
-0.01414929 -0.00237104 0.00702365
21.64826391 10.26638091 10.08107766
0.00035525 -0.00081144 -0.00070099
0.00899097 -0.00497818 0.01370564
20.84020985 12.49702792 8.45696597
0.00026407 -0.00090892 -0.00064600
-0.00586845 -0.01327568 0.00167558
-1.59855617 -3.28181131 -26.25004371
0.00053970 -0.00131686 -0.00046889
0.01060147 -0.01749028 0.01616680
-4.35883878 -2.24136750 -26.56137584
-0.00077776 0.00020220 -0.00034317
-0.00070486 -0.00086789 0.00464142
-14.34367377 7.18214307 8.95630342
0.00026879 0.00049762 0.00003922
-0.00036724 -0.00099600 0.00216844
-14.87496587 7.22081907 6.20309435
-0.00122799 0.00050783 0.00083823
0.00150647 -0.00237098 -0.00277494
-11.20448602 6.68319212 -3.65152537
-0.00010988 0.00051836 0.00029238
-0.00988319 0.00628287 -0.01404040
-8.69957505 8.27268209 -3.61345320
0.00010553 0.00046580 -0.00034003
0.00328083 0.00620467 -0.01613172
-1.08409707 -17.47059411 23.45259154
-0.00035556 0.00040687 0.00006009
-0.01327045 0.00314764 0.00420240
-3.58870187 -15.65609245 24.53126737
0.00044331 -0.00003064 -0.00039764
0.05670801 -0.01606943 -0.02342440
-3.01513759 5.59532968 -8.08159458
0.00081624 0.00026051 -0.00034294
0.00637375 0.01681072 0.01814380
-3.76178694 7.83892547 -6.17632731
-0.00030417 0.00036869 -0.00025467
0.00725558 -0.02490313 -0.00421539
-21.17039836 30.53591394 3.07838947
0.00047531 0.00059869 -0.00068489
-0.02820752 -0.01877913 -0.02061371
-21.33603450 32.29241901 5.37664135
0.00071389 -0.00113411 -0.00008103
-0.00567846 -0.00973302 0.00226679
6.99536636 -0.26864015 6.28172396
0.00035435 0.00098133 0.00039488
0.00245195 0.01017258 0.01000112
7.34210743 1.79190578 8.51698957
0.00043252 0.00058464 -0.00130999
-0.00266227 -0.00602931 -0.01238552
6.68122689 12.78046085 -13.56517617
0.00045765 0.00044892 -0.00090587
0.00173025 -0.01706566 -0.00379617
4.47030135 12.11130358 -15.02752874
0.00037839 -0.00082001 0.00107225
-0.03371855 0.01486201 -0.03332370
14.49380175 3.96850219 -2.94239328
-0.00015642 -0.00066056 -0.00077811
0.00063548 0.00873298 0.00216386
15.20980466 1.40131784 -1.99127687
-0.00015887 0.00000310 0.00030291
-0.00432563 -0.03149122 -0.00074274
-2.46000920 13.51425122 -0.53379953
-0.00003437 -0.00000063 -0.00000588
0.00352959 -0.00623993 0.01033226
-5.40099264 13.01833336 0.12816072
-0.00032642 -0.00063739 0.00065698
0.00584822 -0.00123865 0.01063552
3.79490070 11.01249616 3.53616284
-0.00036388 -0.00161822 -0.00018083
-0.01377216 -0.03088731 0.00623662
6.38822104 12.32022218 3.61862157
-0.00027237 -0.00023378 -0.00032897
-0.02204780 0.00160095 -0.01043370
25.28658608 -13.33379236 -8.71142569
0.00035980 0.00045417 0.00046466
-0.01064390 0.00614691 0.00464161
26.04187278 -11.61795941 -10.83791917
0.00104838 0.00015246 0.00011589
0.02604700 0.00646494 -0.04023325
14.70143898 -4.06344440 -0.95404821
0.00052636 -0.00036811 -0.00001288
0.00116536 0.00506597 0.00402649
17.17071701 -5.47445139 -0.82990368
0.00007796 -0.00050983 -0.00034226
0.01079614 -0.02379510 -0.00416940
11.93335003 8.06618606 11.45189100
0.00121044 -0.00039219 -0.00005690
0.00471537 -0.00790144 -0.00057788
12.90026318 9.56478133 9.20730125
0.00072564 0.00003263 -0.00000857
0.00836870 0.01291835 -0.00712188
-0.00562513 -14.44510992 17.04282389
-0.00047160 -0.00014126 0.00017482
0.01170451 0.01536227 0.00614608
1.75509599 -12.09587604 18.25011715
-0.00011178 -0.00091419 -0.00001247
-0.01246839 -0.00196362 -0.00438727
-4.08745700 -2.14421390 -13.56931334
0.00068205 -0.00089848 0.00014285
0.00557579 -0.02650729 0.01707390
-3.12924532 -0.54140232 -15.86565635
-0.00099685 0.00031600 0.00083928
-0.00427255 -0.00927868 -0.00001744
14.36956809 -8.07611395 -10.76523548
-0.00109736 0.00012059 0.00151038
0.00062284 -0.01450597 -0.00006015
15.99441984 -6.44784343 -9.17182620
0.00110976 0.00122235 -0.00045320
0.00060582 -0.01874763 0.00984859
7.25298923 -5.81589650 9.33547700
-0.00059658 0.00033613 0.00051434
0.01475532 0.00281654 -0.02021869
9.35691105 -5.65546804 7.19888400
0.00016116 -0.00037904 -0.00011780
0.00200752 0.01489962 -0.01561871
-20.95303835 2.21366340 20.76821039
-0.00068148 -0.00095031 -0.00031478
-0.01247405 -0.00373537 0.03312915
-21.75995918 0.59000324 23.19486408
0.00027090 0.00029352 -0.00001487
-0.00790609 -0.00623207 0.00186544
26.39384957 -2.90040338 -6.10240961
0.00030587 -0.00021593 -0.00032792
0.00549734 -0.00144416 0.00117650
25.17601849 -1.44575972 -8.18056042
-0.00021511 -0.00031980 -0.00002030
0.00813044 -0.01417066 -0.00408703
9.00034333 -15.79515440 -7.58946032
-0.00051647 -0.00040742 0.00006172
0.01102464 0.00171462 -0.00278879
8.60835544 -12.88902559 -7.14245506
0.00026809 0.00001448 -0.00006586
0.01352629 -0.00615417 0.00022263
-5.57092536 -11.03885428 17.91723767
-0.00014544 -0.00004812 0.00070248
0.00641270 0.01457854 0.00893290
-7.23732205 -11.16446059 15.49805561
-0.00091363 -0.00049075 0.00007020
0.01308208 -0.00297788 0.00537546
9.31918401 2.01343701 -29.47172458
-0.00128514 -0.00160209 0.00036824
0.00394814 -0.00982166 -0.00857907
6.81470975 3.20961825 -30.67329319
0.00014142 0.00035091 0.00054520
0.01207731 -0.00967063 0.01734286
12.58594298 14.83814214 14.68366442
0.00025630 0.00060340 -0.00056800
-0.00684350 0.00352264 -0.01622312
11.27852791 16.03394815 16.84686615
-0.00035159 -0.00041601 0.00037571
0.00181664 0.01903361 0.05405900
29.02848015 5.02889198 -4.52840329
0.00085497 -0.00034838 -0.00005035
0.00455581 0.00089519 0.01264336
26.81206139 6.56423299 -3.60177024
0.00061727 -0.00049144 -0.00052089
0.01069802 0.00319909 0.01389560
-9.96410857 4.90587880 6.91050560
0.00003718 -0.00009141 -0.00019221
0.00044993 -0.00522840 -0.00728985
-8.67171515 13.25311375 2.58777247
-0.00004135 0.00007720 0.00003227
-0.00049498 -0.00127215 -0.00434078
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09493380
0.33379126
444.76011855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4013861473 (a.u.)
total exchange computation time: 2.6027228832 s
-154.2332646668
-931.43116831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4008234790 (a.u.)
total exchange computation time: 2.6040289402 s
-154.2389936150
Anderson extrapolation: theta=1.3521710726 (1.3521710726)
-931.43136976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3999458762 (a.u.)
total exchange computation time: 2.6025280952 s
-154.2475938860
Anderson extrapolation: theta=0.0541219429 (0.0541219429)
-931.43148986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3998072591 (a.u.)
total exchange computation time: 2.6025059223 s
-154.2487542014
Anderson extrapolation: theta=2.0299037523 (2.0000000000)
-931.43149459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3995051340 (a.u.)
total exchange computation time: 2.6025061607 s
-154.2511959672
Anderson extrapolation: theta=0.2506804815 (0.2506804815)
-931.43149972
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3994256511 (a.u.)
total exchange computation time: 2.6035099030 s
-154.2517660590
Anderson extrapolation: theta=1.7780992196 (1.7780992196)
-931.43150079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3993102478 (a.u.)
total exchange computation time: 2.6007759571 s
-154.2525189190
Anderson extrapolation: theta=0.3155941046 (0.3155941046)
-931.43150202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3993003422 (a.u.)
total exchange computation time: 2.6049039364 s
-154.2525076311
Anderson extrapolation: theta=1.2487940335 (1.2487940335)
-931.43150236
-115.854778 23.407632 142.717012
559.311320 1032.023167 -412.726624
443.456542 1055.430799 -270.009612
1176.219821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3993079208 (a.u.)
total exchange computation time: 2.6051509380 s
679.37240298
-1084.47045553
89.69828584
-388.70273452
-174.92969346
78.64580060
551.60419304
0.00000000
-931.43150261
3.91357903 -30.74406205 -2.27267405
0.00006130 0.00006316 0.00002594
0.00358610 -0.01712410 -0.00902522
-11.74166225 -2.08803943 -9.17042872
0.00036860 0.00041625 -0.00007701
0.00964250 0.01477043 0.02023962
-37.44756234 2.46300391 -0.04306892
-0.00002539 0.00003288 0.00019646
-0.01600560 -0.00306035 0.00993778
-11.56782897 -3.99287981 3.83535351
-0.00025594 -0.00006628 -0.00004779
-0.00420466 -0.02240326 0.00530878
4.54865251 -3.86729318 9.43461521
-0.00039918 -0.00005436 -0.00026518
-0.01885954 -0.03735017 0.01102229
-31.88655599 -0.86143356 -0.61446327
-0.00002229 0.00066103 0.00022086
-0.01410828 -0.00251642 -0.00003698
14.90035117 12.59198558 -14.00894395
-0.00052665 0.00011961 -0.00001350
-0.04455979 0.01788403 -0.03509260
-7.70501806 5.91518634 2.49718685
0.00004502 0.00031467 0.00027472
-0.00239227 -0.01568775 -0.03324733
7.50265894 12.58262741 -5.62943306
0.00025095 0.00014311 -0.00033794
0.01653055 0.00122734 0.00120276
8.89675845 9.83153194 -19.04048135
-0.00011295 0.00005542 0.00009660
0.01405989 0.00674028 0.00803145
23.31722165 17.34369885 -2.12043899
0.00021652 -0.00019353 -0.00003866
-0.00926582 0.00655271 -0.00521326
2.27410775 16.90879962 -19.29711461
0.00004660 0.00006960 -0.00057802
-0.02206164 -0.00896633 -0.01826840
14.07136310 -1.38492927 -5.37674346
-0.00016982 0.00027732 -0.00027274
-0.01275474 0.00320109 -0.02803096
-16.11424786 -1.74942393 3.22922656
0.00002982 0.00056827 -0.00019738
0.03709658 0.04344090 0.00674030
-16.95368254 -1.78304626 19.33951922
0.00019618 -0.00020796 -0.00039022
-0.02471496 0.01246894 -0.01603914
0.30068818 2.09012967 -5.08429312
0.00024569 -0.00021843 0.00023065
0.00808539 0.03276477 -0.00081661
22.41871122 -7.18666482 -8.95556373
0.00038136 0.00001566 0.00012608
0.01104172 0.01148188 0.00589701
-0.51014150 -6.43287159 7.24876385
-0.00025700 -0.00003797 0.00000194
0.00053112 0.00058846 -0.01218901
-1.84869322 -1.43004956 -19.29741567
0.00021867 0.00023799 -0.00000727
0.01654368 -0.04516068 0.01328898
3.33184643 2.19834556 -9.29361091
-0.00021387 -0.00022367 -0.00007207
-0.01159385 -0.00268625 0.01996810
-3.73759073 17.98303622 12.18179863
-0.00027031 -0.00022119 0.00016590
-0.00959431 0.02828845 0.00876951
-3.77514220 4.98946797 -11.24509558
-0.00024510 0.00001116 0.00029299
0.01214250 -0.00514209 -0.02116560
-8.13114003 3.18004747 -8.97981104
0.00026407 -0.00028317 -0.00005909
0.04178501 0.01932269 -0.01884768
2.02910015 27.33973524 8.47977611
0.00046462 0.00008865 0.00023124
-0.02871694 -0.01103374 0.02943983
9.98795242 -6.19044921 -1.97477742
-0.00026466 -0.00002680 0.00019272
0.00459642 -0.00422310 0.01031517
-8.79745669 0.65109335 5.91557225
0.00001223 0.00023729 0.00018486
0.02286972 0.00286699 -0.00584840
20.41185655 10.70214532 8.84509431
-0.00013183 0.00026987 0.00013348
-0.00335766 0.01716868 -0.01721523
-2.63575433 -2.15307838 -27.17164064
0.00058335 0.00009746 -0.00011145
-0.01058846 0.01516348 -0.01797764
-14.29844503 6.07647595 7.51502018
-0.00000194 0.00002606 0.00027109
-0.00131193 0.00419073 -0.00085275
-9.81417587 7.22240171 -2.65033298
0.00040924 0.00011796 0.00021677
0.00483144 -0.01001333 0.02817482
-1.71712070 -15.76764589 23.91970171
-0.00017030 0.00022785 -0.00049068
-0.04123246 0.01972269 0.01813276
-2.59987185 6.34072502 -6.39527075
-0.00004093 -0.00014848 0.00019724
-0.01821170 0.01529943 -0.01103945
-20.24666908 31.09415410 4.50371305
0.00042114 0.00004233 -0.00025432
0.01698835 0.00414344 0.01960506
7.57789097 0.02749962 8.05113383
0.00003605 -0.00004523 -0.00026178
-0.00001466 0.00488472 -0.00241189
5.53511642 11.32323571 -13.89219921
0.00012721 0.00030538 0.00014299
0.04808517 -0.00328966 0.05240717
15.75134701 3.07501035 -1.96805379
-0.00037306 -0.00043334 0.00001219
0.00886529 0.03103619 0.00459871
-4.16915641 13.60444755 -1.09517433
-0.00025191 -0.00008062 0.00032964
-0.00889583 -0.00391381 -0.02206721
4.55045530 12.61761324 3.27764394
0.00015224 -0.00027899 -0.00015878
0.03334396 0.01993709 -0.00719757
24.83912406 -11.76333033 -9.55508854
0.00009612 0.00019069 -0.00023757
-0.01145634 -0.01314099 0.02535339
16.41741581 -3.90146204 -0.39535219
-0.00000828 0.00030683 -0.00010386
0.00492410 0.01813704 0.00232591
12.94570633 7.89361345 9.91129125
-0.00004375 0.00013838 0.00037000
-0.00223461 -0.00211835 0.00571276
1.65565830 -13.82536392 17.68216747
-0.00023082 -0.00012139 -0.00001690
0.00840170 -0.02129849 -0.00497641
-4.38515667 -0.67921916 -14.52169102
0.00028866 -0.00006287 0.00019856
0.00248145 0.02897645 -0.00570691
15.04168788 -8.09608204 -9.03371442
0.00015252 0.00035201 0.00006359
0.00732611 0.03588821 -0.00555436
8.76648510 -6.65174255 8.57080387
-0.00037475 -0.00050302 0.00027187
-0.01915513 -0.01346741 0.03296837
-21.34470104 2.27354912 22.64602114
0.00006616 0.00010795 0.00029007
0.02113582 0.01269144 -0.04039387
25.82810450 -3.17419514 -7.83585538
-0.00015453 -0.00017063 -0.00033707
-0.01194294 0.02112362 0.00595792
9.83617027 -14.14387262 -7.74083287
0.00001425 0.00007223 -0.00034320
-0.01384449 0.00966159 -0.00273979
-6.36638055 -12.19224161 16.77389152
-0.00047077 -0.00044744 0.00019044
-0.00850589 -0.00229392 -0.00917093
8.23084069 3.45490549 -29.45522659
-0.00016144 0.00010222 0.00017505
-0.02373583 0.00161941 -0.00885635
10.89053188 15.57290890 15.20622138
-0.00025052 -0.00036309 0.00027352
0.01058929 -0.02038853 -0.04030398
28.53873248 6.04024175 -3.04440439
0.00009306 -0.00002649 -0.00020990
-0.01778733 0.00924872 -0.03429999
5.34186301 -31.24970820 -3.35438436
0.00005756 0.00049780 0.00033805
-0.00183703 -0.00216682 0.00619860
3.92725259 -31.67271702 -0.70193895
-0.00036702 -0.00007761 -0.00043873
0.00856742 0.00214824 0.00444530
-11.66103358 -3.80639293 -8.56399166
0.00002319 -0.00021932 -0.00039045
-0.00220338 -0.01084382 0.00137002
-12.64114045 -2.11867238 -10.70323352
-0.00029322 0.00021509 0.00010515
-0.01033314 0.00293896 -0.02275817
-38.97025511 2.13782245 1.00441467
-0.00069064 -0.00017422 0.00006424
0.02116768 0.00225328 -0.01221415
-37.75281858 4.10795709 -0.94381034
-0.00007791 0.00072571 -0.00029275
-0.00121531 -0.01553943 0.00670837
-10.82276045 -5.69505702 3.54103869
0.00036913 -0.00110270 0.00033355
-0.00142184 0.01483298 0.00000398
-10.23216316 -2.80316000 3.62204347
-0.00064638 0.00070595 0.00001710
0.01349815 0.00753817 -0.00174218
5.34736088 -2.46993860 8.71348949
-0.00036992 -0.00046405 -0.00110617
0.01856213 0.03483784 -0.01550610
4.61712445 -3.52912065 11.22437466
0.00081828 -0.00024594 -0.00009466
-0.00390831 -0.00042010 0.00937940
-33.33013305 -1.95651058 -0.80398114
-0.00016454 0.00071920 0.00001131
-0.00435921 -0.00514698 0.00340937
-32.59368024 0.57546638 0.23367107
-0.00009104 -0.00100190 0.00081244
-0.00352356 0.00909109 0.00412976
14.74471052 12.88704411 -15.91595713
-0.00052791 -0.00052242 0.00126316
0.00689356 -0.00630445 0.03609561
16.49284872 11.96877084 -13.58393559
-0.00001788 -0.00054083 0.00106859
0.03697217 -0.01279522 0.00080681
-8.55021034 7.04077776 1.27865254
-0.00067390 0.00009739 -0.00016172
0.00611344 -0.00421544 0.01355560
-7.31582402 4.51644404 1.23196786
-0.00046259 -0.00075709 -0.00060355
-0.00023575 0.01952031 0.02161530
6.10600313 12.38772890 -6.74682602
0.00050966 -0.00033265 0.00032497
-0.00792057 0.00276387 -0.01382574
8.93672583 13.65237091 -6.47958839
-0.00027859 -0.00031423 -0.00052753
-0.01926022 -0.00674024 0.00677846
8.74210005 8.96833972 -20.61183524
-0.00100257 -0.00054820 0.00022632
-0.00319858 -0.00752933 -0.01220513
10.61452732 10.57742916 -19.13873352
-0.00026327 0.00180626 -0.00038255
-0.01164590 -0.00085638 0.00302815
24.11719077 15.76014546 -2.68800112
-0.00081247 0.00021893 0.00023598
-0.00420158 -0.00007836 0.00606656
24.72416047 18.49862946 -2.39250632
0.00114930 -0.00131055 -0.00038646
-0.00252590 0.01084408 0.00549816
1.61434396 17.08995812 -21.10731675
-0.00054073 -0.00137908 0.00064406
0.01294183 -0.00245038 0.02377622
2.79291140 15.09524610 -19.11800998
-0.00061174 -0.00056612 0.00001260
0.00833717 0.01855526 -0.00379593
12.89415909 -1.19053879 -6.82798691
-0.00002058 0.00189481 -0.00008439
0.01453586 -0.00692892 0.00869995
13.00802287 -1.20414837 -3.91841480
0.00088410 -0.00067541 0.00061765
-0.00029246 0.00375331 0.00950069
-17.41971087 -2.91974247 3.43886939
0.00043341 -0.00019271 -0.00053300
-0.02221860 -0.03468574 0.00130077
-14.42343128 -2.50949180 3.35566095
-0.00006753 -0.00026729 0.00098293
-0.01557871 -0.00945166 -0.00371178
-16.18505535 -0.18346859 19.81166262
0.00076051 -0.00062515 0.00009740
-0.00109293 0.01007077 0.01150149
-15.66165656 -2.97098564 19.41249367
-0.00000896 0.00009173 -0.00028807
0.03036464 -0.02586019 0.00783238
-0.75268708 0.60598696 -5.18566168
-0.00031856 0.00039023 -0.00037731
-0.01721333 -0.00745874 0.00539260
-0.78477379 3.60585540 -4.84252256
-0.00010589 -0.00005869 -0.00033229
0.00332038 -0.02149861 -0.00448960
23.31683547 -8.76767458 -9.30397481
0.00001056 -0.00111696 -0.00038588
-0.00309282 0.00938573 0.00683393
23.64224868 -5.85746904 -8.44712244
-0.00005754 0.00103294 -0.00035277
-0.00708059 -0.01645069 -0.00565792
0.53200553 -5.90466336 5.78849691
-0.00020383 0.00041943 0.00030371
-0.00577223 -0.00243871 0.01088680
-0.31142292 -5.13786415 8.51114601
0.00080987 0.00029919 -0.00028469
0.00490144 -0.00364733 0.00219353
-1.03245005 -3.07111205 -18.70708931
-0.00015201 -0.00004860 -0.00035520
-0.01100514 0.03656560 -0.01163283
-3.14160838 -2.11405890 -20.41406209
0.00033775 -0.00048184 -0.00064532
-0.00694430 0.00583415 -0.00183773
2.81376720 2.36942715 -11.00937117
-0.00031019 -0.00077051 0.00077458
-0.00147094 0.00699881 -0.01604755
1.82623388 2.59240041 -8.22593523
0.00047479 0.00070774 -0.00019196
0.01824226 -0.00543540 -0.00066850
-2.40301590 16.85954964 12.69542702
0.00036406 -0.00082238 -0.00014250
0.01415118 -0.01988834 -0.00260007
-3.47504174 19.35093734 13.42825804
0.00026606 0.00087981 0.00012903
-0.00872628 -0.01211164 -0.00726149
-4.43744828 6.37836480 -12.34893006
-0.00007959 -0.00098436 0.00110115
0.01408157 -0.02811665 0.01142147
-2.93812165 3.54238136 -12.14482194
-0.00077827 0.00121517 -0.00016050
-0.02520792 0.02951790 0.00389743
-7.74906789 2.27120110 -7.48086244
-0.00042503 -0.00033380 0.00019839
0.00017781 -0.01167894 0.01535919
-6.34903275 3.75605920 -9.49774442
0.00032161 -0.00045704 0.00027506
-0.04670231 -0.01023678 0.00441830
2.02955490 28.25135857 6.93565499
0.00042886 0.00049426 -0.00011635
0.00456747 0.01219099 -0.02156071
0.29631485 27.63379844 9.10643272
0.00027414 0.00064180 0.00007002
0.02215495 -0.00017982 -0.00641212
10.84774038 -6.98730591 -0.51347839
-0.00060142 -0.00086402 -0.00079816
-0.00867223 0.00300770 -0.01292505
8.75949628 -7.40910681 -2.60582164
-0.00002092 0.00039898 -0.00058016
0.00621965 0.00234873 0.00681421
-6.98559503 0.22500794 6.31064342
-0.00017351 0.00014468 -0.00002515
-0.01430017 0.00692821 -0.00276458
-9.54671515 -0.68242538 6.84635023
0.00144588 0.00009582 -0.00055982
-0.01860519 -0.00833476 0.01118617
21.65386812 10.25405677 10.07098281
0.00039135 -0.00083044 -0.00064594
0.00868244 -0.00432433 0.01324250
20.84399100 12.48298731 8.44732737
0.00024267 -0.00095268 -0.00063995
-0.00460397 -0.00814424 0.00128449
-1.59013587 -3.30210019 -26.25658173
0.00057538 -0.00138028 -0.00040866
0.00686571 -0.01355180 0.01332089
-4.37052683 -2.23836106 -26.56638122
-0.00076271 0.00019872 -0.00032985
0.00807471 -0.00083805 0.00187915
-14.33965312 7.18957690 8.95695816
0.00026813 0.00049178 0.00004841
0.00004459 -0.00186396 0.00232921
-14.89333959 7.22836384 6.21558275
-0.00121999 0.00049444 0.00082850
0.00241154 -0.00418151 -0.00198743
-11.20643710 6.69115998 -3.64756985
-0.00014698 0.00054513 0.00023806
-0.00827504 0.00682374 -0.01254946
-8.69789157 8.27985928 -3.61904797
0.00011632 0.00048819 -0.00040270
0.00200173 0.00475103 -0.01454586
-1.08983713 -17.46439466 23.45362168
-0.00040762 0.00041572 0.00007584
-0.01221277 0.00118684 0.00350805
-3.58031448 -15.65704447 24.52458498
0.00066875 -0.00009520 -0.00049151
0.05364563 -0.01553400 -0.02252659
-3.00269870 5.59975251 -8.08618267
0.00084188 0.00032923 -0.00026749
0.00617570 0.01682427 0.01878746
-3.76612717 7.84369275 -6.18027654
-0.00027164 0.00026294 -0.00027192
0.00866886 -0.02686242 -0.00422604
-21.16413302 30.54431879 3.06748450
0.00036225 0.00052276 -0.00076617
-0.02713623 -0.01838881 -0.01917618
-21.32550018 32.27510906 5.37549542
0.00068305 -0.00116451 -0.00006550
-0.00941573 -0.00514756 0.00533196
7.00075679 -0.25360844 6.28795358
0.00036171 0.00101895 0.00042595
0.00114965 0.00824208 0.00520812
7.34851360 1.80049057 8.49696012
0.00042266 0.00055610 -0.00135902
-0.00216383 -0.00793847 -0.01161126
6.68814468 12.78667169 -13.57888061
0.00046454 0.00037889 -0.00092090
0.00164409 -0.01721449 -0.00356142
4.47494395 12.09945877 -15.01246615
0.00022442 -0.00074863 0.00091954
-0.04165150 0.02008374 -0.04143061
14.49147490 3.95886145 -2.95399869
-0.00015187 -0.00062603 -0.00076746
0.00159020 0.00816739 0.00305175
15.20728911 1.40039929 -1.98675595
-0.00017913 -0.00013350 0.00030009
-0.00559490 -0.03537393 -0.00063692
-2.46041654 13.51405055 -0.53357118
-0.00002158 -0.00002620 0.00003585
0.00273165 -0.00627860 0.01009818
-5.40570973 13.00873452 0.13834137
-0.00029843 -0.00064014 0.00069633
0.00785411 -0.00010486 0.00862514
3.78902053 10.98727634 3.53364147
-0.00041030 -0.00172334 -0.00015793
-0.00895343 -0.02056857 0.00497273
6.38345990 12.31676455 3.61336734
-0.00035683 -0.00022798 -0.00037042
-0.01929614 0.00123534 -0.00985695
25.29165689 -13.32679151 -8.70431362
0.00031541 0.00048115 0.00048273
-0.01108505 0.00706417 0.00420454
26.05839670 -11.61547441 -10.83741367
0.00114904 0.00017849 -0.00004204
0.02322482 0.00627486 -0.03707594
14.70937003 -4.06881085 -0.95411801
0.00052242 -0.00034742 0.00000159
-0.00309416 0.00506328 0.00305520
17.17221717 -5.48282795 -0.83516535
0.00011717 -0.00059486 -0.00035538
0.00839804 -0.01783146 -0.00225137
11.95165113 8.06006114 11.45101981
0.00122111 -0.00042165 -0.00004758
0.00050743 -0.00652304 0.00513900
12.91140427 9.56566659 9.20695440
0.00075880 0.00008468 -0.00003605
0.00786021 0.01256054 -0.00632739
-0.01234051 -14.44675803 17.04563446
-0.00042246 -0.00007833 0.00020028
0.01235361 0.01544269 0.00631957
1.75303722 -12.10964908 18.24979560
-0.00016210 -0.00091043 -0.00002655
-0.01216239 0.00380316 -0.00250176
-4.07705546 -2.15850331 -13.56664738
0.00070230 -0.00099476 0.00020472
0.00433927 -0.02062347 0.01320970
-3.14432904 -0.53694672 -15.85306763
-0.00100036 0.00027939 0.00082518
0.00255492 -0.00864137 -0.00688544
14.35312679 -8.07474966 -10.74258156
-0.00109797 0.00006282 0.00149913
-0.00092045 -0.01377308 -0.00544674
16.01108484 -6.43008274 -9.17832240
0.00110602 0.00113591 -0.00041346
-0.00243741 -0.02356269 0.00960592
7.24449262 -5.81076827 9.34257248
-0.00053114 0.00034416 0.00042838
0.01728135 0.00111457 -0.02185768
9.35938991 -5.66069704 7.19663842
0.00016601 -0.00032345 -0.00017395
0.00037011 0.01231144 -0.01186735
-20.96364276 2.19929421 20.76450393
-0.00073243 -0.00096307 -0.00017552
-0.01246773 -0.00251007 0.03503756
-21.75613790 0.59421508 23.19469817
0.00023725 0.00026364 -0.00000419
-0.00856831 -0.00839612 0.00336558
26.39860613 -2.90368664 -6.10729236
0.00032744 -0.00022218 -0.00032509
0.00506199 -0.00161542 0.00020944
25.17304099 -1.45099088 -8.18099019
-0.00018294 -0.00037527 -0.00003762
0.00761556 -0.01298261 -0.00438966
8.99293408 -15.80121319 -7.58861992
-0.00046646 -0.00039215 0.00004935
0.01345499 0.00575875 -0.00326934
8.61279123 -12.88899702 -7.14343613
0.00032212 -0.00000916 -0.00006449
0.01292521 -0.00541783 0.00044681
-5.57291041 -11.03912932 17.92804854
-0.00012505 0.00000402 0.00073061
0.00356564 0.01094231 0.00483860
-7.25062555 -11.17191303 15.49927328
-0.00085819 -0.00050401 0.00009496
0.01405160 -0.00351483 0.00674582
9.30002784 1.98910468 -29.46646393
-0.00127524 -0.00163244 0.00033416
0.00089922 -0.00503516 -0.00810265
6.81720117 3.21458562 -30.66458381
0.00018501 0.00031137 0.00061138
0.00926076 -0.00968483 0.01505334
12.58957779 14.84730103 14.67464732
0.00022636 0.00061842 -0.00063154
-0.00781056 0.00383237 -0.01488131
11.27330969 16.02829122 16.85415835
-0.00034424 -0.00033969 0.00059293
0.00178213 0.01832555 0.05227291
29.04144429 5.02369375 -4.52877112
0.00087223 -0.00034311 0.00000356
0.00389263 0.00168261 0.01374573
26.82164831 6.55695944 -3.60915784
0.00065499 -0.00047674 -0.00046570
0.00776440 0.00399660 0.01312134
-9.96354967 4.90449357 6.90760290
0.00003733 -0.00009320 -0.00019481
0.00038840 -0.00477574 -0.00723650
-8.67233623 13.25426959 2.58824895
-0.00004149 0.00007691 0.00003125
-0.00074081 -0.00122374 -0.00441240
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09486709
0.33663553
448.54996040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3971408092 (a.u.)
total exchange computation time: 2.6096000671 s
-154.2186366367
-931.43249484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3966540896 (a.u.)
total exchange computation time: 2.6078789234 s
-154.2239483521
Anderson extrapolation: theta=1.3722143785 (1.3722143785)
-931.43269717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3958856505 (a.u.)
total exchange computation time: 2.6105000973 s
-154.2320701814
Anderson extrapolation: theta=0.0608271345 (0.0608271345)
-931.43282166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3957631754 (a.u.)
total exchange computation time: 2.6081490517 s
-154.2332272799
Anderson extrapolation: theta=2.1359620324 (2.0000000000)
-931.43282761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3955045780 (a.u.)
total exchange computation time: 2.6082711220 s
-154.2356213641
Anderson extrapolation: theta=0.3070399239 (0.3070399239)
-931.43283493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3954334628 (a.u.)
total exchange computation time: 2.6119921207 s
-154.2362518313
Anderson extrapolation: theta=1.4165580080 (1.4165580080)
-931.43283676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3953638878 (a.u.)
total exchange computation time: 2.6085228920 s
-154.2368533476
Anderson extrapolation: theta=0.3985372077 (0.3985372077)
-931.43283867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3953669719 (a.u.)
total exchange computation time: 2.6093378067 s
-154.2368151105
Anderson extrapolation: theta=1.0420159525 (1.0420159525)
-931.43283933
-115.806910 23.358855 142.746566
559.318484 1031.977307 -412.722801
443.511573 1055.336162 -269.976235
1176.147992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3953926331 (a.u.)
total exchange computation time: 2.6099932194 s
679.31165724
-1084.34853450
89.70815697
-388.78721331
-174.92151358
78.57950106
551.60419304
0.00000000
-931.43283982
3.91451243 -30.74318075 -2.27231979
0.00006284 0.00005478 0.00002100
0.00238080 -0.01544197 -0.01017990
-11.73609605 -2.08173872 -9.17150579
0.00037325 0.00042284 -0.00006687
0.00845534 0.01084586 0.01919049
-37.44800495 2.46348537 -0.04008373
-0.00003432 0.00003219 0.00020144
-0.01871729 0.00035122 0.00944059
-11.57168434 -3.99396036 3.83465707
-0.00025729 -0.00007887 -0.00004523
-0.00103668 -0.02659102 0.00467971
4.54259213 -3.86825264 9.43067996
-0.00040867 -0.00007332 -0.00025928
-0.01806515 -0.03637356 0.01192106
-31.88694482 -0.85152788 -0.61115046
-0.00002911 0.00065784 0.00021990
-0.01241554 -0.00986746 -0.00372150
14.89227955 12.59384873 -14.00928180
-0.00054725 0.00012757 -0.00002906
-0.03556741 0.01305545 -0.02541059
-7.70435191 5.91984595 2.50117944
0.00004365 0.00030586 0.00025616
-0.00294555 -0.01859387 -0.03893182
7.50648697 12.58477884 -5.63449751
0.00025983 0.00014351 -0.00033636
0.01798260 0.00033396 0.00493266
8.89511845 9.83238930 -19.03900140
-0.00010521 0.00005905 0.00010032
0.01601810 0.00735369 0.00645007
23.32043365 17.34082125 -2.12103894
0.00021133 -0.00018900 -0.00004119
-0.01088213 0.01103213 -0.00465999
2.27472158 16.90980905 -19.30585536
0.00003576 0.00006390 -0.00058607
-0.02005647 -0.01318424 -0.01302705
14.06876653 -1.38075714 -5.38094262
-0.00017604 0.00027901 -0.00028690
-0.01141451 0.00339365 -0.02704259
-16.11365742 -1.74073229 3.22629186
0.00004884 0.00058959 -0.00019374
0.03685983 0.03946945 0.00739967
-16.95083517 -1.78611757 19.33360404
0.00018332 -0.00020097 -0.00039848
-0.02529170 0.01470417 -0.01607844
0.30440466 2.08697963 -5.08083652
0.00024955 -0.00020108 0.00023033
0.00693674 0.03471179 -0.00043779
22.42447418 -7.18638559 -8.95364977
0.00038741 0.00002075 0.00012886
0.01251086 0.00830151 0.00492231
-0.51399443 -6.43343894 7.24874590
-0.00025656 -0.00003719 -0.00000408
0.00115961 0.00248324 -0.01119595
-1.84534938 -1.42665394 -19.29747347
0.00022624 0.00021426 -0.00000123
0.01288676 -0.04712301 0.01018645
3.32859366 2.19498008 -9.29461497
-0.00021887 -0.00022527 -0.00006052
-0.00785651 -0.00352052 0.02497556
-3.74168239 17.97982755 12.18432089
-0.00027415 -0.00020662 0.00017147
-0.00534835 0.02837099 0.01289713
-3.77877182 4.98961557 -11.24078230
-0.00023873 0.00000821 0.00028371
0.01261838 -0.00635213 -0.01494397
-8.12701777 3.17587439 -8.98077016
0.00028537 -0.00027348 -0.00006847
0.04104771 0.01837290 -0.01759989
2.03595870 27.34102249 8.48335821
0.00044956 0.00008378 0.00024532
-0.02985414 -0.00793631 0.02533176
9.98400021 -6.19086756 -1.97184676
-0.00026253 -0.00002846 0.00019734
0.00370748 -0.00220908 0.00764917
-8.79718509 0.65466375 5.91832252
0.00002463 0.00024004 0.00018092
0.02537554 0.00781150 -0.00945404
20.40986616 10.70625967 8.84703006
-0.00013374 0.00027702 0.00012507
-0.00405860 0.01062830 -0.01546110
-2.62704490 -2.15155794 -27.17338173
0.00057682 0.00010419 -0.00011929
-0.01481097 0.01098666 -0.01252686
-14.29847921 6.07688306 7.51908330
-0.00000291 0.00002887 0.00027044
-0.00246854 0.00671952 -0.00170384
-9.80801870 7.22413252 -2.64697272
0.00041156 0.00011303 0.00023035
0.00419467 -0.00917171 0.02463973
-1.71983430 -15.76415207 23.91241140
-0.00019067 0.00023837 -0.00048154
-0.03798245 0.02120552 0.01741193
-2.60055598 6.33855678 -6.39235477
-0.00005055 -0.00014019 0.00019150
-0.01921499 0.01693789 -0.01127655
-20.24028644 31.09480502 4.49997384
0.00043037 0.00004299 -0.00024573
0.01888657 -0.00157808 0.01380681
7.57843164 0.02684008 8.04719779
0.00003629 -0.00004173 -0.00026182
0.00096792 0.00871586 0.00225517
5.53721005 11.32780367 -13.88985221
0.00015359 0.00030257 0.00017151
0.05449794 -0.00761731 0.05849322
15.74578527 3.06862990 -1.96785315
-0.00036851 -0.00041652 0.00001438
0.00885608 0.03440460 0.00389424
-4.17296938 13.60322314 -1.09031485
-0.00025673 -0.00008288 0.00031888
-0.00983321 -0.00488481 -0.01978700
4.55286752 12.61350524 3.27523449
0.00016721 -0.00027101 -0.00016230
0.02485870 0.01112544 -0.00649129
24.84052167 -11.76052068 -9.55855434
0.00009127 0.00018384 -0.00022555
-0.00739081 -0.01351254 0.02138144
16.41731057 -3.89678962 -0.39690114
-0.00000405 0.00031451 -0.00010292
0.01154190 0.01172700 0.00134936
12.94504150 7.89568095 9.91686322
-0.00004366 0.00013710 0.00037100
0.00255593 -0.00283658 -0.00181385
1.65222840 -13.82726695 17.68189485
-0.00022665 -0.00013380 -0.00002000
0.00780580 -0.02695113 -0.00709823
-4.38081714 -0.68005051 -14.51873469
0.00028841 -0.00004984 0.00019861
-0.00347213 0.02172013 0.00592597
15.04400398 -8.09066340 -9.03278203
0.00015736 0.00037140 0.00006215
0.01148332 0.03950802 -0.00001755
8.76078998 -6.65933979 8.57500906
-0.00038468 -0.00050884 0.00028805
-0.01946402 -0.00915722 0.02994128
-21.34362715 2.27521735 22.65021638
0.00007715 0.00011463 0.00026865
0.02159848 0.01326642 -0.04290952
25.82574044 -3.17667309 -7.84088851
-0.00016038 -0.00016011 -0.00033366
-0.01081604 0.01977326 0.00733568
9.83633067 -14.14275190 -7.74599143
0.00000683 0.00007600 -0.00034455
-0.01503577 0.00498373 -0.00250361
-6.37347486 -12.19896203 16.77671268
-0.00047456 -0.00044751 0.00018648
-0.00623103 0.00199645 -0.00620032
8.22832750 3.45644498 -29.45263495
-0.00017205 0.00010173 0.00017103
-0.01750683 -0.00351463 -0.00677363
10.88681498 15.56738385 15.21016874
-0.00024451 -0.00037312 0.00025333
0.01275520 -0.01859582 -0.03819756
28.54005978 6.03988008 -3.04768522
0.00008494 -0.00002216 -0.00022744
-0.01380460 0.00758374 -0.03390123
5.34267017 -31.24230767 -3.34912366
0.00005233 0.00048751 0.00036155
-0.00072403 -0.00286959 0.00530609
3.92200987 -31.67381530 -0.70838366
-0.00033134 -0.00007148 -0.00041625
0.00889799 0.00085241 0.00655584
-11.66075327 -3.81001497 -8.56980641
0.00001463 -0.00025658 -0.00038556
-0.00198797 -0.00739629 0.00102147
-12.64585536 -2.11535599 -10.70235370
-0.00033337 0.00022807 0.00001562
-0.00932345 0.00341482 -0.02106462
-38.97996602 2.13527827 1.00500400
-0.00059942 -0.00016359 0.00001104
0.02348265 0.00294910 -0.01382892
-37.75402444 4.11836651 -0.94799606
-0.00008195 0.00065449 -0.00026102
-0.00076263 -0.01932305 0.00882327
-10.81726701 -5.71114305 3.54604211
0.00035958 -0.00102984 0.00033462
-0.00325519 0.02083322 0.00051587
-10.24144525 -2.79233979 3.62224659
-0.00059375 0.00073250 0.00001023
0.01226519 0.00546140 -0.00162141
5.34238090 -2.47583188 8.69642176
-0.00029559 -0.00032387 -0.00116797
0.01782432 0.03378339 -0.01474457
4.62927885 -3.53282260 11.22324222
0.00080195 -0.00024703 -0.00005942
-0.00408397 -0.00011588 0.00787085
-33.33273468 -1.94588029 -0.80370697
-0.00018023 0.00069788 0.00002486
-0.00332095 -0.00529190 0.00322176
-32.59515377 0.56071643 0.24598415
-0.00011079 -0.00095012 0.00083728
-0.00614564 0.01625469 0.00802986
14.73700307 12.87901465 -15.89590362
-0.00049934 -0.00054617 0.00139666
0.00709166 -0.00532083 0.02925028
16.49371348 11.96026632 -13.56788200
0.00011491 -0.00058569 0.00106631
0.02803022 -0.00916690 -0.00192550
-8.56013150 7.04210939 1.27664212
-0.00064597 0.00007675 -0.00010250
0.00756061 -0.00588741 0.01543163
-7.32277012 4.50568590 1.22357695
-0.00046521 -0.00066817 -0.00050788
-0.00104477 0.02400394 0.02521485
6.11340533 12.38282383 -6.74237516
0.00047002 -0.00032242 0.00026313
-0.01148241 0.00224292 -0.01644397
8.93195675 13.64745095 -6.48729367
-0.00035393 -0.00033971 -0.00050119
-0.01761586 -0.00573517 0.00611852
8.72696345 8.95988600 -20.60881441
-0.00101308 -0.00057573 0.00018107
-0.00194384 -0.00594827 -0.00994607
10.61022140 10.60449686 -19.14437901
-0.00031680 0.00179793 -0.00037164
-0.01455746 -0.00322468 0.00231540
24.10487493 15.76342704 -2.68427547
-0.00082617 0.00020865 0.00025694
-0.00250536 -0.00495562 0.00419202
24.74132262 18.47930350 -2.39813477
0.00113711 -0.00126534 -0.00036280
-0.00344241 0.01128561 0.00608413
1.60662965 17.06919678 -21.09692723
-0.00049062 -0.00138536 0.00073139
0.01158488 -0.00062364 0.01897156
2.78399074 15.08732287 -19.11793733
-0.00057762 -0.00048563 -0.00000256
0.00836512 0.02084594 -0.00362566
12.89429583 -1.16232890 -6.82898612
0.00003686 0.00186510 -0.00004838
0.01358028 -0.00761602 0.00892756
13.02127537 -1.21416454 -3.90885888
0.00088208 -0.00065961 0.00065440
-0.00069659 0.00398225 0.00848832
-17.41389057 -2.92369598 3.43091428
0.00034507 -0.00032988 -0.00052861
-0.02102598 -0.03245907 0.00084708
-14.42492162 -2.51379083 3.37029117
-0.00013355 -0.00030253 0.00096663
-0.01673771 -0.00779509 -0.00426538
-16.17368122 -0.19253718 19.81347610
0.00075357 -0.00058432 0.00014381
-0.00230383 0.00991219 0.01121432
-15.66086054 -2.97040220 19.40841268
0.00011877 -0.00001819 -0.00025585
0.03216280 -0.02794471 0.00794003
-0.75799298 0.61161191 -5.19115613
-0.00038871 0.00035718 -0.00035531
-0.01712545 -0.00872332 0.00537593
-0.78626040 3.60431628 -4.84764453
-0.00008976 -0.00014785 -0.00035038
0.00457432 -0.02214542 -0.00436235
23.31689913 -8.78414141 -9.30955366
-0.00000544 -0.00106724 -0.00035503
-0.00473968 0.01495162 0.00827164
23.64116864 -5.84247904 -8.45258732
-0.00008642 0.00096117 -0.00037666
-0.00705786 -0.01868010 -0.00603845
0.52877126 -5.89844666 5.79338614
-0.00022708 0.00040813 0.00034608
-0.00560965 -0.00308991 0.00985492
-0.29912466 -5.13348804 8.50694287
0.00082864 0.00028177 -0.00027602
0.00428801 -0.00487908 0.00205151
-1.03506741 -3.07072053 -18.71277383
-0.00019528 0.00010052 -0.00040112
-0.01017510 0.03642611 -0.01084364
-3.13675490 -2.12110770 -20.42379814
0.00031457 -0.00045359 -0.00064802
-0.00440273 0.00799194 0.00051216
2.80906929 2.35808391 -10.99824428
-0.00031963 -0.00074091 0.00069573
-0.00315084 0.00749059 -0.02254794
1.83391467 2.60284994 -8.22883515
0.00054517 0.00068570 -0.00019171
0.01621223 -0.00535059 0.00079324
-2.39712139 16.84660456 12.69320983
0.00041421 -0.00089557 -0.00015523
0.01039845 -0.01594071 -0.00363242
-3.47131824 19.36376332 13.42997091
0.00022980 0.00082091 0.00009338
-0.00902157 -0.01672008 -0.01018910
-4.43821061 6.36273788 -12.33206286
-0.00002856 -0.00108613 0.00113877
0.01089815 -0.02170009 0.00699679
-2.95056811 3.56151344 -12.14710999
-0.00087528 0.00132536 -0.00014869
-0.02228138 0.02442101 0.00188367
-7.75543786 2.26583615 -7.47741587
-0.00042430 -0.00037966 0.00025884
0.00017817 -0.01076619 0.01422810
-6.34563964 3.74888994 -9.49348311
0.00013235 -0.00049861 0.00029316
-0.04594443 -0.01011235 0.00444299
2.03612782 28.25914607 6.93324910
0.00044787 0.00053863 -0.00019616
0.00473508 0.00952716 -0.01751014
0.30110578 27.64341990 9.10728655
0.00036651 0.00064000 0.00004364
0.02306459 -0.00070200 -0.00650084
10.83845329 -7.00017402 -0.52584686
-0.00063294 -0.00085391 -0.00084442
-0.00675560 0.00194070 -0.00972143
8.75937309 -7.40305014 -2.61431519
0.00000228 0.00040677 -0.00055356
0.00513766 0.00146382 0.00620718
-6.98863583 0.22739046 6.31018150
-0.00022828 0.00017421 -0.00003695
-0.01251054 0.00752747 -0.00301075
-9.52559709 -0.68124354 6.83829571
0.00136153 0.00005018 -0.00050625
-0.02268443 -0.01400217 0.01503615
21.66000444 10.24146760 10.06169953
0.00042514 -0.00084635 -0.00059378
0.00785717 -0.00346429 0.01228907
20.84748999 12.46844757 8.43776749
0.00022684 -0.00097452 -0.00063589
-0.00314485 -0.00254542 0.00070078
-1.58129479 -3.32321960 -26.26230337
0.00059534 -0.00142661 -0.00036055
0.00290444 -0.00913037 0.01022456
-4.38172001 -2.23540598 -26.57127142
-0.00071326 0.00019530 -0.00032721
0.01613059 -0.00083506 -0.00058705
-14.33562973 7.19689650 8.95775565
0.00026916 0.00048238 0.00005815
0.00045897 -0.00273608 0.00244170
-14.91156551 7.23565235 6.22794934
-0.00120822 0.00047369 0.00082199
0.00334934 -0.00597562 -0.00119962
-11.20889533 6.69954604 -3.64438345
-0.00017679 0.00057429 0.00019040
-0.00631915 0.00745030 -0.01078087
-8.69608542 8.28732765 -3.62553420
0.00012153 0.00050418 -0.00045835
0.00054982 0.00307739 -0.01269663
-1.09632567 -17.45812247 23.45486682
-0.00045504 0.00041643 0.00008868
-0.01100116 -0.00083992 0.00277820
-3.56863934 -15.65894851 24.51652201
0.00087893 -0.00015722 -0.00058076
0.04923889 -0.01482280 -0.02116164
-2.98988133 5.60520644 -8.08961934
0.00086648 0.00039743 -0.00019038
0.00586810 0.01656210 0.01895817
-3.76993612 7.84681374 -6.18448477
-0.00023408 0.00015027 -0.00028895
0.00971471 -0.02829009 -0.00411081
-21.15953075 30.55159666 3.05540428
0.00025463 0.00044894 -0.00083954
-0.02554682 -0.01774299 -0.01673578
-21.31554292 32.25748363 5.37467627
0.00063682 -0.00117623 -0.00003734
-0.01321374 -0.00058568 0.00845146
7.00621766 -0.23807160 6.29450240
0.00036351 0.00104849 0.00043648
-0.00026964 0.00621696 -0.00005104
7.35478715 1.80858884 8.47621907
0.00041476 0.00052032 -0.00140447
-0.00169993 -0.00957604 -0.01063690
6.69516323 12.79182752 -13.59280330
0.00047138 0.00030896 -0.00093491
0.00170159 -0.01701830 -0.00329360
4.47703388 12.08884482 -14.99994267
0.00004118 -0.00065827 0.00073717
-0.04804233 0.02414505 -0.04784014
14.48924551 3.94972127 -2.96541707
-0.00014347 -0.00059395 -0.00075311
0.00252460 0.00753722 0.00397377
15.20443066 1.39731282 -1.98227406
-0.00020371 -0.00028294 0.00029770
-0.00643700 -0.03777679 -0.00053378
-2.46065648 13.51346510 -0.53272395
-0.00001252 -0.00005186 0.00007638
0.00170350 -0.00628092 0.00973885
-5.40994548 12.99912925 0.14905063
-0.00026248 -0.00063822 0.00072746
0.00974111 0.00104249 0.00661210
3.78259165 10.96079595 3.53142487
-0.00043740 -0.00178677 -0.00014001
-0.00430912 -0.01048109 0.00379804
6.37751617 12.31338263 3.60750900
-0.00042866 -0.00022385 -0.00040925
-0.01586427 0.00078801 -0.00915076
25.29604833 -13.31935772 -8.69694387
0.00026945 0.00051143 0.00049913
-0.01141084 0.00775473 0.00382403
26.07634398 -11.61260485 -10.83918042
0.00123588 0.00020339 -0.00018486
0.01928574 0.00591479 -0.03283449
14.71711145 -4.07386699 -0.95400057
0.00050113 -0.00032688 0.00001208
-0.00732298 0.00499265 0.00207953
17.17423201 -5.49229734 -0.84056500
0.00014628 -0.00065497 -0.00036052
0.00585501 -0.01159284 -0.00026517
11.96998333 8.05353644 11.45046356
0.00121439 -0.00044540 -0.00001425
-0.00379932 -0.00509884 0.01117723
12.92302707 9.56732163 9.20621976
0.00078982 0.00013433 -0.00005976
0.00732544 0.01174509 -0.00527895
-0.01829879 -14.44745971 17.04883233
-0.00037133 -0.00001547 0.00022619
0.01267144 0.01532770 0.00636439
1.75023306 -12.12318904 18.24932072
-0.00021103 -0.00088298 -0.00003279
-0.01178840 0.00963446 -0.00055622
-4.06638799 -2.17405666 -13.56317185
0.00071722 -0.00106574 0.00025017
0.00296540 -0.01412104 0.00903941
-3.15925618 -0.53302072 -15.84090089
-0.00097534 0.00024559 0.00078209
0.00969139 -0.00790127 -0.01420927
14.33662909 -8.07422948 -10.72026146
-0.00110503 0.00000812 0.00146595
-0.00253881 -0.01299937 -0.01079621
16.02760047 -6.41376611 -9.18422989
0.00109063 0.00103156 -0.00037489
-0.00509692 -0.02751808 0.00927107
7.23705512 -5.80557173 9.34832839
-0.00045651 0.00034560 0.00033645
0.01925106 -0.00040740 -0.02314158
9.36189145 -5.66517152 7.19366555
0.00016386 -0.00027913 -0.00021393
-0.00142511 0.00938413 -0.00770325
-20.97501128 2.18477119 20.76294479
-0.00078290 -0.00097073 -0.00003026
-0.01223541 -0.00123928 0.03606808
-21.75284174 0.59791236 23.19473853
0.00020113 0.00022582 0.00001239
-0.00911302 -0.01011499 0.00474912
26.40367291 -2.90706891 -6.11216228
0.00034715 -0.00022910 -0.00032631
0.00458320 -0.00176972 -0.00080565
25.17053021 -1.45701769 -8.18168897
-0.00015322 -0.00042505 -0.00005627
0.00693527 -0.01138788 -0.00473858
8.98634944 -15.80691904 -7.58797988
-0.00040701 -0.00036112 0.00003505
0.01564712 0.00943250 -0.00372738
8.61801917 -12.88930048 -7.14438982
0.00037314 -0.00002931 -0.00006195
0.01204720 -0.00444457 0.00079647
-5.57467694 -11.03873375 17.93915596
-0.00011642 0.00004103 0.00074184
0.00065799 0.00717405 0.00065651
-7.26306788 -11.17958087 15.50090438
-0.00079926 -0.00051901 0.00012469
0.01479780 -0.00382739 0.00780853
9.28092678 1.96446377 -29.46169987
-0.00127770 -0.00164268 0.00030200
-0.00210140 0.00002512 -0.00763966
6.82026015 3.21895944 -30.65495187
0.00021617 0.00027177 0.00066741
0.00598868 -0.00970282 0.01237492
12.59273393 14.85669479 14.66471820
0.00019265 0.00063465 -0.00068929
-0.00869397 0.00411288 -0.01338713
11.26820069 16.02375739 16.86465416
-0.00033788 -0.00026762 0.00079828
0.00133248 0.01695348 0.04824570
29.05464700 5.01859865 -4.52829653
0.00088678 -0.00033487 0.00006140
0.00323115 0.00235083 0.01456860
26.83171108 6.54993082 -3.61574128
0.00068002 -0.00045867 -0.00041410
0.00449038 0.00484613 0.01213890
-9.96298868 4.90308270 6.90466135
0.00003746 -0.00009483 -0.00019739
0.00032777 -0.00431593 -0.00718516
-8.67295989 13.25542117 2.58871007
-0.00004169 0.00007664 0.00003022
-0.00098175 -0.00116728 -0.00450031
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09431100
0.33852882
451.07268115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3936603752 (a.u.)
total exchange computation time: 2.6355469227 s
-154.2033500765
-931.43306513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3931874102 (a.u.)
total exchange computation time: 2.6364979744 s
-154.2082666486
Anderson extrapolation: theta=1.3835328911 (1.3835328911)
-931.43326473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3924044299 (a.u.)
total exchange computation time: 2.6345708370 s
-154.2159600246
Anderson extrapolation: theta=0.0649753419 (0.0649753419)
-931.43338886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3922552500 (a.u.)
total exchange computation time: 2.6371481419 s
-154.2171554787
Anderson extrapolation: theta=2.2272913283 (2.0000000000)
-931.43339521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3919321619 (a.u.)
total exchange computation time: 2.6359429359 s
-154.2196180665
Anderson extrapolation: theta=0.3575527509 (0.3575527509)
-931.43340314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3918206949 (a.u.)
total exchange computation time: 2.6355950832 s
-154.2203555261
Anderson extrapolation: theta=1.1947221617 (1.1947221617)
-931.43340521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3917172480 (a.u.)
total exchange computation time: 2.6372079849 s
-154.2209216474
Anderson extrapolation: theta=0.4651472888 (0.4651472888)
-931.43340695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3917003828 (a.u.)
total exchange computation time: 2.6348040104 s
-154.2208872450
Anderson extrapolation: theta=0.8853175178 (0.8853175178)
-931.43340760
-115.762373 23.302991 142.782221
559.325655 1031.929282 -412.717647
443.563282 1055.232273 -269.935426
1176.064909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3917093040 (a.u.)
total exchange computation time: 2.7655169964 s
679.25064632
-1084.22791766
89.71907043
-388.87046202
-174.91303575
78.51453245
551.60419304
0.00000000
-931.43340798
3.91546419 -30.74241858 -2.27204406
0.00006373 0.00004727 0.00001553
0.00106692 -0.01378109 -0.01110873
-11.73046461 -2.07535433 -9.17243482
0.00037717 0.00042740 -0.00005747
0.00678613 0.00688469 0.01735305
-37.44859196 2.46396954 -0.03702570
-0.00004446 0.00003313 0.00020613
-0.02072880 0.00329728 0.00877560
-11.57554771 -3.99524605 3.83399673
-0.00025699 -0.00009333 -0.00004296
0.00221691 -0.02960913 0.00413476
4.53639238 -3.86949271 9.42683668
-0.00041755 -0.00009141 -0.00025307
-0.01645585 -0.03396440 0.01225637
-31.88742943 -0.84169834 -0.60786635
-0.00003511 0.00065096 0.00021704
-0.01088637 -0.01687330 -0.00739351
14.88393354 12.59581261 -14.00981569
-0.00056304 0.00013292 -0.00003918
-0.02581391 0.00774150 -0.01394929
-7.70370850 5.92436210 2.50487167
0.00004199 0.00029566 0.00023495
-0.00353658 -0.02106377 -0.04356513
7.51045374 12.58693284 -5.63952391
0.00026924 0.00014340 -0.00033293
0.01863700 -0.00079445 0.00840244
8.89360203 9.83330340 -19.03747169
-0.00009659 0.00006290 0.00010313
0.01751887 0.00761004 0.00447690
23.32356170 17.33802876 -2.12167483
0.00020535 -0.00018210 -0.00004343
-0.01237752 0.01582769 -0.00405020
2.27518068 16.91071676 -19.31469661
0.00002604 0.00005615 -0.00059124
-0.01777649 -0.01696147 -0.00709009
14.06608190 -1.37655883 -5.38535041
-0.00018156 0.00028079 -0.00030037
-0.01005008 0.00352307 -0.02533980
-16.11278262 -1.73173616 3.22341425
0.00006736 0.00060858 -0.00018972
0.03515178 0.03437658 0.00825302
-16.94818291 -1.78907545 19.32756483
0.00017050 -0.00019312 -0.00040672
-0.02458461 0.01582263 -0.01594719
0.30817466 2.08409738 -5.07738330
0.00025278 -0.00018301 0.00023017
0.00564173 0.03555623 -0.00018523
22.43033365 -7.18604232 -8.95169783
0.00039406 0.00002426 0.00013114
0.01333225 0.00532797 0.00393033
-0.51783841 -6.43398714 7.24864158
-0.00025584 -0.00003544 -0.00000951
0.00164904 0.00430478 -0.00992066
-1.84190612 -1.42362185 -19.29745269
0.00023186 0.00018975 0.00000313
0.00897548 -0.04818926 0.00680395
3.32528028 2.19158745 -9.29542636
-0.00022189 -0.00022731 -0.00004661
-0.00388527 -0.00439894 0.02908046
-3.74581531 17.97683775 12.18694265
-0.00027577 -0.00019220 0.00017903
-0.00094052 0.02768805 0.01649491
-3.78230410 4.98971417 -11.23658431
-0.00023212 0.00000461 0.00027793
0.01308401 -0.00765295 -0.00751057
-8.12257885 3.17184304 -8.98186506
0.00030607 -0.00026445 -0.00007698
0.03942525 0.01674734 -0.01548985
2.04258693 27.34224851 8.48713573
0.00043410 0.00008055 0.00025708
-0.03028091 -0.00462211 0.02041589
9.98007660 -6.19130296 -1.96885710
-0.00026088 -0.00002900 0.00020054
0.00267906 0.00010033 0.00476703
-8.79671773 0.65829441 5.92099985
0.00003808 0.00024519 0.00017524
0.02693567 0.01222395 -0.01264840
20.40784445 10.71045600 8.84884653
-0.00013593 0.00028069 0.00011775
-0.00445401 0.00362598 -0.01301474
-2.61844972 -2.14995273 -27.17521945
0.00056836 0.00010869 -0.00012439
-0.01809141 0.00653793 -0.00729883
-14.29853242 6.07734201 7.52313327
-0.00000448 0.00003295 0.00026936
-0.00362170 0.00917034 -0.00248310
-9.80182917 7.22579258 -2.64342238
0.00041351 0.00010856 0.00024201
0.00340140 -0.00820801 0.02068360
-1.72284091 -15.76049466 23.90525541
-0.00020901 0.00024960 -0.00047288
-0.03331682 0.02244950 0.01627127
-2.60138834 6.33651921 -6.38952579
-0.00006057 -0.00013113 0.00018573
-0.01977012 0.01828849 -0.01117132
-20.23375809 31.09544377 4.49634114
0.00044047 0.00004070 -0.00024034
0.02038994 -0.00731416 0.00716572
7.57897978 0.02624779 8.04327914
0.00003708 -0.00003633 -0.00025944
0.00207038 0.01227614 0.00702678
5.53972412 11.33231287 -13.88705396
0.00018267 0.00029786 0.00020257
0.05857730 -0.01072277 0.06228738
15.74029184 3.06251486 -1.96762245
-0.00036406 -0.00039837 0.00001620
0.00843530 0.03616343 0.00318948
-4.17685822 13.60196103 -1.08560803
-0.00026193 -0.00008565 0.00030930
-0.01041730 -0.00585910 -0.01744774
4.55547150 12.60948308 3.27277497
0.00017773 -0.00026737 -0.00016551
0.01605914 0.00301528 -0.00601162
24.84186226 -11.75781526 -9.56185518
0.00008874 0.00017689 -0.00021578
-0.00245921 -0.01349895 0.01663215
16.41729437 -3.89202674 -0.39843968
0.00000354 0.00031890 -0.00010248
0.01798387 0.00535709 0.00033795
12.94439639 7.89772657 9.92242119
-0.00004113 0.00013556 0.00036805
0.00731898 -0.00315170 -0.00966884
1.64885873 -13.82937790 17.68156747
-0.00022272 -0.00014901 -0.00002414
0.00748621 -0.03220893 -0.00900362
-4.37650440 -0.68071429 -14.51573265
0.00028511 -0.00004062 0.00020471
-0.00935886 0.01412933 0.01777907
15.04640867 -8.08493996 -9.03184977
0.00016423 0.00039244 0.00006350
0.01524227 0.04229483 0.00526017
8.75494471 -6.66700767 8.57944524
-0.00039463 -0.00051243 0.00030252
-0.01922303 -0.00480236 0.02634543
-21.34238663 2.27698793 22.65408060
0.00008827 0.00012147 0.00024620
0.02164949 0.01334574 -0.04439391
25.82329295 -3.17899849 -7.84586504
-0.00016561 -0.00015039 -0.00032951
-0.00950911 0.01803077 0.00880142
9.83637507 -14.14159272 -7.75116929
-0.00000108 0.00007741 -0.00034582
-0.01571251 0.00052969 -0.00244775
-6.38061724 -12.20566705 16.77948601
-0.00047713 -0.00044544 0.00018412
-0.00379154 0.00605585 -0.00298684
8.22567926 3.45795735 -29.45009557
-0.00017938 0.00009858 0.00016817
-0.01102273 -0.00873676 -0.00436131
10.88319649 15.56171534 15.21382142
-0.00023733 -0.00038206 0.00023471
0.01517285 -0.01617752 -0.03423962
28.54128058 6.03957692 -3.05122759
0.00007893 -0.00001866 -0.00024466
-0.00954570 0.00603158 -0.03305833
5.34343296 -31.23508301 -3.34353777
0.00005189 0.00047433 0.00038118
0.00050828 -0.00358278 0.00430205
3.91731248 -31.67486134 -0.71442659
-0.00029438 -0.00007049 -0.00038540
0.00919382 -0.00036995 0.00854865
-11.66059479 -3.81409030 -8.57555856
0.00000695 -0.00027952 -0.00038216
-0.00177076 -0.00383542 0.00064648
-12.65114168 -2.11183031 -10.70276485
-0.00036839 0.00024297 -0.00006533
-0.00781630 0.00388074 -0.01856105
-38.98823777 2.13291482 1.00474580
-0.00050023 -0.00015056 -0.00004773
0.02507306 0.00342870 -0.01493904
-37.75527705 4.12759171 -0.95164104
-0.00008433 0.00056898 -0.00022148
-0.00040131 -0.02253117 0.01053159
-10.81197307 -5.72595229 3.55107716
0.00034314 -0.00093420 0.00033742
-0.00479275 0.02598584 0.00085754
-10.24997565 -2.78118487 3.62235035
-0.00054695 0.00074991 0.00000401
0.01064306 0.00305777 -0.00142437
5.33849330 -2.47965470 8.67845039
-0.00022588 -0.00019082 -0.00122495
0.01629573 0.03134538 -0.01314760
4.64118295 -3.53653165 11.22259216
0.00078486 -0.00024697 -0.00003092
-0.00428011 0.00014522 0.00608081
-33.33553983 -1.93557431 -0.80323536
-0.00019160 0.00067612 0.00003762
-0.00224580 -0.00535765 0.00302520
-32.59700394 0.54696267 0.25878936
-0.00014102 -0.00087005 0.00087786
-0.00865377 0.02294321 0.01183470
14.72973024 12.87065911 -15.87405746
-0.00047032 -0.00056552 0.00149914
0.00711693 -0.00415312 0.02091893
16.49629611 11.95120000 -13.55194641
0.00020995 -0.00061512 0.00105233
0.01849054 -0.00523496 -0.00491635
-8.56958931 7.04308020 1.27557743
-0.00061258 0.00005000 -0.00003633
0.00878092 -0.00720743 0.01696060
-7.32978024 4.49639888 1.21673136
-0.00047061 -0.00056257 -0.00039894
-0.00160142 0.02769010 0.02811527
6.12010382 12.37805623 -6.73893209
0.00041683 -0.00031427 0.00019150
-0.01455455 0.00174613 -0.01861789
8.92610807 13.64217951 -6.49462397
-0.00042196 -0.00036072 -0.00047790
-0.01568555 -0.00454693 0.00528061
8.71170771 8.95106772 -20.60640312
-0.00101830 -0.00059624 0.00014581
-0.00061133 -0.00408942 -0.00731234
10.60502331 10.63136693 -19.14988260
-0.00038141 0.00178009 -0.00036361
-0.01706974 -0.00550558 0.00161524
24.09240555 15.76640490 -2.68029290
-0.00083283 0.00017818 0.00027013
-0.00075380 -0.00995840 0.00226264
24.75827380 18.46066919 -2.40339035
0.00112090 -0.00121868 -0.00033676
-0.00449193 0.01155531 0.00666278
1.59962533 17.04839722 -21.08537503
-0.00044687 -0.00138423 0.00079750
0.00983331 0.00118037 0.01339097
2.77558275 15.08067721 -19.11808688
-0.00054311 -0.00039663 -0.00001692
0.00852746 0.02271909 -0.00340362
12.89526486 -1.13458577 -6.82943820
0.00008983 0.00183269 -0.00001199
0.01234808 -0.00824675 0.00888535
13.03448518 -1.22393666 -3.89878274
0.00087887 -0.00064289 0.00068613
-0.00087409 0.00420249 0.00704140
-17.40935887 -2.92963879 3.42301109
0.00026387 -0.00045560 -0.00052649
-0.01872024 -0.02908395 0.00019056
-14.42743775 -2.51856759 3.38465997
-0.00020358 -0.00033109 0.00094806
-0.01754426 -0.00618573 -0.00482545
-16.16244828 -0.20099829 19.81597687
0.00074243 -0.00054348 0.00018955
-0.00315094 0.01008135 0.01117825
-15.65809338 -2.97153139 19.40481830
0.00025085 -0.00013435 -0.00022349
0.03249175 -0.02891566 0.00789836
-0.76434843 0.61670224 -5.19632112
-0.00045756 0.00032002 -0.00033334
-0.01657873 -0.00946642 0.00538040
-0.78746667 3.60141996 -4.85303385
-0.00006906 -0.00023860 -0.00036773
0.00555890 -0.02227805 -0.00413240
23.31667232 -8.79969192 -9.31462558
-0.00002750 -0.00099613 -0.00031867
-0.00606047 0.01986147 0.00952281
23.63965606 -5.82863386 -8.45842227
-0.00011461 0.00088117 -0.00040179
-0.00674100 -0.02048059 -0.00626185
0.52519320 -5.89241933 5.79887934
-0.00024933 0.00039437 0.00038371
-0.00528114 -0.00364625 0.00856676
-0.28656361 -5.12941096 8.50286546
0.00084487 0.00025929 -0.00026793
0.00365259 -0.00612840 0.00190950
-1.03830835 -3.06809659 -18.71912291
-0.00023440 0.00024732 -0.00044322
-0.00897802 0.03543338 -0.00976362
-3.13217125 -2.12766670 -20.43350280
0.00030157 -0.00041663 -0.00064125
-0.00196045 0.01010391 0.00280295
2.80417829 2.34719975 -10.98849927
-0.00033567 -0.00070951 0.00059175
-0.00469966 0.00788263 -0.02834886
1.84258906 2.61297156 -8.23168645
0.00060654 0.00066432 -0.00018508
0.01382766 -0.00511760 0.00245146
-2.39058960 16.83268254 12.69077003
0.00044866 -0.00095224 -0.00017223
0.00646291 -0.01179803 -0.00468738
-3.46814764 19.37556459 13.43105934
0.00019251 0.00074433 0.00004687
-0.00923245 -0.02076426 -0.01257571
-4.43830504 6.34578104 -12.31476685
0.00000839 -0.00115969 0.00115697
0.00718703 -0.01430837 0.00191239
-2.96438011 3.58214219 -12.14928260
-0.00095925 0.00141294 -0.00014623
-0.01882357 0.01845137 -0.00068111
-7.76179691 2.25981139 -7.47309731
-0.00042378 -0.00042102 0.00031341
0.00007795 -0.00948343 0.01248628
-6.34506229 3.74110094 -9.48894951
-0.00005178 -0.00053907 0.00031091
-0.04418742 -0.00969389 0.00424496
2.04299093 28.26751745 6.92977008
0.00046758 0.00057143 -0.00025828
0.00491190 0.00653114 -0.01289676
0.30731025 27.65299834 9.10774197
0.00046116 0.00063627 0.00001745
0.02326590 -0.00112116 -0.00632065
10.82875218 -7.01292319 -0.53881112
-0.00065616 -0.00084861 -0.00087696
-0.00461280 0.00065200 -0.00620671
8.75956476 -7.39690375 -2.62242833
0.00002080 0.00041079 -0.00052966
0.00392897 0.00050669 0.00548975
-6.99244334 0.23023431 6.30953506
-0.00027493 0.00020596 -0.00004954
-0.01032783 0.00801489 -0.00315637
-9.50586926 -0.68091984 6.83116269
0.00126164 -0.00001729 -0.00043804
-0.02621116 -0.01902959 0.01835321
21.66662229 10.22866612 10.05316941
0.00045526 -0.00085842 -0.00054574
0.00688524 -0.00244131 0.01122709
20.85079624 12.45375183 8.42825055
0.00021735 -0.00097272 -0.00063459
-0.00150025 0.00342671 -0.00006321
-1.57227571 -3.34489858 -26.26739838
0.00059905 -0.00145429 -0.00032529
-0.00108819 -0.00441592 0.00703999
-4.39192461 -2.23250207 -26.57619761
-0.00063272 0.00019184 -0.00033397
0.02329247 -0.00085739 -0.00272083
-14.33157822 7.20404841 8.95870279
0.00027188 0.00046945 0.00006829
0.00087096 -0.00359438 0.00252198
-14.92958617 7.24257463 6.24024241
-0.00119261 0.00044576 0.00081863
0.00429386 -0.00769922 -0.00044252
-11.21174084 6.70838870 -3.64185776
-0.00019807 0.00060609 0.00015039
-0.00409728 0.00811743 -0.00880542
-8.69424557 8.29498461 -3.63279857
0.00012062 0.00051302 -0.00050603
-0.00099535 0.00124983 -0.01063971
-1.10348842 -17.45190176 23.45628223
-0.00049735 0.00040891 0.00009843
-0.00970984 -0.00284127 0.00199343
-3.55394655 -15.66176099 24.50716213
0.00106828 -0.00021594 -0.00066336
0.04344694 -0.01392361 -0.01926879
-2.97670432 5.61167540 -8.09189414
0.00088963 0.00046401 -0.00011355
0.00546403 0.01602972 0.01865003
-3.77314969 7.84820093 -6.18894494
-0.00019300 0.00003286 -0.00030527
0.01039603 -0.02918360 -0.00387998
-21.15649416 30.55778713 3.04229840
0.00015510 0.00037876 -0.00090089
-0.02317246 -0.01661199 -0.01329725
-21.30639548 32.23982230 5.37437508
0.00057522 -0.00116960 0.00000364
-0.01693925 0.00382657 0.01161248
7.01166202 -0.22215375 6.30104808
0.00035935 0.00106961 0.00042486
-0.00176665 0.00412008 -0.00563650
7.36095652 1.81610023 8.45482612
0.00040869 0.00047849 -0.00144551
-0.00127302 -0.01089880 -0.00945509
6.70228606 12.79594036 -13.60692785
0.00047871 0.00024052 -0.00094777
0.00188857 -0.01648012 -0.00300189
4.47617949 12.07971063 -14.99035114
-0.00016368 -0.00055450 0.00053337
-0.05223933 0.02665416 -0.05191985
14.48717084 3.94104301 -2.97659191
-0.00013135 -0.00056454 -0.00073498
0.00340726 0.00685979 0.00489978
15.20117772 1.39191115 -1.97782488
-0.00023075 -0.00043880 0.00029570
-0.00679857 -0.03851828 -0.00044480
-2.46079201 13.51249470 -0.53127987
-0.00000805 -0.00007745 0.00011521
0.00048446 -0.00624303 0.00926853
-5.41358423 12.98958788 0.16016512
-0.00021918 -0.00063165 0.00075046
0.01145501 0.00217609 0.00464729
3.77589867 10.93367322 3.52944103
-0.00044626 -0.00181029 -0.00012656
-0.00003131 -0.00103408 0.00278709
6.37060018 12.31004901 3.60108986
-0.00048519 -0.00022169 -0.00044495
-0.01180806 0.00026845 -0.00832646
25.29974045 -13.31144867 -8.68933975
0.00022246 0.00054407 0.00051414
-0.01159067 0.00822204 0.00352396
26.09547322 -11.60937280 -10.84295946
0.00130488 0.00022655 -0.00030876
0.01448684 0.00542215 -0.02781686
14.72440408 -4.07861714 -0.95375568
0.00046301 -0.00030673 0.00001869
-0.01134123 0.00486769 0.00115490
17.17660569 -5.50247720 -0.84598089
0.00016499 -0.00068959 -0.00035757
0.00329952 -0.00535367 0.00170841
11.98808268 8.04669926 11.45059232
0.00119018 -0.00046330 0.00004394
-0.00804687 -0.00366607 0.01730915
12.93509882 9.56969649 9.20516161
0.00081858 0.00017981 -0.00007871
0.00675538 0.01051883 -0.00399617
-0.02348048 -14.44722202 17.05242025
-0.00031960 0.00004652 0.00025200
0.01264951 0.01501622 0.00626961
1.74670644 -12.13613854 18.24881176
-0.00025832 -0.00083207 -0.00003116
-0.01136206 0.01528623 0.00135717
-4.05553878 -2.19047544 -13.55914233
0.00072639 -0.00110963 0.00027844
0.00152184 -0.00736546 0.00479844
-3.17358937 -0.52957896 -15.82960498
-0.00092119 0.00021496 0.00070884
0.01681645 -0.00709208 -0.02164557
14.31997578 -8.07450598 -10.69860301
-0.00111863 -0.00004337 0.00141148
-0.00411776 -0.01220815 -0.01586936
16.04380373 -6.39913597 -9.18956920
0.00106512 0.00091273 -0.00033787
-0.00739185 -0.03065036 0.00885059
7.23079745 -5.80040016 9.35266605
-0.00037494 0.00034118 0.00023996
0.02067396 -0.00175863 -0.02409229
9.36430566 -5.66907088 7.19022057
0.00015419 -0.00024717 -0.00023644
-0.00330516 0.00626006 -0.00331428
-20.98712965 2.17017222 20.76359613
-0.00083199 -0.00097322 0.00011740
-0.01179565 0.00002205 0.03621302
-21.75010409 0.60098972 23.19506994
0.00016302 0.00018197 0.00003436
-0.00953943 -0.01135091 0.00600624
26.40902059 -2.91055964 -6.11708156
0.00036487 -0.00023659 -0.00033167
0.00409333 -0.00189446 -0.00181899
25.16844447 -1.46374242 -8.18267817
-0.00012657 -0.00046756 -0.00007640
0.00610843 -0.00941876 -0.00511873
8.98072375 -15.81204681 -7.58756828
-0.00033919 -0.00031600 0.00001896
0.01755199 0.01265601 -0.00415236
8.62398543 -12.88987634 -7.14529470
0.00042005 -0.00004503 -0.00005775
0.01091633 -0.00325220 0.00126128
-5.57640314 -11.03789851 17.95030361
-0.00011957 0.00006269 0.00073612
-0.00219883 0.00342870 -0.00345262
-7.27460331 -11.18748328 15.50301404
-0.00073776 -0.00053482 0.00015812
0.01530737 -0.00391257 0.00855339
9.26169694 1.93982439 -29.45740401
-0.00129201 -0.00163215 0.00027173
-0.00490444 0.00512765 -0.00717620
6.82368615 3.22273862 -30.64456151
0.00023313 0.00023208 0.00071183
0.00231769 -0.00972408 0.00937081
12.59535724 14.86634062 14.65396863
0.00015550 0.00065197 -0.00074064
-0.00949198 0.00436435 -0.01174836
11.26317335 16.02026258 16.87810677
-0.00033406 -0.00020230 0.00098322
0.00053752 0.01501942 0.04228447
29.06804773 5.01364762 -4.52692908
0.00089867 -0.00032422 0.00012194
0.00258751 0.00286127 0.01506482
26.84204904 6.54319921 -3.62158078
0.00069107 -0.00043705 -0.00036694
0.00091818 0.00573694 0.01094749
-9.96242594 4.90164865 6.90168122
0.00003756 -0.00009629 -0.00019995
0.00027140 -0.00384802 -0.00712078
-8.67358698 13.25656868 2.58915553
-0.00004195 0.00007637 0.00002916
-0.00120844 -0.00109429 -0.00459649
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09417517
0.33923281
452.01071446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3892582483 (a.u.)
total exchange computation time: 2.6142389774 s
-154.1872690391
-931.43178211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3888696056 (a.u.)
total exchange computation time: 2.6151058674 s
-154.1918383449
Anderson extrapolation: theta=1.3964187974 (1.3964187974)
-931.43198119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3882259533 (a.u.)
total exchange computation time: 2.6130580902 s
-154.1990837763
Anderson extrapolation: theta=0.0713184388 (0.0713184388)
-931.43210688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3881040121 (a.u.)
total exchange computation time: 2.6120212078 s
-154.2002708364
Anderson extrapolation: theta=2.3358305057 (2.0000000000)
-931.43211384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3878448373 (a.u.)
total exchange computation time: 2.6164259911 s
-154.2027037317
Anderson extrapolation: theta=0.4082443138 (0.4082443138)
-931.43212253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3877498769 (a.u.)
total exchange computation time: 2.6130380630 s
-154.2035233708
Anderson extrapolation: theta=0.9610112576 (0.9610112576)
-931.43212476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3876868705 (a.u.)
total exchange computation time: 2.6130380630 s
-154.2039972907
Anderson extrapolation: theta=0.5304407742 (0.5304407742)
-931.43212624
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3876813980 (a.u.)
total exchange computation time: 2.6146531105 s
-154.2039560674
Anderson extrapolation: theta=0.7487929587 (0.7487929587)
-931.43212685
-115.718525 23.243534 142.820586
559.332259 1031.879879 -412.711521
443.613734 1055.123413 -269.890936
1175.976053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3876972301 (a.u.)
total exchange computation time: 2.6942899227 s
679.19255193
-1084.11403465
89.73062363
-388.94865283
-174.90491805
78.45319146
551.60419304
0.00000000
-931.43212721
3.91642419 -30.74176272 -2.27185403
0.00006392 0.00004058 0.00000964
-0.00032756 -0.01223096 -0.01176200
-11.72478083 -2.06891683 -9.17322998
0.00038012 0.00042993 -0.00004920
0.00468554 0.00298193 0.01481074
-37.44933889 2.46447915 -0.03389997
-0.00005547 0.00003543 0.00021037
-0.02205376 0.00564905 0.00771974
-11.57939398 -3.99676017 3.83336828
-0.00025501 -0.00010905 -0.00004095
0.00547108 -0.03152743 0.00368644
4.53006567 -3.87099481 9.42308795
-0.00042542 -0.00010793 -0.00024683
-0.01413631 -0.03029920 0.01201200
-31.88799802 -0.83199896 -0.60463929
-0.00004039 0.00064068 0.00021238
-0.00965303 -0.02310429 -0.01074146
14.87538838 12.59783620 -14.01045720
-0.00057372 0.00013546 -0.00004304
-0.01571572 0.00215646 -0.00106053
-7.70309236 5.92871576 2.50822782
0.00004001 0.00028429 0.00021162
-0.00413529 -0.02313938 -0.04714257
7.51456428 12.58908072 -5.64448548
0.00027875 0.00014262 -0.00032782
0.01832662 -0.00221838 0.01149686
8.89222076 9.83427620 -19.03590744
-0.00008732 0.00006678 0.00010486
0.01851939 0.00750140 0.00222718
23.32659426 17.33535837 -2.12234198
0.00019864 -0.00017270 -0.00004535
-0.01372575 0.02071382 -0.00341493
2.27550264 16.91149363 -19.32359256
0.00001755 0.00004659 -0.00059319
-0.01521288 -0.02022931 -0.00047832
14.06331974 -1.37233335 -5.38995369
-0.00018636 0.00028262 -0.00031279
-0.00863050 0.00356487 -0.02295622
-16.11163663 -1.72247483 3.22060031
0.00008467 0.00062473 -0.00018521
0.03216729 0.02840182 0.00926975
-16.94572031 -1.79191125 19.32140259
0.00015837 -0.00018504 -0.00041487
-0.02257718 0.01559400 -0.01575286
0.31198819 2.08148944 -5.07393151
0.00025531 -0.00016478 0.00023010
0.00419310 0.03530880 -0.00006299
22.43629598 -7.18565794 -8.94971558
0.00040096 0.00002628 0.00013290
0.01350845 0.00255706 0.00293263
-0.52166967 -6.43450213 7.24846073
-0.00025491 -0.00003279 -0.00001422
0.00198726 0.00601195 -0.00840330
-1.83839362 -1.42096153 -19.29737942
0.00023542 0.00016494 0.00000572
0.00488960 -0.04827596 0.00323165
3.32193693 2.18816088 -9.29601340
-0.00022285 -0.00022980 -0.00003092
0.00017290 -0.00527722 0.03195135
-3.74995549 17.97406155 12.18969166
-0.00027512 -0.00017831 0.00018828
0.00345419 0.02634276 0.01948065
-3.78573544 4.98975373 -11.23244426
-0.00022527 0.00000032 0.00027628
0.01354969 -0.00901892 0.00106585
-8.11783576 3.16794090 -8.98307946
0.00032568 -0.00025642 -0.00008420
0.03684338 0.01449257 -0.01259543
2.04898155 27.34343888 8.49107076
0.00041860 0.00007904 0.00026616
-0.02999234 -0.00121810 0.01489354
9.97617366 -6.19173758 -1.96583065
-0.00025979 -0.00002830 0.00020222
0.00159391 0.00262388 0.00177332
-8.79604256 0.66201938 5.92357961
0.00005206 0.00025239 0.00016807
0.02742084 0.01577472 -0.01521397
20.40578839 10.71468031 8.85056260
-0.00013824 0.00028065 0.00011179
-0.00454301 -0.00376342 -0.01017234
-2.60999412 -2.14829709 -27.17711349
0.00055844 0.00011089 -0.00012690
-0.02048950 0.00200252 -0.00244816
-14.29861358 6.07787170 7.52716409
-0.00000663 0.00003827 0.00026790
-0.00475621 0.01148355 -0.00318538
-9.79561340 7.22738931 -2.63971248
0.00041501 0.00010461 0.00025155
0.00244833 -0.00714482 0.01644009
-1.72610456 -15.75666406 23.89822495
-0.00022454 0.00026142 -0.00046495
-0.02708586 0.02352374 0.01456852
-2.60237322 6.33462274 -6.38678300
-0.00007077 -0.00012146 0.00018010
-0.01987446 0.01934086 -0.01071050
-20.22707244 31.09602609 4.49276372
0.00045112 0.00003548 -0.00023853
0.02103807 -0.01299864 -0.00012276
7.57954390 0.02575020 8.03941471
0.00003844 -0.00002919 -0.00025462
0.00324298 0.01550468 0.01171937
5.54269010 11.33673935 -13.88377518
0.00021311 0.00029192 0.00023487
0.05981812 -0.01237590 0.06332847
15.73486349 3.05667882 -1.96736716
-0.00035993 -0.00037976 0.00001767
0.00761248 0.03622145 0.00251481
-4.18082742 13.60065373 -1.08103582
-0.00026735 -0.00008891 0.00030093
-0.01064998 -0.00681585 -0.01511151
4.55819938 12.60548417 3.27026907
0.00018369 -0.00026767 -0.00016854
0.00712866 -0.00419859 -0.00575156
24.84318388 -11.75521399 -9.56502771
0.00008883 0.00017005 -0.00020861
0.00280569 -0.01310854 0.01123223
16.41741691 -3.88722253 -0.39997562
0.00001433 0.00032008 -0.00010257
0.02395433 -0.00076927 -0.00069625
12.94380774 7.89974787 9.92790457
-0.00003620 0.00013396 0.00036105
0.01184634 -0.00310304 -0.01752057
1.64554680 -13.83173733 17.68117062
-0.00021886 -0.00016676 -0.00002919
0.00751812 -0.03680646 -0.01062270
-4.37226386 -0.68126907 -14.51259344
0.00027888 -0.00003530 0.00021680
-0.01488060 0.00657208 0.02925127
15.04893095 -8.07889023 -9.03087694
0.00017291 0.00041472 0.00006745
0.01851259 0.04433349 0.01007006
8.74895114 -6.67471259 8.58408466
-0.00040431 -0.00051382 0.00031502
-0.01842936 -0.00062260 0.02225470
-21.34097910 2.27886146 22.65760233
0.00009934 0.00012822 0.00022325
0.02138504 0.01290734 -0.04482721
25.82077210 -3.18118479 -7.85077367
-0.00017013 -0.00014166 -0.00032460
-0.00807169 0.01591321 0.01025532
9.83629825 -14.14042947 -7.75636604
-0.00000920 0.00007662 -0.00034711
-0.01587297 -0.00361343 -0.00256379
-6.38778887 -12.21232535 16.78223630
-0.00047843 -0.00044138 0.00018344
-0.00126626 0.00975056 0.00034030
8.22294597 3.45940232 -29.44758983
-0.00018337 0.00009278 0.00016661
-0.00449234 -0.01380897 -0.00169266
10.87969505 15.55592202 15.21720995
-0.00022887 -0.00038963 0.00021849
0.01772994 -0.01327238 -0.02883713
28.54242774 6.03932028 -3.05502499
0.00007517 -0.00001594 -0.00026129
-0.00509455 0.00454134 -0.03162837
5.34422690 -31.22807792 -3.33768823
0.00005668 0.00045823 0.00039652
0.00183596 -0.00429833 0.00320658
3.91317853 -31.67593006 -0.71994561
-0.00025629 -0.00007427 -0.00034679
0.00945221 -0.00147851 0.01034919
-11.66054484 -3.81840068 -8.58127109
0.00000018 -0.00028792 -0.00038027
-0.00154083 -0.00027522 0.00027698
-12.65690702 -2.10806680 -10.70431354
-0.00039637 0.00025977 -0.00013470
-0.00588062 0.00433930 -0.01539699
-38.99497289 2.13076151 1.00357205
-0.00039579 -0.00013586 -0.00011010
0.02605252 0.00376821 -0.01559177
-37.75655424 4.13543605 -0.95464058
-0.00008534 0.00047149 -0.00017556
-0.00009506 -0.02519234 0.01195045
-10.80697286 -5.73916896 3.55616475
0.00032102 -0.00081926 0.00034128
-0.00603593 0.03027865 0.00103278
-10.25785378 -2.76984255 3.62236681
-0.00050738 0.00075700 -0.00000128
0.00872692 0.00041163 -0.00116572
5.33560441 -2.48155648 8.65967326
-0.00016384 -0.00007014 -0.00127386
0.01407714 0.02772679 -0.01079195
4.65282475 -3.54023181 11.22231477
0.00076691 -0.00024592 -0.00001015
-0.00450604 0.00037103 0.00408437
-33.33848263 -1.92559669 -0.80257834
-0.00019851 0.00065425 0.00004959
-0.00113897 -0.00534563 0.00283317
-32.59938446 0.53461502 0.27231987
-0.00018093 -0.00076428 0.00093339
-0.01088099 0.02883117 0.01534764
14.72289358 12.86204903 -15.85092927
-0.00044147 -0.00057993 0.00156771
0.00700209 -0.00289964 0.01264498
16.50001194 11.94181285 -13.53631212
0.00026587 -0.00062829 0.00102607
0.00888208 -0.00121344 -0.00793916
-8.57850897 7.04360929 1.27555220
-0.00057474 0.00001862 0.00003532
0.00974544 -0.00815117 0.01811340
-7.33688851 4.48880887 1.21160885
-0.00047784 -0.00044347 -0.00027948
-0.00193624 0.03061042 0.03035966
6.12591031 12.37339565 -6.73663003
0.00035244 -0.00030803 0.00011216
-0.01696568 0.00131031 -0.02022227
8.91929808 13.63662939 -6.50163064
-0.00048149 -0.00037647 -0.00045842
-0.01345529 -0.00316462 0.00425428
8.69641451 8.94199883 -20.60443999
-0.00101796 -0.00060875 0.00012181
0.00077850 -0.00203684 -0.00443959
10.59877908 10.65789959 -19.15528719
-0.00045538 0.00175320 -0.00035843
-0.01913961 -0.00765658 0.00091800
24.07988998 15.76877245 -2.67617167
-0.00083237 0.00012736 0.00027545
0.00097750 -0.01491781 0.00034533
24.77494969 18.44274306 -2.40823760
0.00110021 -0.00117123 -0.00030842
-0.00563786 0.01167485 0.00721234
1.59322366 17.02767000 -21.07300214
-0.00041109 -0.00137584 0.00083929
0.00768038 0.00292328 0.00706319
2.76769738 15.07542391 -19.11844503
-0.00050772 -0.00030087 -0.00003027
0.00879947 0.02415797 -0.00312754
12.89699065 -1.10734806 -6.82934572
0.00013723 0.00179786 0.00002368
0.01085534 -0.00880374 0.00857422
13.04764143 -1.23345123 -3.88827506
0.00087536 -0.00062526 0.00071110
-0.00084262 0.00442616 0.00518495
-17.40597446 -2.93736404 3.41511958
0.00019391 -0.00056551 -0.00052736
-0.01552392 -0.02471463 -0.00061731
-14.43102910 -2.52372345 3.39873305
-0.00027617 -0.00035319 0.00092722
-0.01798696 -0.00463427 -0.00537565
-16.15140845 -0.20884154 19.81916271
0.00072761 -0.00050269 0.00023483
-0.00410354 0.00988284 0.01098530
-15.65333493 -2.97443270 19.40170799
0.00038149 -0.00025175 -0.00019145
0.03145766 -0.02855298 0.00778349
-0.77171993 0.62121241 -5.20115636
-0.00052323 0.00028090 -0.00031128
-0.01556310 -0.00968064 0.00541624
-0.78833225 3.59715830 -4.85867642
-0.00004492 -0.00032883 -0.00038395
0.00625852 -0.02188859 -0.00380713
23.31607409 -8.81402519 -9.31911387
-0.00005423 -0.00090628 -0.00027750
-0.00702503 0.02411800 0.01063033
23.63773034 -5.81604387 -8.46464099
-0.00014093 0.00079471 -0.00042752
-0.00614238 -0.02184162 -0.00633127
0.52129148 -5.88661547 5.80489756
-0.00026992 0.00037854 0.00041559
-0.00479824 -0.00410265 0.00703759
-0.27377870 -5.12570946 8.49890508
0.00085844 0.00023173 -0.00026037
0.00299439 -0.00736034 0.00179143
-1.04209953 -3.06330108 -18.72607037
-0.00026788 0.00038828 -0.00048033
-0.00740839 0.03357225 -0.00840155
-3.12770775 -2.13360647 -20.44303567
0.00029815 -0.00037124 -0.00062538
0.00028631 0.01211064 0.00496636
2.79899926 2.33679868 -10.98049165
-0.00035755 -0.00067673 0.00046618
-0.00601404 0.00816235 -0.03312085
1.85211088 2.62277953 -8.23438752
0.00065751 0.00064419 -0.00017133
0.01112346 -0.00473370 0.00428111
-2.38366172 16.81803746 12.68804295
0.00046695 -0.00099186 -0.00019346
0.00249451 -0.00759928 -0.00570344
-3.46554286 19.38609329 13.43137704
0.00015454 0.00065249 -0.00000828
-0.00935380 -0.02419284 -0.01441992
-4.43795900 6.32794730 -12.29735364
0.00002916 -0.00120119 0.00115318
0.00298085 -0.00600883 -0.00377169
-2.97934574 3.60390175 -12.15149695
-0.00102809 0.00147447 -0.00015539
-0.01487155 0.01166690 -0.00380211
-7.76815118 2.25320542 -7.46801352
-0.00042381 -0.00045649 0.00035978
-0.00009162 -0.00787922 0.01021323
-6.34719302 3.73271783 -9.48415575
-0.00022659 -0.00057719 0.00032736
-0.04138559 -0.00896693 0.00380772
2.05015507 28.27628910 6.92550066
0.00048796 0.00059157 -0.00030093
0.00506763 0.00332736 -0.00797807
0.31494060 27.66250807 9.10781003
0.00055517 0.00063106 -0.00000750
0.02275412 -0.00142811 -0.00589433
10.81876836 -7.02563241 -0.55215576
-0.00067031 -0.00084895 -0.00089473
-0.00231197 -0.00081850 -0.00248794
8.75999723 -7.39072631 -2.63020503
0.00003421 0.00041082 -0.00050889
0.00263056 -0.00049463 0.00467687
-6.99688382 0.23356937 6.30869518
-0.00031194 0.00023946 -0.00006252
-0.00778764 0.00838098 -0.00319696
-9.48774782 -0.68176239 6.82515447
0.00114880 -0.00010331 -0.00035779
-0.02902403 -0.02307305 0.02093243
21.67366212 10.21571502 10.04532735
0.00047995 -0.00086584 -0.00050337
0.00520263 -0.00118919 0.00951194
20.85401055 12.43926610 8.41872974
0.00021481 -0.00094631 -0.00063672
0.00025427 0.00950005 -0.00097815
-1.56332333 -3.36684820 -26.27206193
0.00058671 -0.00146247 -0.00030292
-0.00495165 0.00040870 0.00390629
-4.40070170 -2.22965071 -26.58129054
-0.00052496 0.00018825 -0.00034874
0.02945833 -0.00090170 -0.00450870
-14.32747333 7.21098004 8.95980449
0.00027628 0.00045305 0.00007871
0.00128358 -0.00443180 0.00257532
-14.94734367 7.24902505 6.25250837
-0.00117317 0.00041100 0.00081821
0.00521965 -0.00931400 0.00023696
-11.21483745 6.71772885 -3.63987172
-0.00020994 0.00064061 0.00011873
-0.00171136 0.00877858 -0.00669039
-8.69246672 8.30271818 -3.64071499
0.00011336 0.00051421 -0.00054499
-0.00255994 -0.00066536 -0.00843342
-1.11124625 -17.44585518 23.45781980
-0.00053415 0.00039338 0.00010501
-0.00830409 -0.00476154 0.00122563
-3.53659105 -15.66542679 24.49662134
0.00123075 -0.00027071 -0.00073711
0.03608327 -0.01288370 -0.01683203
-2.96319244 5.61912676 -8.09302595
0.00091095 0.00052788 -0.00003898
0.00497380 0.01523564 0.01785493
-3.77572613 7.84779957 -6.19364289
-0.00014988 -0.00008711 -0.00032043
0.01070964 -0.02954111 -0.00354270
-21.15487771 30.56295951 3.02837758
0.00006541 0.00031323 -0.00094709
-0.02073219 -0.01546523 -0.00932026
-21.29828618 32.22239550 5.37478557
0.00049884 -0.00114570 0.00005717
-0.02045401 0.00787323 0.01458737
7.01699810 -0.20598339 6.30724832
0.00034902 0.00108211 0.00039012
-0.00329025 0.00199924 -0.01137256
7.36704787 1.82294368 8.43285370
0.00040428 0.00043200 -0.00148132
-0.00088517 -0.01186185 -0.00807514
6.70952464 12.79904320 -13.62123637
0.00048706 0.00017492 -0.00095941
0.00219595 -0.01563291 -0.00269591
4.47212354 12.07220997 -14.98394158
-0.00038019 -0.00044412 0.00031856
-0.05374402 0.02737281 -0.05322983
14.48530499 3.93278516 -2.98746646
-0.00011580 -0.00053794 -0.00071312
0.00420538 0.00616037 0.00579831
15.19750811 1.38414884 -1.97340297
-0.00025825 -0.00059415 0.00029402
-0.00666010 -0.03752733 -0.00038141
-2.46089785 13.51114170 -0.52926775
-0.00000886 -0.00010281 0.00015193
-0.00088143 -0.00617099 0.00870564
-5.41652095 12.98017987 0.17156442
-0.00016931 -0.00062053 0.00076565
0.01295882 0.00326598 0.00278660
3.76920378 10.90648711 3.52762800
-0.00043854 -0.00179691 -0.00011699
0.00380940 0.00758805 0.00189950
6.36296053 12.30673184 3.59416041
-0.00052400 -0.00022182 -0.00047709
-0.00718866 -0.00033039 -0.00740535
25.30272222 -13.30303573 -8.68151967
0.00017495 0.00057809 0.00052805
-0.01166560 0.00843257 0.00328597
26.11549029 -11.60580844 -10.84844330
0.00135314 0.00024750 -0.00041124
0.00913957 0.00483427 -0.02234515
14.73100164 -4.08306898 -0.95344001
0.00040927 -0.00028716 0.00002174
-0.01496084 0.00471142 0.00034098
17.17918157 -5.51298517 -0.85129209
0.00017344 -0.00069920 -0.00034672
0.00083937 0.00065346 0.00360144
12.00568887 8.03963739 11.45178190
0.00114915 -0.00047541 0.00012677
-0.01203890 -0.00226136 0.02323330
12.94758458 9.57271601 9.20385854
0.00084497 0.00021965 -0.00009199
0.00616056 0.00898282 -0.00250575
-0.02788694 -14.44606404 17.05639241
-0.00026870 0.00010682 0.00027715
0.01226937 0.01450186 0.00603934
1.74248348 -12.14815120 18.24838597
-0.00030381 -0.00075900 -0.00002195
-0.01090474 0.02048359 0.00315247
-4.04459630 -2.20734562 -13.55481874
0.00072965 -0.00112605 0.00028964
0.00007313 -0.00067206 0.00068546
-3.18689194 -0.52657184 -15.81963564
-0.00083868 0.00018767 0.00060573
0.02357242 -0.00626968 -0.02882652
14.30307012 -8.07553067 -10.67791714
-0.00113844 -0.00009166 0.00133718
-0.00557955 -0.01142843 -0.02050162
16.05955396 -6.38638427 -9.19436608
0.00103088 0.00078263 -0.00030274
-0.00936527 -0.03303221 0.00834911
7.22580680 -5.79533637 9.35552718
-0.00028869 0.00033166 0.00014038
0.02154597 -0.00290035 -0.02465223
9.36651730 -5.67258658 7.18657247
0.00013691 -0.00022809 -0.00024100
-0.00515788 0.00308085 0.00107956
-20.99997094 2.15557460 20.76646682
-0.00087890 -0.00097058 0.00026390
-0.01116725 0.00127076 0.03549831
-21.74795107 0.60337143 23.19576945
0.00012347 0.00013424 0.00006116
-0.00982352 -0.01201226 0.00711054
26.41461912 -2.91416647 -6.12211233
0.00038058 -0.00024452 -0.00034111
0.00359380 -0.00198994 -0.00280054
25.16673309 -1.47104440 -8.18398108
-0.00010358 -0.00050133 -0.00009815
0.00514663 -0.00711197 -0.00552842
8.97617375 -15.81639894 -7.58741117
-0.00026424 -0.00025873 0.00000122
0.01913496 0.01537691 -0.00453043
8.63062070 -12.89065151 -7.14612228
0.00046190 -0.00005550 -0.00005143
0.00957117 -0.00187219 0.00183268
-5.57826410 -11.03685314 17.96123966
-0.00013410 0.00006935 0.00071405
-0.00491273 -0.00016549 -0.00735466
-7.28520061 -11.19562548 15.50564790
-0.00067467 -0.00055051 0.00019391
0.01557313 -0.00376728 0.00896559
9.24216652 1.91549927 -29.45354795
-0.00131713 -0.00160105 0.00024335
-0.00739164 0.01009804 -0.00671508
6.82725419 3.22592184 -30.63359686
0.00023446 0.00019233 0.00074347
-0.00166838 -0.00973257 0.00611562
12.59739883 14.87625392 14.64249906
0.00011533 0.00067023 -0.00078507
-0.01017108 0.00457353 -0.01000333
11.25817896 16.01768825 16.89415083
-0.00033398 -0.00014578 0.00114072
-0.00049905 0.01264888 0.03481273
29.08160705 5.00887195 -4.52463837
0.00090798 -0.00031180 0.00018387
0.00196979 0.00322161 0.01525159
26.85244328 6.53681919 -3.62674935
0.00068711 -0.00041177 -0.00032498
-0.00285954 0.00663804 0.00959137
-9.96186174 4.90019394 6.89866286
0.00003765 -0.00009758 -0.00020248
0.00022043 -0.00337123 -0.00703595
-8.67421827 13.25771238 2.58958498
-0.00004224 0.00007612 0.00002806
-0.00131207 -0.00105981 -0.00491446
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09349475
0.33863246
451.21078128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3861340323 (a.u.)
total exchange computation time: 2.6164529324 s
-154.1712831973
-931.42982558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3857045205 (a.u.)
total exchange computation time: 2.6179809570 s
-154.1759255110
Anderson extrapolation: theta=1.3836203142 (1.3836203142)
-931.43002252
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3849695174 (a.u.)
total exchange computation time: 2.6176750660 s
-154.1834382752
Anderson extrapolation: theta=0.0659189517 (0.0659189517)
-931.43014619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3848129406 (a.u.)
total exchange computation time: 2.6192018986 s
-154.1847920474
Anderson extrapolation: theta=2.2027336403 (2.0000000000)
-931.43015286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3844715181 (a.u.)
total exchange computation time: 2.6186909676 s
-154.1876495992
Anderson extrapolation: theta=0.3265987287 (0.3265987287)
-931.43016160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3843609218 (a.u.)
total exchange computation time: 2.6187400818 s
-154.1885016591
Anderson extrapolation: theta=1.1593367696 (1.1593367696)
-931.43016391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3842593749 (a.u.)
total exchange computation time: 2.6150751114 s
-154.1892187333
Anderson extrapolation: theta=0.4168194808 (0.4168194808)
-931.43016606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3842449319 (a.u.)
total exchange computation time: 2.6176290512 s
-154.1892569226
Anderson extrapolation: theta=0.9128151091 (0.9128151091)
-931.43016687
-115.677362 23.179266 142.863362
559.337700 1031.829853 -412.704784
443.660338 1055.009119 -269.841422
1175.879726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3842528876 (a.u.)
total exchange computation time: 2.6756160259 s
679.13703127
-1084.00772899
89.74236502
-389.02079396
-174.89678790
78.39708189
551.60419304
0.00000000
-931.43016745
3.91738166 -30.74120123 -2.27175474
0.00006338 0.00003465 0.00000351
-0.00177249 -0.01082745 -0.01208019
-11.71906090 -2.06245633 -9.17391087
0.00038188 0.00043049 -0.00004238
0.00214682 -0.00082793 0.01171685
-37.45025595 2.46503234 -0.03071469
-0.00006695 0.00003885 0.00021403
-0.02261907 0.00765934 0.00653351
-11.58319803 -3.99851751 3.83276828
-0.00025139 -0.00012549 -0.00003914
0.00860491 -0.03239701 0.00333803
4.52362992 -3.87273066 9.41943189
-0.00043193 -0.00012232 -0.00024085
-0.01120130 -0.02564369 0.01122629
-31.88864109 -0.82247783 -0.60149509
-0.00004515 0.00062749 0.00020613
-0.00885504 -0.02821977 -0.01353792
14.86672197 12.59987644 -14.01110688
-0.00057931 0.00013513 -0.00003987
-0.00601281 -0.00342837 0.01340242
-7.70250813 5.93289090 2.51122028
0.00003775 0.00027196 0.00018673
-0.00467093 -0.02484005 -0.04963146
7.51881621 12.59121148 -5.64935837
0.00028781 0.00014103 -0.00032123
0.01689636 -0.00396023 0.01411406
8.89098236 9.83530687 -19.03432601
-0.00007768 0.00007053 0.00010539
0.01899282 0.00708257 -0.00015806
23.32952093 17.33284779 -2.12303546
0.00019129 -0.00016082 -0.00004695
-0.01484701 0.02546038 -0.00279641
2.27570724 16.91211443 -19.33249219
0.00001046 0.00003550 -0.00059159
-0.01236900 -0.02290867 0.00670286
14.06049100 -1.36808035 -5.39473406
-0.00019042 0.00028443 -0.00032382
-0.00713222 0.00349241 -0.01993114
-16.11024247 -1.71299438 3.21785789
0.00010018 0.00063761 -0.00018017
0.02814138 0.02170318 0.01034719
-16.94343189 -1.79462676 19.31511882
0.00014766 -0.00017731 -0.00042284
-0.01905292 0.01449241 -0.01526606
0.31583406 2.07915389 -5.07048020
0.00025706 -0.00014697 0.00023006
0.00259322 0.03396162 -0.00009371
22.44236253 -7.18525383 -8.94771069
0.00040779 0.00002695 0.00013416
0.01303240 0.00003828 0.00194101
-0.52548560 -6.43497074 7.24821505
-0.00025383 -0.00002929 -0.00001810
0.00218486 0.00757917 -0.00668605
-1.83484340 -1.41867364 -19.29728122
0.00023686 0.00014037 0.00000643
0.00068543 -0.04727504 -0.00043596
3.31859491 2.18469360 -9.29635395
-0.00022173 -0.00023273 -0.00001414
0.00416665 -0.00614904 0.03330101
-3.75406903 17.97148858 12.19259096
-0.00027225 -0.00016525 0.00019889
0.00771020 0.02440825 0.02178490
-3.78906225 4.98972372 -11.22829598
-0.00021819 -0.00000467 0.00027929
0.01399010 -0.01037391 0.01063434
-8.11280844 3.16415056 -8.98439102
0.00034369 -0.00024969 -0.00008975
0.03318017 0.01164609 -0.00899827
2.05514479 27.34461985 8.49512068
0.00040344 0.00007928 0.00027232
-0.02895990 0.00211978 0.00903526
9.97228302 -6.19215196 -1.96279053
-0.00025926 -0.00002626 0.00020235
0.00043719 0.00531363 -0.00128121
-8.79515585 0.66586604 5.92604199
0.00006599 0.00026111 0.00015980
0.02672697 0.01814537 -0.01696247
20.40369727 10.71887559 8.85220019
-0.00014054 0.00027680 0.00010739
-0.00440683 -0.01121544 -0.00694970
-2.60169658 -2.14662601 -27.17902642
0.00054750 0.00011077 -0.00012704
-0.02206025 -0.00246248 0.00191814
-14.29873143 6.07848999 7.53117034
-0.00000936 0.00004471 0.00026611
-0.00582883 0.01359405 -0.00376632
-9.78937874 7.22893092 -2.63587574
0.00041600 0.00010123 0.00025887
0.00138109 -0.00600206 0.01201833
-1.72957716 -15.75265198 23.89130688
-0.00023644 0.00027371 -0.00045804
-0.01918325 0.02426796 0.01230504
-2.60351143 6.33287547 -6.38412283
-0.00008090 -0.00011133 0.00017481
-0.01951193 0.02005595 -0.00987014
-20.22022449 31.09650813 4.48918535
0.00046190 0.00002745 -0.00024048
0.02089180 -0.01821042 -0.00745607
7.58013303 0.02537222 8.03564069
0.00004041 -0.00002049 -0.00024746
0.00440433 0.01829250 0.01611474
5.54611755 11.34107035 -13.88000784
0.00024340 0.00028553 0.00026695
0.05793987 -0.01246450 0.06141847
15.72949387 3.05112221 -1.96709246
-0.00035632 -0.00036155 0.00001880
0.00643547 0.03456873 0.00190326
-4.18487878 13.59929384 -1.07658018
-0.00027280 -0.00009264 0.00029374
-0.01052256 -0.00771932 -0.01282278
4.56098226 12.60145287 3.26771880
0.00018507 -0.00027142 -0.00017148
-0.00175944 -0.01035315 -0.00569016
24.84452715 -11.75271384 -9.56811358
0.00009166 0.00016349 -0.00020430
0.00820871 -0.01237796 0.00555208
16.41772424 -3.88242425 -0.40151692
0.00002799 0.00031822 -0.00010321
0.02916861 -0.00648444 -0.00175857
12.94331049 7.90174523 9.93325279
-0.00002905 0.00013246 0.00035013
0.01594543 -0.00272394 -0.02495592
1.64229288 -13.83438071 17.68069183
-0.00021490 -0.00018662 -0.00003497
0.00790336 -0.04041695 -0.01184472
-4.36813812 -0.68177316 -14.50922858
0.00026999 -0.00003377 0.00023453
-0.01965607 -0.00062503 0.03969095
15.05159604 -8.07249848 -9.02982641
0.00018313 0.00043785 0.00007368
0.02120305 0.04561436 0.01416116
8.74281539 -6.68242232 8.58889577
-0.00041342 -0.00051313 0.00032536
-0.01700112 0.00330468 0.01797566
-21.33940658 2.28083457 22.66077823
0.00011017 0.00013460 0.00020037
0.02074615 0.01189922 -0.04416752
25.81818897 -3.18324832 -7.85560318
-0.00017388 -0.00013411 -0.00031897
-0.00651096 0.01345866 0.01166196
9.83609897 -14.13929408 -7.76158257
-0.00001728 0.00007380 -0.00034850
-0.01551728 -0.00736687 -0.00283055
-6.39497027 -12.21890843 16.78498921
-0.00047843 -0.00043554 0.00018447
0.00129721 0.01296512 0.00365527
8.22017803 3.46074076 -29.44509715
-0.00018404 0.00008445 0.00016647
0.00190165 -0.01859749 0.00113389
10.87633039 15.55002631 15.22037600
-0.00021910 -0.00039562 0.00020531
0.02025440 -0.01000313 -0.02241673
28.54353560 6.03909869 -3.05906640
0.00007371 -0.00001395 -0.00027707
-0.00057936 0.00320162 -0.02971632
5.34513336 -31.22133626 -3.33164217
0.00006701 0.00043923 0.00040725
0.00322172 -0.00500075 0.00204540
3.90962388 -31.67708938 -0.72483037
-0.00021721 -0.00008224 -0.00030136
0.00967378 -0.00242370 0.01189240
-11.66058932 -3.82272793 -8.58696664
-0.00000563 -0.00028196 -0.00037983
-0.00130309 0.00319448 -0.00006085
-12.66303276 -2.10403735 -10.70680586
-0.00041577 0.00027841 -0.00019016
-0.00361753 0.00478548 -0.01175094
-39.00011135 2.12883914 1.00144273
-0.00028873 -0.00012012 -0.00017417
0.02635200 0.00393659 -0.01576883
-37.75783727 4.14173645 -0.95690772
-0.00008524 0.00036427 -0.00012445
0.00014492 -0.02729335 0.01306659
-10.80234257 -5.75052997 3.56131565
0.00029442 -0.00068851 0.00034563
-0.00698528 0.03372148 0.00109497
-10.26519706 -2.75847500 3.62231183
-0.00047604 0.00075295 -0.00000542
0.00661237 -0.00239237 -0.00085985
5.33357825 -2.48175899 8.64023472
-0.00011196 0.00003386 -0.00131184
0.01131394 0.02318359 -0.00780033
4.66419038 -3.54390922 11.22228769
0.00074798 -0.00024401 0.00000218
-0.00476235 0.00056241 0.00195078
-33.34149522 -1.91594667 -0.80174768
-0.00020094 0.00063255 0.00006078
-0.00005059 -0.00527897 0.00264427
-32.60243184 0.52403431 0.28679097
-0.00022898 -0.00063681 0.00100213
-0.01264202 0.03356690 0.01830256
14.71648605 12.85326124 -15.82702611
-0.00041365 -0.00058869 0.00159602
0.00661985 -0.00139104 0.00121162
16.50427213 11.93235133 -13.52116440
0.00028353 -0.00062530 0.00098736
-0.00023415 0.00267608 -0.01100622
-8.58683136 7.04363883 1.27663707
-0.00053351 -0.00001581 0.00011088
0.01043629 -0.00870383 0.01887538
-7.34411545 4.48309486 1.20834697
-0.00048603 -0.00031393 -0.00015211
-0.00207403 0.03279870 0.03199106
6.13067704 12.36881536 -6.73556733
0.00027980 -0.00030338 0.00002759
-0.01859301 0.00096686 -0.02117275
8.91166347 13.63088533 -6.50837658
-0.00053132 -0.00038618 -0.00044352
-0.01094031 -0.00158841 0.00303916
8.68116903 8.93280510 -20.60274894
-0.00101187 -0.00061263 0.00010977
0.00220232 0.00013893 -0.00144989
10.59136185 10.68396301 -19.16063552
-0.00053686 0.00171786 -0.00035603
-0.02074284 -0.00964585 0.00025606
24.06743431 15.77022575 -2.67202927
-0.00082505 0.00005678 0.00027313
0.00261035 -0.01963016 -0.00148374
24.79128006 18.42553244 -2.41264282
0.00107470 -0.00112354 -0.00027790
-0.00684903 0.01166516 0.00772510
1.58729269 17.00712193 -21.06019637
-0.00038488 -0.00136054 0.00085388
0.00514849 0.00456717 0.00007799
2.76035129 15.07165117 -19.11899485
-0.00047100 -0.00020017 -0.00004236
0.00917089 0.02513642 -0.00279435
12.89938172 -1.08064988 -6.82872777
0.00017803 0.00176094 0.00005755
0.00911739 -0.00926950 0.00800583
13.06074603 -1.24269453 -3.87744961
0.00087232 -0.00060669 0.00072777
-0.00064646 0.00466581 0.00297116
-17.40354146 -2.94660395 3.40719024
0.00013829 -0.00065598 -0.00053173
-0.01170251 -0.01957301 -0.00152077
-14.43572280 -2.52916333 3.41247667
-0.00034982 -0.00036912 0.00090418
-0.01806385 -0.00316168 -0.00590471
-16.14062012 -0.21607912 19.82302179
0.00070874 -0.00046329 0.00027912
-0.00512904 0.00940512 0.01069669
-15.64664856 -2.97908392 19.39907469
0.00050511 -0.00036501 -0.00016009
0.02905558 -0.02688965 0.00756938
-0.78004523 0.62512929 -5.20565967
-0.00058379 0.00024193 -0.00028900
-0.01408412 -0.00939531 0.00549257
-0.78881427 3.59155517 -4.86455233
-0.00001852 -0.00041640 -0.00039866
0.00666436 -0.02098002 -0.00339455
23.31504532 -8.82688036 -9.32295068
-0.00008418 -0.00080054 -0.00023221
-0.00763454 0.02764367 0.01153956
23.63542818 -5.80479246 -8.47124773
-0.00016424 0.00070361 -0.00045323
-0.00527085 -0.02275463 -0.00625699
0.51709568 -5.88106304 5.81134709
-0.00028823 0.00036105 0.00044076
-0.00416803 -0.00445856 0.00528351
-0.26081027 -5.12245905 8.49505449
0.00086931 0.00019925 -0.00025319
0.00232424 -0.00854079 0.00172328
-1.04634474 -3.05644805 -18.73353273
-0.00029419 0.00051984 -0.00051130
-0.00546874 0.03082279 -0.00676077
-3.12322670 -2.13880402 -20.45226418
0.00030338 -0.00031798 -0.00060106
0.00227377 0.01396424 0.00693686
2.79345165 2.32689785 -10.97451389
-0.00038412 -0.00064306 0.00032384
-0.00699234 0.00832040 -0.03655692
1.86231442 2.63229740 -8.23682621
0.00069690 0.00062593 -0.00014981
0.00815504 -0.00420534 0.00624836
-2.37658096 16.80292665 12.68496634
0.00046928 -0.00101447 -0.00021864
-0.00135837 -0.00346748 -0.00662649
-3.46351134 19.39513931 13.43081101
0.00011628 0.00054798 -0.00006986
-0.00937638 -0.02696827 -0.01572578
-4.43743027 6.30974531 -12.28017157
0.00003189 -0.00120731 0.00112523
-0.00164355 0.00301175 -0.00990741
-2.99522279 3.62637634 -12.15394432
-0.00107991 0.00150683 -0.00017837
-0.01049384 0.00417466 -0.00744858
-7.77451106 2.24611657 -7.46230379
-0.00042460 -0.00048489 0.00039601
-0.00029594 -0.00602027 0.00752011
-6.35186011 3.72378517 -9.47912863
-0.00038773 -0.00061169 0.00034151
-0.03749034 -0.00791909 0.00311679
2.05762979 28.28526467 6.92074231
0.00050897 0.00059849 -0.00032329
0.00521496 0.00005976 -0.00296872
0.32396546 27.67193027 9.10751684
0.00064568 0.00062485 -0.00003021
0.02155108 -0.00161305 -0.00521905
10.80864285 -7.03839178 -0.56565288
-0.00067478 -0.00085563 -0.00089702
0.00012360 -0.00245157 0.00136723
8.76059092 -7.38457919 -2.63769510
0.00004218 0.00040671 -0.00049160
0.00127383 -0.00151504 0.00378987
-7.00180156 0.23741806 6.30765938
-0.00033795 0.00027418 -0.00007545
-0.00494179 0.00861562 -0.00313296
-9.47140515 -0.68401900 6.82042912
0.00102618 -0.00020320 -0.00026885
-0.03099889 -0.02582818 0.02260053
21.68102080 10.20269104 10.03806825
0.00049710 -0.00086781 -0.00046850
0.00319246 0.00022528 0.00755892
20.85724044 12.42536259 8.40914899
0.00021956 -0.00089522 -0.00064279
0.00207345 0.01550628 -0.00199595
-1.55467441 -3.38877277 -26.27648608
0.00055912 -0.00145106 -0.00029303
-0.00855175 0.00517987 0.00093870
-4.40767340 -2.22685462 -26.58665980
-0.00039413 0.00018444 -0.00037010
0.03458245 -0.00096329 -0.00594939
-14.32328977 7.21764006 8.96106402
0.00028235 0.00043331 0.00008931
0.00168860 -0.00523133 0.00261523
-14.96478127 7.25490466 6.26478884
-0.00115006 0.00036996 0.00082034
0.00609464 -0.01077504 0.00080464
-11.21803894 6.72760701 -3.63829571
-0.00021192 0.00067773 0.00009586
0.00073924 0.00939004 -0.00450499
-8.69084476 8.31041096 -3.64914827
0.00009981 0.00050753 -0.00057475
-0.00407513 -0.00260576 -0.00613296
-1.11951301 -17.44010042 23.45943249
-0.00056511 0.00037030 0.00010845
-0.00684968 -0.00653624 0.00045713
-3.51702415 -15.66988218 24.48504898
0.00135979 -0.00032091 -0.00079967
0.02708272 -0.01169218 -0.01379203
-2.94937574 5.62751185 -8.09306350
0.00093014 0.00058800 0.00003136
0.00441640 0.01419361 0.01657824
-3.77764622 7.84558775 -6.19855797
-0.00010623 -0.00020744 -0.00033402
0.01065872 -0.02936305 -0.00310594
-21.15453186 30.56718409 3.01388555
-0.00001372 0.00025269 -0.00097606
-0.01800053 -0.01417049 -0.00485967
-21.29143043 32.20545121 5.37609006
0.00040906 -0.00110655 0.00012208
-0.02349248 0.01129423 0.01718991
7.02213254 -0.18969051 6.31275159
0.00033254 0.00108597 0.00033209
-0.00477421 -0.00010820 -0.01702987
7.37308497 1.82906016 8.41038639
0.00040138 0.00038235 -0.00151112
-0.00053751 -0.01244198 -0.00651025
6.71689780 12.80118796 -13.63571012
0.00049685 0.00011336 -0.00096979
0.00259900 -0.01450209 -0.00238467
4.46477383 12.06638689 -14.98079427
-0.00059688 -0.00033455 0.00010437
-0.05232886 0.02626348 -0.05162048
14.48369687 3.92490486 -2.99798565
-0.00009721 -0.00051420 -0.00068771
0.00489512 0.00545867 0.00664263
15.19343034 1.37408662 -1.96900442
-0.00028420 -0.00074203 0.00029251
-0.00604218 -0.03486057 -0.00035451
-2.46105772 13.50941050 -0.52672209
-0.00001544 -0.00012780 0.00018620
-0.00234016 -0.00606457 0.00807052
-5.41866347 12.97097201 0.18313450
-0.00011380 -0.00060509 0.00077347
0.01421067 0.00429092 0.00104533
3.76274234 10.87976605 3.52593139
-0.00041622 -0.00175039 -0.00011067
0.00712054 0.01518092 0.00119308
6.35488030 12.30339442 3.58677712
-0.00054301 -0.00022454 -0.00050531
-0.00212015 -0.00099985 -0.00640964
25.30498906 -13.29410598 -8.67349820
0.00012738 0.00061251 0.00054114
-0.01162358 0.00841877 0.00311977
26.13606750 -11.60194781 -10.85529658
0.00137903 0.00026593 -0.00049105
0.00353029 0.00418880 -0.01672554
14.73668231 -4.08723206 -0.95310344
0.00034193 -0.00026824 0.00002182
-0.01800329 0.00455004 -0.00030436
17.18180890 -5.52345309 -0.85638257
0.00017221 -0.00068509 -0.00032841
-0.00144298 0.00625234 0.00536286
12.02255724 8.03243694 11.45439535
0.00109273 -0.00048192 0.00023269
-0.01557789 -0.00092729 0.02861633
12.96044790 9.57628605 9.20240190
0.00086881 0.00025265 -0.00009888
0.00550972 0.00717009 -0.00086505
-0.03154145 -14.44401729 17.06073470
-0.00022009 0.00016462 0.00030107
0.01152658 0.01379092 0.00567073
1.73759222 -12.15890850 18.24815338
-0.00034741 -0.00066619 -0.00000585
-0.01043744 0.02494808 0.00472739
-4.03364934 -2.22425698 -13.55045313
0.00072709 -0.00111578 0.00028461
-0.00132699 0.00569956 -0.00314764
-3.19874985 -0.52394897 -15.81143297
-0.00073019 0.00016362 0.00047475
0.02953677 -0.00550334 -0.03528976
14.28582251 -8.07725576 -10.65848774
-0.00116369 -0.00013671 0.00124555
-0.00678005 -0.01062583 -0.02434943
16.07473024 -6.37565698 -9.19865128
0.00098922 0.00064426 -0.00026979
-0.01103091 -0.03470378 0.00777929
7.22213663 -5.79045033 9.35687746
-0.00019994 0.00031790 0.00003928
0.02190008 -0.00383643 -0.02483907
9.36841284 -5.67591348 7.18299053
0.00011222 -0.00022190 -0.00022788
-0.00692820 -0.00005491 0.00534145
-21.01349663 2.14105486 20.77151307
-0.00092290 -0.00096292 0.00040573
-0.01037049 0.00247641 0.03392808
-21.74640009 0.60501696 23.19690473
0.00008305 0.00008504 0.00009213
-0.00995821 -0.01207163 0.00804824
26.42043791 -2.91789526 -6.12731474
0.00039424 -0.00025277 -0.00035444
0.00309302 -0.00204823 -0.00372606
25.16533713 -1.47878224 -8.18562280
-0.00008474 -0.00052508 -0.00012161
0.00407532 -0.00451755 -0.00595541
8.97279647 -15.81980868 -7.58753170
-0.00018354 -0.00019145 -0.00001794
0.02036739 0.01755588 -0.00485011
8.63784256 -12.89154142 -7.14683754
0.00049790 -0.00006002 -0.00004258
0.00804781 -0.00034124 0.00249671
-5.58042614 -11.03581791 17.97172497
-0.00015927 0.00006186 0.00067668
-0.00740593 -0.00350410 -0.01093584
-7.29484349 -11.20399856 15.50883122
-0.00061100 -0.00056517 0.00023073
0.01559627 -0.00340739 0.00905993
9.22218310 1.89179302 -29.45010343
-0.00135159 -0.00155024 0.00021686
-0.00947858 0.01477004 -0.00625214
6.83071998 3.22850859 -30.62225740
0.00021907 0.00015260 0.00076149
-0.00586451 -0.00971751 0.00270746
12.59881707 14.88644751 14.63041641
0.00007259 0.00068927 -0.00082217
-0.01074707 0.00474700 -0.00815692
11.25315398 16.01588912 16.91232842
-0.00033840 -0.00009953 0.00126563
-0.00166454 0.00998987 0.02633216
29.09528708 5.00429372 -4.52141295
0.00091483 -0.00029821 0.00024592
0.00138274 0.00342769 0.01512084
26.86266227 6.53084599 -3.63133010
0.00066749 -0.00038284 -0.00028885
-0.00674277 0.00752332 0.00809522
-9.96129636 4.89872114 6.89560672
0.00003772 -0.00009870 -0.00020498
0.00017399 -0.00288732 -0.00693468
-8.67485412 13.25885240 2.58999732
-0.00004257 0.00007589 0.00002691
-0.00158156 -0.00098324 -0.00496882
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09346845
0.33669900
448.63453707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3825745674 (a.u.)
total exchange computation time: 2.6734099388 s
-154.1585312412
-931.42661037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3822027235 (a.u.)
total exchange computation time: 2.6741230488 s
-154.1629038654
Anderson extrapolation: theta=1.3489731459 (1.3489731459)
-931.42680038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3815828376 (a.u.)
total exchange computation time: 2.6742429733 s
-154.1698712080
Anderson extrapolation: theta=0.0519152659 (0.0519152659)
-931.42691289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3814585377 (a.u.)
total exchange computation time: 2.6782200336 s
-154.1710904325
Anderson extrapolation: theta=1.9186493592 (1.9186493592)
-931.42691686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3811940406 (a.u.)
total exchange computation time: 2.6751689911 s
-154.1736248069
Anderson extrapolation: theta=0.2142066912 (0.2142066912)
-931.42692076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3811306525 (a.u.)
total exchange computation time: 2.6762101650 s
-154.1741926809
Anderson extrapolation: theta=1.8643419966 (1.8643419966)
-931.42692148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3810341599 (a.u.)
total exchange computation time: 2.6750671864 s
-154.1750314509
Anderson extrapolation: theta=0.2834357511 (0.2834357511)
-931.42692235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3810285864 (a.u.)
total exchange computation time: 2.6751899719 s
-154.1750568704
Anderson extrapolation: theta=1.3293804816 (1.3293804816)
-931.42692259
-115.641497 23.112558 142.906517
559.341431 1031.779970 -412.697868
443.699934 1054.892528 -269.791351
1175.778572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3810369353 (a.u.)
total exchange computation time: 2.6760370731 s
679.08561010
-1083.91175467
89.75476446
-389.08531216
-174.88919359
78.34686138
551.60419304
0.00000000
-931.42692280
3.91832546 -30.74072326 -2.27174865
0.00006209 0.00002938 -0.00000269
-0.00321739 -0.00964788 -0.01205534
-11.71332441 -2.05600221 -9.17450138
0.00038224 0.00042910 -0.00003723
-0.00076583 -0.00456534 0.00829676
-37.45134751 2.46564461 -0.02747900
-0.00007854 0.00004321 0.00021705
-0.02244882 0.00929454 0.00518383
-11.58693571 -4.00052479 3.83219403
-0.00024621 -0.00014214 -0.00003749
0.01153724 -0.03237902 0.00307214
4.51710774 -3.87466433 9.41586244
-0.00043683 -0.00013414 -0.00023539
-0.00786835 -0.02032513 0.01000053
-31.88935247 -0.81317440 -0.59845534
-0.00004965 0.00061202 0.00019866
-0.00864631 -0.03191967 -0.01553265
14.85800918 12.60189022 -14.01165317
-0.00058004 0.00013197 -0.00002897
0.00314677 -0.00887903 0.02897180
-7.70195993 5.93687441 2.51382985
0.00003523 0.00025882 0.00016083
-0.00512464 -0.02623199 -0.05111949
7.52319849 12.59331169 -5.65412236
0.00029583 0.00013847 -0.00031343
0.01431915 -0.00602259 0.01619905
8.88989049 9.83639218 -19.03274580
-0.00006791 0.00007401 0.00010469
0.01898243 0.00642007 -0.00256489
23.33233306 17.33053363 -2.12375053
0.00018344 -0.00014661 -0.00004825
-0.01570522 0.02982594 -0.00225930
2.27581641 16.91255849 -19.34134012
0.00000488 0.00002319 -0.00058619
-0.00931555 -0.02495340 0.01427187
14.05760723 -1.36380042 -5.39966820
-0.00019368 0.00028617 -0.00033316
-0.00554693 0.00328373 -0.01638220
-16.10863122 -1.70334650 3.21519528
0.00011344 0.00064694 -0.00017457
0.02341772 0.01458999 0.01143393
-16.94129046 -1.79723046 19.30871727
0.00013909 -0.00017037 -0.00043051
-0.01429970 0.01248944 -0.01456287
0.31969993 2.07708034 -5.06702962
0.00025795 -0.00013010 0.00022996
0.00086480 0.03163803 -0.00029177
22.44852961 -7.18484943 -8.94569084
0.00041421 0.00002640 0.00013491
0.01193958 -0.00219708 0.00099066
-0.52928467 -6.43538087 7.24791779
-0.00025269 -0.00002504 -0.00002106
0.00225943 0.00896498 -0.00482729
-1.83128789 -1.41675047 -19.29718639
0.00023612 0.00011659 0.00000526
-0.00357109 -0.04519525 -0.00412173
3.31528503 2.18117888 -9.29643759
-0.00021862 -0.00023612 0.00000290
0.00793827 -0.00700438 0.03297744
-3.75812308 17.96910391 12.19565833
-0.00026727 -0.00015332 0.00021051
0.01168535 0.02201271 0.02340641
-3.79228113 4.98961367 -11.22406567
-0.00021089 -0.00001033 0.00028739
0.01440269 -0.01163944 0.02087805
-8.10752515 3.16045007 -8.98577201
0.00035952 -0.00024457 -0.00009331
0.02840517 0.00829582 -0.00483610
2.06108462 27.34581717 8.49924031
0.00038898 0.00008117 0.00027543
-0.02724517 0.00525161 0.00305890
9.96839575 -6.19252535 -1.95976028
-0.00025934 -0.00002282 0.00020092
-0.00072291 0.00804963 -0.00425401
-8.79406295 0.66985269 5.92837352
0.00007926 0.00027069 0.00015086
0.02487289 0.01912427 -0.01779272
20.40157216 10.72298434 8.85378416
-0.00014271 0.00026918 0.00010468
-0.00403503 -0.01843050 -0.00357509
-2.59356924 -2.14497392 -27.18092454
0.00053593 0.00010841 -0.00012507
-0.02291866 -0.00670905 0.00571456
-14.29889425 6.07921315 7.53514753
-0.00001261 0.00005219 0.00026406
-0.00681453 0.01546403 -0.00421652
-9.78313342 7.23042623 -2.63194628
0.00041641 0.00009845 0.00026391
0.00022750 -0.00480630 0.00757889
-1.73319776 -15.74845268 23.88448374
-0.00024384 0.00028631 -0.00045246
-0.00959211 0.02470856 0.00940916
-2.60480017 6.33128293 -6.38153880
-0.00009073 -0.00010091 0.00017004
-0.01872670 0.02043535 -0.00867110
-20.21321536 31.09684969 4.48554946
0.00047240 0.00001694 -0.00024612
0.01991260 -0.02267877 -0.01447581
7.58075614 0.02513536 8.03199099
0.00004295 -0.00001049 -0.00023818
0.00548071 0.02059786 0.01997515
5.54999199 11.34530519 -13.87576668
0.00027196 0.00027945 0.00029735
0.05312509 -0.01117152 0.05679710
15.72417390 3.04583229 -1.96680308
-0.00035338 -0.00034459 0.00001965
0.00498701 0.03138797 0.00138139
-4.18901133 13.59787440 -1.07222347
-0.00027810 -0.00009683 0.00028771
-0.01010237 -0.00856396 -0.01062672
4.56375156 12.59734171 3.26512463
0.00018195 -0.00027803 -0.00017444
-0.01039172 -0.01538050 -0.00582187
24.84593374 -11.75030919 -9.57115662
0.00009724 0.00015738 -0.00020290
0.01348202 -0.01137982 -0.00010830
16.41825661 -3.87767600 -0.40307179
0.00004408 0.00031354 -0.00010439
0.03341523 -0.01168653 -0.00285750
12.94293625 7.90372158 9.93840848
-0.00001996 0.00013122 0.00033559
0.01939047 -0.00207398 -0.03156859
1.63909993 -13.83733589 17.68012166
-0.00021063 -0.00020802 -0.00004125
0.00867553 -0.04281955 -0.01258355
-4.36416402 -0.68228206 -14.50555751
0.00025895 -0.00003577 0.00025721
-0.02330166 -0.00715466 0.04849908
15.05442471 -8.06575483 -9.02866664
0.00019455 0.00046146 0.00008177
0.02320563 0.04621511 0.01729618
8.73654848 -6.69010656 8.59384556
-0.00042169 -0.00051052 0.00033350
-0.01515785 0.00687151 0.01366182
-21.33767402 2.28289948 22.66361339
0.00012059 0.00014032 0.00017809
0.01979394 0.01034837 -0.04246887
25.81555562 -3.18520802 -7.86034273
-0.00017681 -0.00012788 -0.00031263
-0.00487524 0.01074878 0.01299331
9.83577999 -14.13821553 -7.76682094
-0.00002504 0.00006916 -0.00035006
-0.01469608 -0.01066159 -0.00323428
-6.40214166 -12.22539149 16.78777032
-0.00047711 -0.00042818 0.00018717
0.00382042 0.01565805 0.00686672
8.21742476 3.46193573 -29.44259573
-0.00018151 0.00007375 0.00016779
0.00794892 -0.02298530 0.00398712
10.87312198 15.54405343 15.22336912
-0.00020806 -0.00039988 0.00019556
0.02267694 -0.00655112 -0.01550093
28.54463899 6.03890179 -3.06333706
0.00007455 -0.00001260 -0.00029176
0.00386194 0.00206214 -0.02740477
5.34623727 -31.21490107 -3.32547075
0.00008304 0.00041742 0.00041316
0.00462438 -0.00567514 0.00084917
3.90666210 -31.67839725 -0.72898629
-0.00017731 -0.00009366 -0.00025026
0.00986150 -0.00316633 0.01312143
-11.66071365 -3.82685941 -8.59266592
-0.00001045 -0.00026217 -0.00038066
-0.00105827 0.00648947 -0.00034407
-12.66938021 -2.09971461 -10.71001834
-0.00042549 0.00029884 -0.00023012
-0.00113788 0.00521645 -0.00781023
-39.00363479 2.12715802 0.99834701
-0.00018180 -0.00010400 -0.00023801
0.02599140 0.00395089 -0.01548304
-37.75911141 4.14636414 -0.95837406
-0.00008428 0.00024959 -0.00006936
0.00032641 -0.02884431 0.01390008
-10.79814038 -5.75982431 3.56653365
0.00026449 -0.00054535 0.00034999
-0.00766515 0.03635710 0.00103961
-10.27213510 -2.74725407 3.62220415
-0.00045354 0.00073732 -0.00000826
0.00440201 -0.00525765 -0.00052894
5.33224548 -2.48054067 8.62031814
-0.00007215 0.00011804 -0.00133663
0.00817728 0.01802251 -0.00433522
4.67526415 -3.54755217 11.22238017
0.00072793 -0.00024138 0.00000567
-0.00505075 0.00072530 -0.00024324
-33.34451092 -1.90662019 -0.80075497
-0.00019903 0.00061120 0.00007120
0.00098565 -0.00517276 0.00245887
-32.60625400 0.51551079 0.30238377
-0.00028295 -0.00049290 0.00108132
-0.01377430 0.03687736 0.02046292
14.71048423 12.84438821 -15.80304870
-0.00038757 -0.00059117 0.00157533
0.00614361 0.00017853 -0.01133697
16.50851797 11.92305382 -13.50669120
0.00026547 -0.00060694 0.00093656
-0.00860859 0.00631416 -0.01386225
-8.59451416 7.04313494 1.27887875
-0.00049004 -0.00005169 0.00018874
0.01083905 -0.00885900 0.01923557
-7.35146949 4.47939096 1.20704570
-0.00049444 -0.00017687 -0.00001923
-0.00204118 0.03429117 0.03305165
6.13430427 12.36429433 -6.73580221
0.00020228 -0.00029988 -0.00005941
-0.01935395 0.00074388 -0.02141725
8.90335837 13.62504393 -6.51493627
-0.00057034 -0.00038907 -0.00043396
-0.00816078 0.00017413 0.00164194
8.66605851 8.92361988 -20.60114674
-0.00099994 -0.00060753 0.00010993
0.00363381 0.00235954 0.00152551
10.58267338 10.70943526 -19.16596816
-0.00062392 0.00167478 -0.00035631
-0.02187717 -0.01144112 -0.00039017
24.05513862 15.77047599 -2.66797781
-0.00081142 -0.00003209 0.00026367
0.00405973 -0.02387417 -0.00314511
24.80719067 18.40903673 -2.41657461
0.00104418 -0.00107612 -0.00024539
-0.00808977 0.01154717 0.00818929
1.58167726 16.98685377 -21.04738583
-0.00036968 -0.00133880 0.00083890
0.00229271 0.00607502 -0.00740910
2.75356724 15.06941894 -19.11971593
-0.00043260 -0.00009642 -0.00005298
0.00962950 0.02564649 -0.00240324
12.90233156 -1.05451980 -6.82761916
0.00021128 0.00172233 0.00008862
0.00716086 -0.00963313 0.00720069
13.07381101 -1.25165188 -3.86644208
0.00087032 -0.00058708 0.00073479
-0.00033304 0.00493099 0.00046706
-17.40182566 -2.95704342 3.39916770
0.00009898 -0.00072439 -0.00053987
-0.00754294 -0.01391376 -0.00246434
-14.44152356 -2.53479697 3.42585841
-0.00042306 -0.00037922 0.00087904
-0.01778920 -0.00178150 -0.00640324
-16.13014612 -0.22274030 19.82753644
0.00068554 -0.00042644 0.00032200
-0.00622988 0.00863203 0.01028911
-15.63818149 -2.98538310 19.39690529
0.00061651 -0.00046914 -0.00012978
0.02547298 -0.02408005 0.00726545
-0.78923369 0.62847037 -5.20982635
-0.00063744 0.00020503 -0.00026631
-0.01217804 -0.00866879 0.00561308
-0.78888786 3.58466625 -4.87063627
0.00000893 -0.00049923 -0.00041153
0.00677043 -0.01956494 -0.00290686
23.31354866 -8.83804136 -9.32608027
-0.00011592 -0.00068188 -0.00018361
-0.00790103 0.03043831 0.01225116
23.63280299 -5.79493560 -8.47823793
-0.00018347 0.00060968 -0.00047837
-0.00414177 -0.02322545 -0.00604888
0.51264445 -5.87578386 5.81812042
-0.00030370 0.00034230 0.00045837
-0.00340482 -0.00472005 0.00333410
-0.24769941 -5.11973208 8.49130951
0.00087743 0.00016210 -0.00024613
0.00165236 -0.00964384 0.00172932
-1.05092510 -3.04770601 -18.74140943
-0.00031182 0.00063834 -0.00053503
-0.00316139 0.02718694 -0.00485461
-3.11860630 -2.14314576 -20.46106756
0.00031610 -0.00025752 -0.00056919
0.00395232 0.01562727 0.00866477
2.78747551 2.31750694 -10.97077656
-0.00041385 -0.00060898 0.00017063
-0.00755794 0.00835868 -0.03843681
1.87301775 2.64155753 -8.23888196
0.00072376 0.00061009 -0.00012008
0.00499675 -0.00354793 0.00830603
-2.36958345 16.78760333 12.68148361
0.00045631 -0.00102054 -0.00024734
-0.00498994 0.00049829 -0.00741832
-3.46205446 19.40253255 13.42928120
0.00007813 0.00043347 -0.00013572
-0.00929929 -0.02908038 -0.01651323
-4.43700227 6.29172789 -12.26359670
0.00001514 -0.00117567 0.00107173
-0.00655835 0.01248001 -0.01628090
-3.01174297 3.64910677 -12.15684818
-0.00111321 0.00150752 -0.00021718
-0.00580693 -0.00384086 -0.01154506
-7.78088908 2.23865875 -7.45613319
-0.00042622 -0.00050532 0.00042063
-0.00050070 -0.00398289 0.00453256
-6.35882485 3.71436719 -9.47391050
-0.00053064 -0.00064122 0.00035228
-0.03246825 -0.00653903 0.00215674
2.06542411 28.29424390 6.91580201
0.00053055 0.00059218 -0.00032543
0.00535197 -0.00314970 0.00192274
0.33431110 27.68125362 9.10690379
0.00072992 0.00061815 -0.00004968
0.01968474 -0.00166605 -0.00431073
10.79852492 -7.05130141 -0.57906621
-0.00066923 -0.00086915 -0.00088360
0.00259333 -0.00416321 0.00519798
8.76126268 -7.37852492 -2.64495290
0.00004458 0.00039847 -0.00047802
-0.00010058 -0.00251862 0.00285387
-7.00702218 0.24179476 6.30643156
-0.00035183 0.00030958 -0.00008791
-0.00185634 0.00871493 -0.00296588
-9.45696229 -0.68785852 6.81708887
0.00089734 -0.00031128 -0.00017518
-0.03207181 -0.02707788 0.02325490
21.68857513 10.18968087 10.03127240
0.00050558 -0.00086373 -0.00044190
0.00096042 0.00176805 0.00546014
20.86059741 12.41240941 8.39944591
0.00023172 -0.00082030 -0.00065309
0.00387660 0.02117035 -0.00304231
-1.54654959 -3.41037988 -26.28085271
0.00051756 -0.00142054 -0.00029474
-0.01179344 0.00976026 -0.00177928
-4.41252568 -2.22411756 -26.59239367
-0.00024451 0.00018035 -0.00039667
0.03865792 -0.00103954 -0.00705501
-14.31900273 7.22397947 8.96248382
0.00029006 0.00041041 0.00010008
0.00208391 -0.00598000 0.00265392
-14.98184536 7.26012390 6.27711863
-0.00112353 0.00032333 0.00082451
0.00689228 -0.01205330 0.00123546
-11.22119513 6.73806064 -3.63699579
-0.00020397 0.00071717 0.00008193
0.00315402 0.00991549 -0.00231745
-8.68947254 8.31794405 -3.65795742
0.00008029 0.00049300 -0.00059503
-0.00547788 -0.00450794 -0.00379768
-1.12819956 -17.43474624 23.46107319
-0.00059005 0.00034037 0.00010879
-0.00535897 -0.00811227 -0.00028894
-3.49579746 -15.67505414 24.47263135
0.00144863 -0.00036601 -0.00084857
0.01640810 -0.01038542 -0.01014633
-2.93528837 5.63676681 -8.09208503
0.00094694 0.00064340 0.00009554
0.00381017 0.01292595 0.01483524
-3.77891307 7.84157638 -6.20366339
-0.00006354 -0.00032596 -0.00034563
0.01024050 -0.02865265 -0.00257866
-21.15528919 30.57054021 2.99909569
-0.00008146 0.00019753 -0.00098635
-0.01516234 -0.01282981 -0.00017463
-21.28601444 32.18919911 5.37844806
0.00030825 -0.00105507 0.00019649
-0.02585401 0.01390308 0.01923493
7.02697438 -0.17340425 6.31721116
0.00031023 0.00108133 0.00025164
-0.00614593 -0.00216185 -0.02235280
7.37908913 1.83441411 8.38752009
0.00039981 0.00033113 -0.00153419
-0.00023015 -0.01262740 -0.00478259
6.72443024 12.80244394 -13.65033001
0.00050846 0.00005691 -0.00097890
0.00308050 -0.01312866 -0.00207668
4.45421709 12.06217339 -14.98081059
-0.00080205 -0.00023285 -0.00009768
-0.04810320 0.02352236 -0.04728440
14.48238876 3.91735910 -3.00809775
-0.00007606 -0.00049330 -0.00065901
0.00545480 0.00477440 0.00740605
15.18898226 1.36188793 -1.96462761
-0.00030677 -0.00087598 0.00029102
-0.00500862 -0.03070761 -0.00037466
-2.46136100 13.50730763 -0.52368182
-0.00002806 -0.00015230 0.00021776
-0.00384024 -0.00592878 0.00738115
-5.41993507 12.96202714 0.19476864
-0.00005372 -0.00058563 0.00077449
0.01519951 0.00523323 -0.00054644
3.75671730 10.85397537 3.52430790
-0.00038146 -0.00167503 -0.00010691
0.00989236 0.02170918 0.00064538
6.34667014 12.29999572 3.57900101
-0.00054069 -0.00023011 -0.00052938
0.00325524 -0.00172730 -0.00537195
25.30654352 -13.28466028 -8.66528553
0.00008021 0.00064643 0.00055370
-0.01146654 0.00818279 0.00302961
26.15686106 -11.59783046 -10.86317491
0.00138201 0.00028167 -0.00054813
-0.00207070 0.00351495 -0.01121309
14.74125963 -4.09111630 -0.95278553
0.00026365 -0.00024994 0.00001970
-0.02031868 0.00441174 -0.00073336
17.18434780 -5.53353783 -0.86114437
0.00016212 -0.00064919 -0.00030324
-0.00349279 0.01131813 0.00695580
12.03847090 8.02517966 11.45876259
0.00102320 -0.00048320 0.00035877
-0.01846191 0.00030474 0.03310092
12.97364889 9.58029551 9.20089225
0.00088991 0.00027792 -0.00009882
0.00481994 0.00520126 0.00089186
-0.03448953 -14.44112536 17.06542452
-0.00017525 0.00021913 0.00032322
0.01042286 0.01289183 0.00516922
1.73206128 -12.16813683 18.24821052
-0.00038912 -0.00055715 0.00001605
-0.00997943 0.02842641 0.00599095
-4.02278371 -2.24081904 -13.54628043
0.00071899 -0.00108053 0.00026473
-0.00263615 0.01155494 -0.00658517
-3.20879756 -0.52166338 -15.80539308
-0.00059979 0.00014243 0.00031979
0.03429603 -0.00486599 -0.04056291
14.26815937 -8.07963207 -10.64055061
-0.00119303 -0.00017852 0.00114013
-0.00758075 -0.00983681 -0.02725726
16.08923047 -6.36705656 -9.20245972
0.00094129 0.00050033 -0.00023929
-0.01242836 -0.03574825 0.00715020
7.21980863 -5.78579941 9.35670546
-0.00011078 0.00030074 -0.00006188
0.02174566 -0.00456334 -0.02467567
9.36988377 -5.67924373 7.17973595
0.00008061 -0.00022822 -0.00019792
-0.00854185 -0.00303515 0.00932659
-21.02765788 2.12668689 20.77863864
-0.00096335 -0.00095048 0.00053944
-0.00942977 0.00361620 0.03152309
-21.74545942 0.60592266 23.19853327
0.00004241 0.00003684 0.00012657
-0.00993998 -0.01152394 0.00881392
26.42644626 -2.92174957 -6.13274549
0.00040587 -0.00026118 -0.00037138
0.00260111 -0.00206709 -0.00456795
25.16419093 -1.48679694 -8.18762950
-0.00007044 -0.00053779 -0.00014683
0.00292424 -0.00170311 -0.00638888
8.97066742 -15.82214249 -7.58794949
-0.00009855 -0.00011642 -0.00003828
0.02123757 0.01917429 -0.00510306
8.64555764 -12.89245224 -7.14739979
0.00052741 -0.00005808 -0.00003088
0.00640045 0.00129191 0.00323329
-5.58304207 -11.03499743 17.98154006
-0.00019406 0.00004140 0.00062550
-0.00962421 -0.00650938 -0.01411907
-7.30353054 -11.21258047 15.51256980
-0.00054771 -0.00057792 0.00026729
0.01538235 -0.00283794 0.00883764
9.20161877 1.86899196 -29.44704209
-0.00139366 -0.00148122 0.00019227
-0.01111424 0.01901943 -0.00578538
6.83382636 3.23049979 -30.61075202
0.00018638 0.00011301 0.00076553
-0.01013746 -0.00966210 -0.00073312
12.59957666 14.89693203 14.61783386
0.00002775 0.00070894 -0.00085158
-0.01120402 0.00488042 -0.00624036
11.24802699 16.01470223 16.93211982
-0.00034762 -0.00006444 0.00135486
-0.00284721 0.00718861 0.01734568
29.10905186 4.99992556 -4.51726083
0.00091935 -0.00028410 0.00030680
0.00083343 0.00348017 0.01468085
26.87246802 6.52533387 -3.63541472
0.00063205 -0.00035039 -0.00025901
-0.01060761 0.00836078 0.00650714
-9.96073004 4.89723283 6.89251336
0.00003778 -0.00009965 -0.00020744
0.00012681 -0.00239881 -0.00680996
-8.67549549 13.25998899 2.59039237
-0.00004296 0.00007566 0.00002575
-0.00175534 -0.00092931 -0.00502492
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09343488
0.33348792
444.35593495
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3795845150 (a.u.)
total exchange computation time: 2.6770679951 s
-154.1447763133
-931.42225356
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3792065359 (a.u.)
total exchange computation time: 2.6765837669 s
-154.1491634789
Anderson extrapolation: theta=1.3507459898 (1.3507459898)
-931.42244648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3785749823 (a.u.)
total exchange computation time: 2.6754341125 s
-154.1561961206
Anderson extrapolation: theta=0.0513634360 (0.0513634360)
-931.42256110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3784484735 (a.u.)
total exchange computation time: 2.6735570431 s
-154.1574441865
Anderson extrapolation: theta=1.8862542890 (1.8862542890)
-931.42256513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3781828598 (a.u.)
total exchange computation time: 2.6759319305 s
-154.1600087664
Anderson extrapolation: theta=0.2075103479 (0.2075103479)
-931.42256914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3781200982 (a.u.)
total exchange computation time: 2.6740081310 s
-154.1605790717
Anderson extrapolation: theta=1.8628778032 (1.8628778032)
-931.42256990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3780242797 (a.u.)
total exchange computation time: 2.6760571003 s
-154.1614290574
Anderson extrapolation: theta=0.2825994122 (0.2825994122)
-931.42257089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3780186264 (a.u.)
total exchange computation time: 2.6739368439 s
-154.1614616797
Anderson extrapolation: theta=1.3374579152 (1.3374579152)
-931.42257118
-115.611866 23.045199 142.948328
559.342976 1031.730960 -412.691190
443.731110 1054.776159 -269.742862
1175.674808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3780268474 (a.u.)
total exchange computation time: 2.6457760334 s
679.03796358
-1083.82536967
89.76747133
-389.14254316
-174.88206669
78.30240073
551.60419304
0.00000000
-931.42257145
3.91924443 -30.74031973 -2.27183556
0.00006008 0.00002465 -0.00000880
-0.00462367 -0.00875671 -0.01169172
-11.70759382 -2.04958332 -9.17502787
0.00038105 0.00042582 -0.00003388
-0.00383971 -0.00818952 0.00474289
-37.45261226 2.46632860 -0.02420332
-0.00008986 0.00004832 0.00021933
-0.02157529 0.01058342 0.00371774
-11.59058438 -4.00278185 3.83164348
-0.00023959 -0.00015860 -0.00003595
0.01420701 -0.03162862 0.00291168
4.51052487 -3.87675482 9.41237013
-0.00043997 -0.00014314 -0.00023065
-0.00432019 -0.01468038 0.00844987
-31.89013055 -0.80411722 -0.59553541
-0.00005422 0.00059506 0.00019041
-0.00913130 -0.03404007 -0.01655025
14.84932067 12.60383551 -14.01197595
-0.00057630 0.00012609 -0.00000994
0.01142054 -0.01397079 0.04503619
-7.70145127 5.94065554 2.51604504
0.00003251 0.00024504 0.00013439
-0.00546421 -0.02736773 -0.05168432
7.52769124 12.59536543 -5.65876139
0.00030225 0.00013475 -0.00030471
0.01062005 -0.00841208 0.01774148
8.88894506 9.83752702 -19.03118537
-0.00005826 0.00007709 0.00010278
0.01853273 0.00556606 -0.00486330
23.33502403 17.32844956 -2.12448302
0.00017521 -0.00013030 -0.00004931
-0.01627025 0.03359697 -0.00186387
2.27585372 16.91281005 -19.35007794
0.00000090 0.00000999 -0.00057686
-0.00615317 -0.02635199 0.02200840
14.05468067 -1.35949515 -5.40472873
-0.00019610 0.00028777 -0.00034057
-0.00386361 0.00293348 -0.01244313
-16.10683931 -1.69358607 3.21262089
0.00012417 0.00065258 -0.00016841
0.01831223 0.00733228 0.01249119
-16.93925934 -1.79973781 19.30220338
0.00013321 -0.00016463 -0.00043777
-0.00855604 0.00984333 -0.01364816
0.32357248 2.07525088 -5.06358128
0.00025792 -0.00011464 0.00022972
-0.00096010 0.02849104 -0.00064904
22.45478880 -7.18446198 -8.94366334
0.00041992 0.00002476 0.00013519
0.01028533 -0.00415217 0.00009116
-0.53306631 -6.43572185 7.24758328
-0.00025154 -0.00002012 -0.00002304
0.00221042 0.01016254 -0.00289107
-1.82775993 -1.41517596 -19.29712335
0.00023318 0.00009415 0.00000221
-0.00783674 -0.04207148 -0.00776762
3.31203640 2.17761012 -9.29626682
-0.00021365 -0.00023993 0.00001935
0.01135783 -0.00784429 0.03096401
-3.76208698 17.96688907 12.19890627
-0.00026032 -0.00014271 0.00022279
0.01532073 0.01925465 0.02435913
-3.79538890 4.98941382 -11.21967428
-0.00020339 -0.00001659 0.00030083
0.01477035 -0.01268938 0.03138369
-8.10202272 3.15681358 -8.98719031
0.00037262 -0.00024127 -0.00009462
0.02250320 0.00452879 -0.00024439
2.06681425 27.34705500 8.50338354
0.00037557 0.00008460 0.00027548
-0.02492450 0.00807359 -0.00284418
9.96450290 -6.19283663 -1.95676286
-0.00026000 -0.00001799 0.00019802
-0.00184558 0.01072647 -0.00703265
-8.79277817 0.67398688 5.93056778
0.00009130 0.00028040 0.00014173
0.02195957 0.01863309 -0.01769359
20.39941592 10.72695091 8.85534055
-0.00014464 0.00025799 0.00010370
-0.00344827 -0.02508759 -0.00023918
-2.58561870 -2.14337358 -27.18277858
0.00052408 0.00010395 -0.00012131
-0.02317419 -0.01064186 0.00891098
-14.29910964 6.08005561 7.53909219
-0.00001634 0.00006055 0.00026181
-0.00769651 0.01706950 -0.00452760
-9.77688635 7.23188446 -2.62795836
0.00041622 0.00009629 0.00026670
-0.00097542 -0.00359387 0.00324226
-1.73689236 -15.74406276 23.87773319
-0.00024589 0.00029905 -0.00044852
0.00161715 0.02486028 0.00591316
-2.60623338 6.32984804 -6.37902168
-0.00010006 -0.00009039 0.00016597
-0.01754947 0.02048181 -0.00714692
-20.20605262 31.09701628 4.48180190
0.00048216 0.00000437 -0.00025518
0.01805947 -0.02620139 -0.02079292
7.58142153 0.02505741 8.02849539
0.00004600 0.00000057 -0.00022711
0.00639863 0.02240575 0.02307866
5.55427627 11.34945385 -13.87108735
0.00029741 0.00027431 0.00032482
0.04585869 -0.00883454 0.05001561
15.71889240 3.04078452 -1.96650304
-0.00035123 -0.00032958 0.00002026
0.00337823 0.02697947 0.00098334
-4.19322180 13.59638890 -1.06794874
-0.00028312 -0.00010144 0.00028277
-0.00941654 -0.00934140 -0.00859847
4.56644069 12.59311188 3.26248554
0.00017449 -0.00028696 -0.00017751
-0.01860663 -0.01934944 -0.00609885
24.84744435 -11.74799233 -9.57420050
0.00010545 0.00015184 -0.00020435
0.01844113 -0.01017300 -0.00553117
16.41904676 -3.87301791 -0.40464871
0.00006209 0.00030634 -0.00010616
0.03658697 -0.01632197 -0.00401231
12.94271160 7.90568192 9.94332062
-0.00000931 0.00013037 0.00031796
0.02204029 -0.00122840 -0.03700094
1.63597391 -13.84062142 17.67945441
-0.00020587 -0.00023032 -0.00004777
0.00984831 -0.04386854 -0.01278611
-4.36036969 -0.68284616 -14.50151228
0.00024640 -0.00004090 0.00028388
-0.02550275 -0.01281708 0.05521060
15.05743241 -8.05865465 -9.02737343
0.00020680 0.00048523 0.00009119
0.02445098 0.04621098 0.01935170
8.73016463 -6.69773778 8.59890075
-0.00042893 -0.00050618 0.00033944
-0.01300165 0.00998727 0.00942694
-21.33578875 2.28504423 22.66612092
0.00013046 0.00014512 0.00015693
0.01857518 0.00831770 -0.03979960
25.81288465 -3.18708480 -7.86498204
-0.00017889 -0.00012309 -0.00030563
-0.00321397 0.00787469 0.01421807
9.83534763 -14.13721923 -7.77208425
-0.00003229 0.00006296 -0.00035185
-0.01347784 -0.01345185 -0.00375881
-6.40928357 -12.23175374 16.79060440
-0.00047452 -0.00041957 0.00019148
0.00625502 0.01780223 0.00989697
8.21473282 3.46295337 -29.44006354
-0.00017600 0.00006092 0.00017054
0.01347543 -0.02692664 0.00672960
10.87008852 15.53803001 15.22624266
-0.00019583 -0.00040235 0.00018937
0.02490486 -0.00305712 -0.00854240
28.54577217 6.03872080 -3.06781914
0.00007762 -0.00001177 -0.00030518
0.00808423 0.00116556 -0.02479897
5.34762458 -31.20881369 -3.31924729
0.00010474 0.00039294 0.00041419
0.00599680 -0.00630516 -0.00034769
3.90430469 -31.67989917 -0.73233804
-0.00013670 -0.00010763 -0.00019487
0.01001711 -0.00367296 0.01398981
-11.66090285 -3.83059317 -8.59838629
-0.00001426 -0.00022942 -0.00038250
-0.00080717 0.00954432 -0.00055876
-12.67579740 -2.09507218 -10.71370948
-0.00042485 0.00032099 -0.00025375
0.00144990 0.00562761 -0.00375583
-39.00556532 2.12571904 0.99430239
-0.00007770 -0.00008815 -0.00029976
0.02496432 0.00380715 -0.01474142
-37.76036555 4.14922408 -0.95898852
-0.00008269 0.00012969 -0.00001145
0.00044947 -0.02984704 0.01444923
-10.79440796 -5.76689047 3.57181536
0.00023230 -0.00039299 0.00035394
-0.00809030 0.03822197 0.00089321
-10.27880336 -2.73635537 3.62206405
-0.00044008 0.00071004 -0.00000973
0.00218814 -0.00809660 -0.00018866
5.33141386 -2.47821781 8.60013586
-0.00004556 0.00018047 -0.00134665
0.00483683 0.01253764 -0.00056874
4.68602838 -3.55115066 11.22245775
0.00070665 -0.00023814 0.00000021
-0.00536992 0.00086372 -0.00242801
-33.34746621 -1.89761072 -0.79961157
-0.00019306 0.00059034 0.00008088
0.00193814 -0.00503976 0.00227697
-32.61092034 0.50924735 0.31923067
-0.00033999 -0.00033878 0.00116730
-0.01414676 0.03856622 0.02162302
14.70485893 12.83552611 -15.77976608
-0.00036376 -0.00058717 0.00150154
0.00551135 0.00178145 -0.02478407
16.51223622 11.91414328 -13.49306757
0.00021518 -0.00057443 0.00087460
-0.01600685 0.00959793 -0.01646639
-8.60153267 7.04208812 1.28229929
-0.00044554 -0.00008739 0.00026724
0.01094438 -0.00861645 0.01919087
-7.35894863 4.47778863 1.20777004
-0.00050240 -0.00003510 0.00011687
-0.00185398 0.03510723 0.03356903
6.13674538 12.35981890 -6.73734969
0.00012348 -0.00029701 -0.00014595
-0.01921663 0.00066041 -0.02094290
8.89455312 13.61921319 -6.52139532
-0.00059753 -0.00038441 -0.00043045
-0.00514849 0.00210838 0.00007562
8.65117070 8.91457928 -20.59945106
-0.00098221 -0.00059340 0.00012199
0.00504832 0.00455534 0.00437725
10.57264413 10.73420634 -19.17132471
-0.00071466 0.00162481 -0.00035918
-0.02254026 -0.01301813 -0.00101503
24.04309173 15.76926307 -2.66411909
-0.00079242 -0.00013687 0.00024793
0.00524291 -0.02741895 -0.00455945
24.82260549 18.39324870 -2.42000450
0.00100861 -0.00102936 -0.00021110
-0.00932082 0.01134320 0.00859499
1.57620233 16.96695792 -21.03502936
-0.00036663 -0.00131124 0.00079278
-0.00079804 0.00741547 -0.01516578
2.74737336 15.06875848 -19.12058429
-0.00039217 0.00000842 -0.00006188
0.01016234 0.02567528 -0.00195309
12.90572027 -1.02898010 -6.82606926
0.00023616 0.00168245 0.00011596
0.00501564 -0.00988563 0.00618372
13.08685559 -1.26030703 -3.85540592
0.00086973 -0.00056633 0.00073115
0.00004694 0.00522875 -0.00225001
-17.40057214 -2.96833562 3.39099412
0.00007682 -0.00076912 -0.00055185
-0.00330566 -0.00798207 -0.00339951
-14.44841456 -2.54053980 3.43884772
-0.00049449 -0.00038389 0.00085194
-0.01717489 -0.00050733 -0.00686143
-16.12005392 -0.22887245 19.83268166
0.00065773 -0.00039326 0.00036298
-0.00738314 0.00761245 0.00977270
-15.62815327 -2.99315806 19.39518116
0.00071132 -0.00055988 -0.00010090
0.02093671 -0.02033949 0.00687420
-0.79916850 0.63128017 -5.21364903
-0.00068253 0.00017184 -0.00024304
-0.00989483 -0.00757690 0.00577744
-0.78854651 3.57657828 -4.87689836
0.00003618 -0.00057527 -0.00042228
0.00657160 -0.01765791 -0.00235544
23.31156777 -8.84733691 -9.32845903
-0.00014807 -0.00055331 -0.00013252
-0.00783828 0.03249861 0.01275786
23.62992397 -5.78650214 -8.48559884
-0.00019759 0.00051472 -0.00050241
-0.00277062 -0.02325858 -0.00571756
0.50798455 -5.87079396 5.82509809
-0.00031582 0.00032266 0.00046767
-0.00252734 -0.00489293 0.00122059
-0.23448727 -5.11759613 8.48767052
0.00088282 0.00012065 -0.00023886
0.00098671 -0.01064286 0.00182825
-1.05569922 -3.03729778 -18.74958366
-0.00031928 0.00074019 -0.00055045
-0.00048997 0.02266635 -0.00269522
-3.11374368 -2.14652977 -20.46933990
0.00033498 -0.00019073 -0.00053083
0.00529073 0.01706915 0.01011213
2.78103617 2.30862831 -10.96939487
-0.00044494 -0.00057498 0.00001320
-0.00766022 0.00828606 -0.03862915
1.88402732 2.65060023 -8.24042867
0.00073752 0.00059716 -0.00008188
0.00173530 -0.00278423 0.01039530
-2.36289176 16.77231055 12.67754624
0.00042911 -0.00101088 -0.00027895
-0.00832499 0.00423010 -0.00805452
-3.46116750 19.40814356 13.42673936
0.00004051 0.00031173 -0.00020377
-0.00911640 -0.03051461 -0.01679658
-4.43697621 6.27447532 -12.24801962
-0.00002191 -0.00110523 0.00099232
-0.01157334 0.02200034 -0.02258999
-3.02861903 3.67160182 -12.16045960
-0.00112705 0.00147491 -0.00027337
-0.00097048 -0.01211909 -0.01596022
-7.78729779 2.23095684 -7.44968480
-0.00042863 -0.00051723 0.00043271
-0.00067511 -0.00184311 0.00137696
-6.36777944 3.70454845 -9.46856019
-0.00065067 -0.00066442 0.00035855
-0.02628634 -0.00481603 0.00091387
2.07354643 28.30303010 6.91097954
0.00055268 0.00057308 -0.00030815
0.00547611 -0.00620047 0.00653345
0.34586315 27.69047486 9.10602656
0.00080525 0.00061152 -0.00006498
0.01718858 -0.00158111 -0.00318251
10.78856592 -7.06446618 -0.59216098
-0.00065371 -0.00088964 -0.00085488
0.00500242 -0.00587030 0.00886036
8.76192827 -7.37262500 -2.65203579
0.00004140 0.00038624 -0.00046832
-0.00145463 -0.00347074 0.00189446
-7.01235655 0.24670558 6.30502198
-0.00035278 0.00034511 -0.00009949
0.00139497 0.00867709 -0.00270146
-9.44448498 -0.69335753 6.81517382
0.00076598 -0.00042117 -0.00008097
-0.03223053 -0.02671157 0.02286168
21.69618832 10.17677905 10.02481118
0.00050475 -0.00085320 -0.00042394
-0.00136768 0.00339033 0.00333401
20.86419196 12.40075367 8.38955638
0.00025104 -0.00072347 -0.00066755
0.00558073 0.02622715 -0.00403540
-1.53914755 -3.43138883 -26.28532838
0.00046361 -0.00137191 -0.00030694
-0.01461447 0.01404293 -0.00419165
-4.41500876 -2.22144421 -26.59855991
-0.00008036 0.00017592 -0.00042710
0.04169686 -0.00112716 -0.00784032
-14.31458797 7.22995238 8.96406628
0.00029936 0.00038458 0.00011101
0.00246680 -0.00666629 0.00270069
-14.99848705 7.26460444 6.28952414
-0.00109395 0.00027190 0.00083011
0.00758716 -0.01311887 0.00150744
-11.22415802 6.74912196 -3.63583790
-0.00018640 0.00075851 0.00007681
0.00544635 0.01032347 -0.00018660
-8.68843605 8.32520086 -3.66699931
0.00005537 0.00047088 -0.00060581
-0.00671830 -0.00632062 -0.00147920
-1.13721454 -17.42988923 23.46269618
-0.00060889 0.00030452 0.00010615
-0.00386119 -0.00943743 -0.00100481
-3.47356517 -15.68086259 24.45959190
0.00149055 -0.00040562 -0.00088136
0.00410848 -0.00900222 -0.00590622
-2.92096750 5.64681396 -8.09019736
0.00096121 0.00069321 0.00015168
0.00317469 0.01145460 0.01264544
-3.77955233 7.83580900 -6.20892685
-0.00002332 -0.00044048 -0.00035492
0.00944680 -0.02740494 -0.00196823
-21.15697576 30.57311005 2.98429513
-0.00013757 0.00014785 -0.00097742
-0.01229999 -0.01148926 0.00454615
-21.28218295 32.17379907 5.38198490
0.00019957 -0.00099492 0.00027778
-0.02734759 0.01554197 0.02055683
7.03143956 -0.15725049 6.32030081
0.00028271 0.00106848 0.00015068
-0.00732746 -0.00412876 -0.02706674
7.38507919 1.83899418 8.36436068
0.00039941 0.00027998 -0.00154992
0.00003800 -0.01241458 -0.00291811
6.73215147 12.80289531 -13.66507718
0.00052215 0.00000649 -0.00098678
0.00362165 -0.01155302 -0.00177911
4.44071228 12.05940149 -14.98372478
-0.00098499 -0.00014494 -0.00027738
-0.04144592 0.01950763 -0.04067671
14.48141495 3.91010595 -3.01775595
-0.00005293 -0.00047512 -0.00062740
0.00586896 0.00412582 0.00806555
15.18422722 1.34780729 -1.96027376
-0.00032444 -0.00099045 0.00028934
-0.00364288 -0.02532836 -0.00044653
-2.46189963 13.50484140 -0.52018920
-0.00004678 -0.00017620 0.00024644
-0.00532188 -0.00576681 0.00665698
-5.42027516 12.95340298 0.20636929
0.00000984 -0.00056253 0.00076936
0.01591410 0.00607617 -0.00196533
3.75129853 10.82951515 3.52272395
-0.00033644 -0.00157513 -0.00010510
0.01214335 0.02719409 0.00024456
6.33865949 12.29649117 3.57089567
-0.00051615 -0.00023872 -0.00054919
0.00875819 -0.00248998 -0.00432658
25.30739525 -13.27471309 -8.65688719
0.00003390 0.00067896 0.00056605
-0.01119856 0.00774341 0.00301538
26.17752772 -11.59349770 -10.87174044
0.00136256 0.00029465 -0.00058330
-0.00744694 0.00283750 -0.00600407
14.74459170 -4.09473016 -0.95251257
0.00017763 -0.00023208 0.00001634
-0.02178508 0.00432717 -0.00090755
17.18667263 -5.54292893 -0.86547989
0.00014422 -0.00059384 -0.00027196
-0.00527350 0.01577739 0.00835662
12.05325311 8.01794105 11.46515846
0.00094357 -0.00047969 0.00050064
-0.02051582 0.00141119 0.03634559
12.98714528 9.58462375 9.19943725
0.00090812 0.00029502 -0.00009147
0.00409320 0.00316667 0.00270671
-0.03679885 -14.43744333 17.07043115
-0.00013564 0.00026960 0.00034305
0.00896369 0.01181468 0.00453965
1.72591874 -12.17562302 18.24863482
-0.00042900 -0.00043636 0.00004231
-0.00954338 0.03070156 0.00686323
-4.01207964 -2.25667294 -13.54251131
0.00070579 -0.00102269 0.00023175
-0.00382585 0.01675675 -0.00955583
-3.21674340 -0.51967600 -15.80183913
-0.00045316 0.00012345 0.00014664
0.03747822 -0.00442674 -0.04419764
14.25003164 -8.08261124 -10.62428398
-0.00122456 -0.00021710 0.00102510
-0.00785354 -0.00905120 -0.02904680
16.10296902 -6.36064701 -9.20582995
0.00088817 0.00035332 -0.00021146
-0.01357618 -0.03621435 0.00647162
7.21881333 -5.78142816 9.35502117
-0.00002325 0.00028105 -0.00016166
0.02109962 -0.00507215 -0.02416961
9.37083121 -5.68276000 7.17705296
0.00004283 -0.00024624 -0.00015246
-0.00995430 -0.00578731 0.01292576
-21.04239705 2.11254055 20.78769615
-0.00099971 -0.00093356 0.00066163
-0.00836811 0.00466394 0.02829181
-21.74512793 0.60612211 23.20070197
0.00000214 -0.00000794 0.00016380
-0.00977191 -0.01039352 0.00940959
26.43261402 -2.92573057 -6.13845620
0.00041553 -0.00026957 -0.00039155
0.00212670 -0.00204370 -0.00530348
25.16322395 -1.49491602 -8.19002776
-0.00006094 -0.00053871 -0.00017381
0.00172684 0.00125351 -0.00681530
8.96983994 -15.82330118 -7.58868001
-0.00001077 -0.00003595 -0.00005949
0.02173393 0.02021447 -0.00528133
8.65366498 -12.89328389 -7.14776388
0.00055006 -0.00004937 -0.00001606
0.00468421 0.00297500 0.00401869
-5.58624782 -11.03457589 17.99048985
-0.00023727 0.00000946 0.00056223
-0.01152817 -0.00912805 -0.01684886
-7.31127486 -11.22133630 15.51685000
-0.00048577 -0.00058796 0.00030232
0.01494107 -0.00207469 0.00831089
9.18037330 1.84735654 -29.44433531
-0.00144144 -0.00139589 0.00016960
-0.01227299 0.02274984 -0.00531067
6.83631146 3.23189884 -30.59929156
0.00013639 0.00007377 0.00075572
-0.01433211 -0.00954600 -0.00407023
12.59964960 14.90771566 14.60486886
-0.00001870 0.00072907 -0.00087308
-0.01153616 0.00497271 -0.00427950
11.24272550 16.01395590 16.95297427
-0.00036152 -0.00004082 0.00140724
-0.00395653 0.00437471 0.00829561
29.12286771 4.99577068 -4.51220897
0.00092173 -0.00027009 0.00036527
0.00032803 0.00338044 0.01394044
26.88162367 6.52033415 -3.63910055
0.00058114 -0.00031470 -0.00023575
-0.01431369 0.00911309 0.00487926
-9.96016304 4.89573164 6.88938343
0.00003781 -0.00010042 -0.00020985
0.00007904 -0.00191023 -0.00666271
-8.67614296 13.26112235 2.59076992
-0.00004339 0.00007545 0.00002458
-0.00191295 -0.00088124 -0.00506380
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09339353
0.32917793
438.61308584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3767741594 (a.u.)
total exchange computation time: 2.6431679726 s
-154.1314650323
-931.41707319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3763929225 (a.u.)
total exchange computation time: 2.6460161209 s
-154.1358750303
Anderson extrapolation: theta=1.3508115964 (1.3508115964)
-931.41726993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3757611350 (a.u.)
total exchange computation time: 2.6478090286 s
-154.1429436920
Anderson extrapolation: theta=0.0512155769 (0.0512155769)
-931.41738706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3756379169 (a.u.)
total exchange computation time: 2.6455252171 s
-154.1441982876
Anderson extrapolation: theta=1.8904100897 (1.8904100897)
-931.41739124
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3753793882 (a.u.)
total exchange computation time: 2.6453490257 s
-154.1467816435
Anderson extrapolation: theta=0.2085500341 (0.2085500341)
-931.41739546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3753188272 (a.u.)
total exchange computation time: 2.6469390392 s
-154.1473576416
Anderson extrapolation: theta=1.8664668991 (1.8664668991)
-931.41739628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3752272046 (a.u.)
total exchange computation time: 2.6446809769 s
-154.1482162247
Anderson extrapolation: theta=0.2821654397 (0.2821654397)
-931.41739738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3752228880 (a.u.)
total exchange computation time: 2.6440229416 s
-154.1482473263
Anderson extrapolation: theta=1.3327091287 (1.3327091287)
-931.41739770
-115.589438 22.979395 142.986839
559.341959 1031.683511 -412.685150
443.752521 1054.662906 -269.698311
1175.571063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550145349
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3752327798 (a.u.)
total exchange computation time: 2.6397359371 s
678.99392141
-1083.74760576
89.78038351
-389.19347281
-174.87539160
78.26286762
551.60419304
0.00000000
-931.41739803
3.92012773 -30.73998374 -2.27201267
0.00005736 0.00002029 -0.00001463
-0.00594097 -0.00818267 -0.01098498
-11.70189286 -2.04322760 -9.17551778
0.00037832 0.00042076 -0.00003236
-0.00679340 -0.01149858 0.00116349
-37.45404346 2.46709423 -0.02089896
-0.00010055 0.00005400 0.00022084
-0.01998355 0.01151117 0.00212784
-11.59412344 -4.00528293 3.83111539
-0.00023169 -0.00017451 -0.00003448
0.01653338 -0.03022875 0.00284060
4.50390866 -3.87895855 9.40894302
-0.00044126 -0.00014922 -0.00022676
-0.00070967 -0.00895254 0.00666928
-31.89097908 -0.79532266 -0.59274316
-0.00005923 0.00057744 0.00018192
-0.01034384 -0.03448734 -0.01644782
14.84072026 12.60567302 -14.01195129
-0.00056856 0.00011773 0.00001732
0.01867922 -0.01856293 0.06095547
-7.70098476 5.94422555 2.51786151
0.00002964 0.00023074 0.00010791
-0.00566073 -0.02822522 -0.05130154
7.53226592 12.59735428 -5.66326354
0.00030649 0.00012974 -0.00029533
0.00586039 -0.01110222 0.01873558
8.88814260 9.83870481 -19.02966247
-0.00004896 0.00007969 0.00009974
0.01766289 0.00456321 -0.00696305
23.33758948 17.32662468 -2.12522989
0.00016679 -0.00011227 -0.00005022
-0.01649412 0.03651666 -0.00165939
2.27584356 16.91285831 -19.35864598
-0.00000145 -0.00000374 -0.00056359
-0.00299198 -0.02705200 0.02961005
14.05172430 -1.35516726 -5.40988524
-0.00019762 0.00028915 -0.00034588
-0.00205918 0.00243131 -0.00821571
-16.10490612 -1.68376906 3.21014286
0.00013223 0.00065450 -0.00016174
0.01304326 0.00013997 0.01346470
-16.93729423 -1.80216922 19.29558420
0.00013047 -0.00016036 -0.00044450
-0.00210780 0.00672740 -0.01253066
0.32743762 2.07364121 -5.06013796
0.00025695 -0.00010098 0.00022926
-0.00282705 0.02461926 -0.00113109
22.46112735 -7.18410657 -8.94163514
0.00042465 0.00002220 0.00013502
0.00809613 -0.00582732 -0.00074516
-0.53683090 -6.43598442 7.24722647
-0.00025045 -0.00001464 -0.00002403
0.00205121 0.01115188 -0.00092646
-1.82429242 -1.41392602 -19.29712023
0.00022806 0.00007359 -0.00000271
-0.01207572 -0.03786746 -0.01132761
3.30887539 2.17398085 -9.29585717
-0.00020705 -0.00024418 0.00003433
0.01430701 -0.00864866 0.02729911
-3.76593269 17.96482276 12.20234213
-0.00025161 -0.00013360 0.00023539
0.01855505 0.01616345 0.02462934
-3.79838272 4.98911609 -11.21504079
-0.00019572 -0.00002329 0.00031959
0.01503941 -0.01336959 0.04157043
-8.09634669 3.15321203 -8.98861049
0.00038237 -0.00024000 -0.00009348
0.01541254 0.00041139 0.00466026
2.07235160 27.34835512 8.50750482
0.00036349 0.00008938 0.00027256
-0.02201798 0.01050425 -0.00853581
9.96059581 -6.19306517 -1.95381969
-0.00026121 -0.00001184 0.00019377
-0.00286726 0.01320987 -0.00949818
-8.79132397 0.67826481 5.93262553
0.00010160 0.00028948 0.00013289
0.01809733 0.01667392 -0.01668942
20.39723308 10.73072394 8.85689510
-0.00014620 0.00024360 0.00010438
-0.00264637 -0.03086683 0.00287290
-2.57784695 -2.14185535 -27.18456388
0.00051224 0.00009757 -0.00011606
-0.02286544 -0.01418652 0.01149358
-14.29938440 6.08102976 7.54300192
-0.00002049 0.00006967 0.00025944
-0.00844659 0.01836939 -0.00469165
-9.77064681 7.23331496 -2.62394542
0.00041541 0.00009476 0.00026730
-0.00219127 -0.00237779 -0.00090326
-1.74057448 -15.73948105 23.87102825
-0.00024180 0.00031180 -0.00044652
0.01428154 0.02471180 0.00186217
-2.60780197 6.32857116 -6.37655968
-0.00010868 -0.00007994 0.00016277
-0.01596870 0.02014713 -0.00530810
-20.19875055 31.09698074 4.47789392
0.00049073 -0.00000973 -0.00026725
0.01526656 -0.02862737 -0.02611080
7.58213629 0.02515232 8.02517783
0.00004947 0.00001242 -0.00021469
0.00707682 0.02368683 0.02518418
5.55891434 11.35353435 -13.86602216
0.00031864 0.00027053 0.00034839
0.03669790 -0.00585442 0.04164811
15.71363696 3.03594489 -1.96619542
-0.00034992 -0.00031708 0.00002069
0.00171364 0.02161672 0.00072432
-4.19750493 13.59483133 -1.06374034
-0.00028773 -0.00010642 0.00027883
-0.00851403 -0.01003612 -0.00674523
4.56898628 12.58873279 3.25979941
0.00016296 -0.00029769 -0.00018074
-0.02622449 -0.02235113 -0.00646323
24.84909722 -11.74575395 -9.57728705
0.00011609 0.00014696 -0.00020849
0.02293250 -0.00879390 -0.01057860
16.42011917 -3.86848573 -0.40625658
0.00008141 0.00029690 -0.00010854
0.03856455 -0.02038130 -0.00523090
12.94265698 7.90763279 9.94794732
0.00000247 0.00012999 0.00029793
0.02374827 -0.00026892 -0.04090640
1.63292386 -13.84424537 17.67868852
-0.00020040 -0.00025276 -0.00005425
0.01140407 -0.04340195 -0.01239862
-4.35677210 -0.68350913 -14.49704112
0.00023315 -0.00004869 0.00031335
-0.02600254 -0.01747707 0.05940717
15.06062874 -8.05119796 -9.02593093
0.00021947 0.00050883 0.00010137
0.02482176 0.04555848 0.02022270
8.72368048 -6.70529196 8.60402866
-0.00043500 -0.00050037 0.00034323
-0.01059083 0.01261362 0.00531077
-21.33376017 2.28725314 22.66832141
0.00013964 0.00014877 0.00013740
0.01711129 0.00587390 -0.03615321
25.81018889 -3.18890083 -7.86951166
-0.00018012 -0.00011981 -0.00029804
-0.00156504 0.00490904 0.01528515
9.83481129 -14.13632671 -7.77737657
-0.00003882 0.00005547 -0.00035395
-0.01190756 -0.01567114 -0.00438268
-6.41637723 -12.23797867 16.79351483
-0.00047071 -0.00041001 0.00019730
0.00854555 0.01936644 0.01270075
8.21214483 3.46376328 -29.43747944
-0.00016783 0.00004619 0.00017464
0.01830580 -0.03036112 0.00921343
10.86724720 15.53198301 15.22905029
-0.00018252 -0.00040304 0.00018670
0.02684899 0.00038110 -0.00185187
28.54696772 6.03854880 -3.07249253
0.00008277 -0.00001133 -0.00031720
0.01193411 0.00054879 -0.02194214
5.34937942 -31.20311274 -3.31304514
0.00013187 0.00036602 0.00041040
0.00728652 -0.00687422 -0.00150789
3.90256119 -31.68162619 -0.73483241
-0.00009551 -0.00012314 -0.00013674
0.01014231 -0.00392098 0.01446688
-11.66114152 -3.83374199 -8.60414090
-0.00001704 -0.00018478 -0.00038506
-0.00055068 0.01230777 -0.00069657
-12.68212572 -2.09008485 -10.71763080
-0.00041363 0.00034478 -0.00026092
0.00404354 0.00601609 0.00024643
-39.00596588 2.12451339 0.98935432
0.00002085 -0.00007321 -0.00035757
0.02327759 0.00350640 -0.01355898
-37.76159214 4.15025481 -0.95871743
-0.00008072 0.00000680 0.00004813
0.00051556 -0.03030640 0.01471499
-10.79117136 -5.77161415 3.57715181
0.00019887 -0.00023452 0.00035713
-0.00827491 0.03935312 0.00066914
-10.28533752 -2.72595287 3.62191240
-0.00043550 0.00067139 -0.00000982
0.00005590 -0.01082394 0.00014435
5.33087867 -2.47512658 8.57991873
-0.00003271 0.00022038 -0.00134101
0.00145108 0.00700100 0.00332830
4.69646351 -3.55469622 11.22238652
0.00068400 -0.00023436 -0.00001402
-0.00571592 0.00098222 -0.00453895
-33.35030272 -1.88891012 -0.79832861
-0.00018341 0.00057005 0.00008982
0.00278332 -0.00489115 0.00209920
-32.61645368 0.50534748 0.33740276
-0.00039686 -0.00018121 0.00125571
-0.01369019 0.03856623 0.02165256
14.69957139 12.82677320 -15.75800239
-0.00034270 -0.00057676 0.00137245
0.00479945 0.00331427 -0.03840799
16.51497347 11.90582095 -13.48045310
0.00013687 -0.00052935 0.00080271
-0.02232735 0.01247041 -0.01872758
-8.60788044 7.04051323 1.28689597
-0.00040123 -0.00012129 0.00034473
0.01074677 -0.00797977 0.01874287
-7.36654140 4.47833790 1.21055170
-0.00050930 0.00010864 0.00025400
-0.00152573 0.03525692 0.03355778
6.13800877 12.35538393 -6.74018067
0.00004703 -0.00029418 -0.00022914
-0.01820821 0.00072476 -0.01978086
8.88543234 13.61351167 -6.52784975
-0.00061204 -0.00037155 -0.00043363
-0.00195267 0.00418552 -0.00163346
8.63659228 8.90581785 -20.59748711
-0.00095878 -0.00057049 0.00014524
0.00641904 0.00666002 0.00700455
10.56123348 10.75817958 -19.17674347
-0.00080717 0.00156889 -0.00036456
-0.02274089 -0.01435620 -0.00162136
24.03136616 15.76636975 -2.66053981
-0.00076926 -0.00025427 0.00022706
0.00609021 -0.03004819 -0.00565697
24.83744908 18.37815586 -2.42290764
0.00096811 -0.00098357 -0.00017529
-0.01050553 0.01107326 0.00893297
1.57067849 16.94751654 -21.02360234
-0.00037641 -0.00127859 0.00071505
-0.00399324 0.00856571 -0.02288366
2.74180228 15.06967157 -19.12157235
-0.00034943 0.00011239 -0.00006882
0.01075750 0.02521617 -0.00144504
12.90941637 -1.00404626 -6.82414037
0.00025196 0.00164178 0.00013879
0.00271947 -0.01002344 0.00499015
13.09990304 -1.26864173 -3.84450765
0.00087074 -0.00054428 0.00071615
0.00044365 0.00556243 -0.00509327
-17.39952120 -2.98011700 3.38261221
0.00007166 -0.00078953 -0.00056755
0.00078142 -0.00200775 -0.00428621
-14.45635814 -2.54631372 3.45141652
-0.00056275 -0.00038360 0.00082307
-0.01624010 0.00065022 -0.00727153
-16.11041422 -0.23453806 19.83842582
0.00062514 -0.00036466 0.00040164
-0.00857030 0.00638473 0.00915231
-15.61684192 -3.00217955 19.39387833
0.00078622 -0.00063397 -0.00007377
0.01572775 -0.01592765 0.00640475
-0.80970972 0.63362561 -5.21711763
-0.00071766 0.00014368 -0.00021902
-0.00730098 -0.00621068 0.00598127
-0.78780242 3.56740811 -4.88330481
0.00006200 -0.00064257 -0.00043068
0.00606918 -0.01528396 -0.00175359
23.30910650 -8.85464074 -9.33005591
-0.00017933 -0.00041781 -0.00007978
-0.00746413 0.03383313 0.01305878
23.62687515 -5.77949411 -8.49331017
-0.00020566 0.00042049 -0.00052486
-0.00117590 -0.02286477 -0.00527439
0.50316975 -5.86610392 5.83215057
-0.00032417 0.00030248 0.00046809
-0.00155989 -0.00498768 -0.00101661
-0.22121467 -5.11611245 8.48414357
0.00088553 0.00007539 -0.00023097
0.00033746 -0.01151598 0.00203387
-1.06050336 -3.02550042 -18.75792306
-0.00031511 0.00082182 -0.00055659
0.00252755 0.01729544 -0.00030755
-3.10855681 -2.14886767 -20.47699251
0.00035860 -0.00011855 -0.00048719
0.00626952 0.01826554 0.01125137
2.77412736 2.30025750 -10.97038062
-0.00047547 -0.00054146 -0.00014156
-0.00728737 0.00812064 -0.03712694
1.89514323 2.65947229 -8.24133828
0.00073795 0.00058749 -0.00003522
-0.00152304 -0.00194796 0.01244272
-2.35671027 16.75727702 12.67311523
0.00038898 -0.00098654 -0.00031281
-0.01131559 0.00768250 -0.00852126
-3.46083925 19.41188444 13.42316812
0.00000386 0.00018552 -0.00027198
-0.00882256 -0.03126432 -0.01659080
-4.43765944 6.25857107 -12.23382700
-0.00007912 -0.00099681 0.00088805
-0.01643559 0.03106891 -0.02845213
-3.04555457 3.69335413 -12.16504915
-0.00112127 0.00140866 -0.00034783
0.00380371 -0.02031037 -0.02049064
-7.79374787 2.22314198 -7.44315203
-0.00043162 -0.00052033 0.00043180
-0.00079232 0.00032185 -0.00181846
-6.37834501 3.69443455 -9.46315387
-0.00074309 -0.00067988 0.00035916
-0.01895143 -0.00275175 -0.00061580
2.08200437 28.31143630 6.90655749
0.00057527 0.00054200 -0.00027288
0.00558500 -0.00901107 0.01073204
0.35846862 27.69959920 9.10495428
0.00086920 0.00060552 -0.00007528
0.01411514 -0.00135463 -0.00185654
10.77891350 -7.07799072 -0.60471273
-0.00062868 -0.00091691 -0.00081186
0.00725274 -0.00747473 0.01220084
8.76250471 -7.36693779 -2.65900259
0.00003282 0.00037029 -0.00046253
-0.00274612 -0.00433776 0.00094261
-7.01760544 0.25214818 6.30344683
-0.00034028 0.00038022 -0.00010981
0.00472292 0.00850576 -0.00234892
-9.43398296 -0.70049360 6.81465988
0.00063573 -0.00052630 0.00000960
-0.03152499 -0.02475193 0.02147256
21.70371769 10.16408501 10.01855429
0.00049440 -0.00083596 -0.00041454
-0.00369857 0.00504512 0.00126548
20.86812853 12.39070530 8.37941953
0.00027692 -0.00060780 -0.00068576
0.00708942 0.03039357 -0.00487964
-1.53264118 -3.45153713 -26.29006094
0.00039907 -0.00130655 -0.00032831
-0.01698087 0.01794869 -0.00626647
-4.41493640 -2.21883994 -26.60520666
0.00009413 0.00017112 -0.00046011
0.04371700 -0.00122424 -0.00832065
-14.31002203 7.23551675 8.96581425
0.00031019 0.00035609 0.00012218
0.00283450 -0.00727874 0.00276471
-15.01466375 7.26828098 6.30202203
-0.00106178 0.00021660 0.00083647
0.00815709 -0.01395008 0.00160654
-11.22678713 6.76081596 -3.63469145
-0.00015988 0.00080123 0.00008018
0.00753757 0.01059010 0.00183546
-8.68781130 8.33207031 -3.67613186
0.00002581 0.00044162 -0.00060725
-0.00775594 -0.00799877 0.00077704
-1.14646616 -17.42561060 23.46425760
-0.00062163 0.00026385 0.00010067
-0.00237656 -0.01047121 -0.00167808
-3.45108110 -15.68722274 24.44619048
0.00147930 -0.00043953 -0.00089576
-0.00961396 -0.00759734 -0.00114272
-2.90645205 5.65756311 -8.08753471
0.00097287 0.00073665 0.00019803
0.00253206 0.00980790 0.01004344
-3.77961262 7.82836208 -6.21431094
0.00001287 -0.00054879 -0.00036156
0.00826847 -0.02561712 -0.00128133
-21.15941616 30.57497575 2.96977319
-0.00018212 0.00010354 -0.00094948
-0.00951038 -0.01020328 0.00912716
-21.28002748 32.15935154 5.38678158
0.00008682 -0.00093023 0.00036275
-0.02784349 0.01612520 0.02103507
7.03545567 -0.14134977 6.32173164
0.00025090 0.00104783 0.00003225
-0.00824489 -0.00598337 -0.03090636
7.39107157 1.84281341 8.34102244
0.00040004 0.00023048 -0.00155782
0.00026859 -0.01181454 -0.00094791
6.74009466 12.80263865 -13.67993337
0.00053812 -0.00003719 -0.00099347
0.00419743 -0.00982763 -0.00149810
4.42466741 12.05782514 -14.98913190
-0.00113698 -0.00007510 -0.00042676
-0.03295442 0.01467834 -0.03244542
14.48080082 3.90310565 -3.02691985
-0.00002842 -0.00045948 -0.00059335
0.00612925 0.00352672 0.00860403
15.17924892 1.33217437 -1.95594727
-0.00033607 -0.00108111 0.00028726
-0.00204835 -0.01904892 -0.00057205
-2.46276443 13.50202175 -0.51628859
-0.00007141 -0.00019938 0.00027213
-0.00673249 -0.00558258 0.00591662
-5.41963993 12.94515122 0.21784950
0.00007575 -0.00053621 0.00075882
0.01635054 0.00680736 -0.00319749
3.74662397 10.80672156 3.52115500
-0.00028321 -0.00145481 -0.00010467
0.01391322 0.03170367 -0.00003466
6.33118558 12.29283401 3.56252518
-0.00046930 -0.00025047 -0.00056480
0.01417429 -0.00326080 -0.00331452
25.30756066 -13.26429134 -8.64830405
-0.00001110 0.00070934 0.00057848
-0.01082920 0.00712405 0.00307015
26.19773798 -11.58899103 -10.88067395
0.00132195 0.00030488 -0.00059808
-0.01243383 0.00217287 -0.00123234
14.74658864 -4.09807882 -0.95229522
0.00008751 -0.00021442 0.00001284
-0.02232976 0.00432073 -0.00080516
17.18867427 -5.55135309 -0.86930326
0.00011961 -0.00052159 -0.00023538
-0.00676906 0.01959257 0.00955297
12.06677797 8.01078893 11.47378182
0.00085750 -0.00047195 0.00065267
-0.02161616 0.00237983 0.03807186
13.00089252 9.58914605 9.19814814
0.00092330 0.00030384 -0.00007669
0.00333752 0.00115406 0.00453023
-0.03855881 -14.43303722 17.07571600
-0.00010269 0.00031534 0.00036007
0.00716634 0.01057411 0.00379121
1.71919132 -12.18122762 18.24947974
-0.00046715 -0.00030902 0.00007122
-0.00913401 0.03162993 0.00728923
-4.00161003 -2.27149989 -13.53932783
0.00068801 -0.00094511 0.00018767
-0.00487804 0.02122177 -0.01202242
-3.22239234 -0.51795992 -15.80099388
-0.00029728 0.00010575 -0.00003732
0.03882548 -0.00423906 -0.04585320
14.23142260 -8.08614513 -10.60979752
-0.00125592 -0.00025247 0.00090524
-0.00749707 -0.00825945 -0.02962583
16.11587554 -6.35645691 -9.20880356
0.00083083 0.00020549 -0.00018649
-0.01449096 -0.03614866 0.00575132
7.21911115 -5.77736776 9.35185563
0.00006066 0.00025976 -0.00025870
0.01997514 -0.00535279 -0.02333338
9.37116858 -5.68663095 7.17516214
-0.00000024 -0.00027493 -0.00009325
-0.01112577 -0.00825695 0.01605890
-21.05764907 2.09868003 20.79848755
-0.00103153 -0.00091261 0.00076898
-0.00721192 0.00559410 0.02425789
-21.74539532 0.60568457 23.20344735
-0.00003716 -0.00004701 0.00020314
-0.00946265 -0.00873535 0.00984437
26.43891211 -2.92983682 -6.14449195
0.00042330 -0.00027779 -0.00041446
0.00167853 -0.00197577 -0.00591119
25.16236280 -1.50295827 -8.19284369
-0.00005634 -0.00052745 -0.00020248
0.00052243 0.00425956 -0.00721834
8.97034445 -15.82322100 -7.58973422
0.00007827 0.00004756 -0.00008127
0.02185121 0.02066582 -0.00537743
8.66205940 -12.89393321 -7.14788168
0.00056568 -0.00003379 0.00000200
0.00296046 0.00464752 0.00482510
-5.59016009 -11.03471377 17.99840704
-0.00028756 -0.00003233 0.00048882
-0.01309237 -0.01132457 -0.01908837
-7.31810350 -11.23021928 15.52163954
-0.00042606 -0.00059452 0.00033462
0.01428685 -0.00113546 0.00749734
9.15837565 1.82711536 -29.44195400
-0.00149297 -0.00129651 0.00014890
-0.01295086 0.02589475 -0.00482431
6.83791819 3.23271285 -30.58808055
0.00006978 0.00003518 0.00073278
-0.01827592 -0.00934504 -0.00715548
12.59901553 14.91880404 14.59164159
-0.00006625 0.00074949 -0.00088652
-0.01173906 0.00502419 -0.00230000
11.23718153 16.01347769 16.97433712
-0.00037965 -0.00002850 0.00142327
-0.00492089 0.00165508 -0.00045133
29.13670367 4.99182298 -4.50630276
0.00092213 -0.00025678 0.00042013
-0.00012943 0.00313235 0.01291610
26.88990209 6.51589293 -3.64248734
0.00051572 -0.00027618 -0.00021910
-0.01770776 0.00973963 0.00327072
-9.95959562 4.89422020 6.88621773
0.00003783 -0.00010102 -0.00021221
0.00002785 -0.00142287 -0.00648832
-8.67679709 13.26225263 2.59112984
-0.00004385 0.00007525 0.00002340
-0.00204326 -0.00084671 -0.00508282
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09334493
0.32405309
431.78449809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3739573614 (a.u.)
total exchange computation time: 2.6227691174 s
-154.1179278233
-931.41122714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3735767231 (a.u.)
total exchange computation time: 2.6216688156 s
-154.1223740917
Anderson extrapolation: theta=1.3588409925 (1.3588409925)
-931.41143212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3729565643 (a.u.)
total exchange computation time: 2.6204459667 s
-154.1294805085
Anderson extrapolation: theta=0.0542128351 (0.0542128351)
-931.41155604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3728444976 (a.u.)
total exchange computation time: 2.6217699051 s
-154.1307143156
Anderson extrapolation: theta=1.9784936431 (1.9784936431)
-931.41156100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3726076211 (a.u.)
total exchange computation time: 2.6192390919 s
-154.1333049303
Anderson extrapolation: theta=0.2244161875 (0.2244161875)
-931.41156654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3725574672 (a.u.)
total exchange computation time: 2.6212081909 s
-154.1338592313
Anderson extrapolation: theta=1.8679921046 (1.8679921046)
-931.41156771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3724918528 (a.u.)
total exchange computation time: 2.6210529804 s
-154.1346236940
Anderson extrapolation: theta=0.2869693581 (0.2869693581)
-931.41156927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3724994253 (a.u.)
total exchange computation time: 2.6203958988 s
-154.1345906130
Anderson extrapolation: theta=1.3266145543 (1.3266145543)
-931.41156968
-115.574934 22.917111 143.020300
559.338109 1031.638255 -412.680105
443.763175 1054.555366 -269.659805
1175.469773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3725270311 (a.u.)
total exchange computation time: 2.6186070442 s
678.95366690
-1083.67716092
89.79308954
-389.23936007
-174.86927849
78.22691029
551.60419304
0.00000000
-931.41157007
3.92096521 -30.73971089 -2.27227452
0.00005400 0.00001614 -0.00002002
-0.00711745 -0.00795376 -0.00995881
-11.69624431 -2.03696059 -9.17599871
0.00037411 0.00041411 -0.00003267
-0.00955213 -0.01436190 -0.00235781
-37.45562882 2.46794866 -0.01757818
-0.00011024 0.00006007 0.00022150
-0.01768398 0.01207555 0.00043264
-11.59753495 -4.00801720 3.83060921
-0.00022269 -0.00018956 -0.00003301
0.01845003 -0.02827237 0.00285968
4.49728698 -3.88123135 9.40556736
-0.00044068 -0.00015239 -0.00022385
0.00298493 -0.00336523 0.00464575
-31.89190740 -0.78679415 -0.59007781
-0.00006504 0.00056000 0.00017379
-0.01226550 -0.03331479 -0.01518099
14.83226396 12.60736731 -14.01145638
-0.00055738 0.00010717 0.00005249
0.02479400 -0.02250575 0.07582005
-7.70056192 5.94757780 2.51928220
0.00002672 0.00021608 0.00008186
-0.00569763 -0.02878860 -0.04997792
7.53688580 12.59925748 -5.66762116
0.00030804 0.00012327 -0.00028557
0.00019152 -0.01404146 0.01920827
8.88747641 9.83991779 -19.02819328
-0.00004019 0.00008175 0.00009569
0.01640777 0.00345457 -0.00877635
23.34002768 17.32508152 -2.12598956
0.00015834 -0.00009301 -0.00005108
-0.01635970 0.03838342 -0.00168618
2.27581031 16.91269788 -19.36698558
-0.00000221 -0.00001765 -0.00054653
0.00000546 -0.02703688 0.03670538
14.04875205 -1.35082060 -5.41510514
-0.00019818 0.00029023 -0.00034898
-0.00013040 0.00177943 -0.00383458
-16.10287231 -1.67395098 3.20776871
0.00013760 0.00065279 -0.00015459
0.00781522 -0.00678477 0.01432165
-16.93534538 -1.80454873 19.28886835
0.00013114 -0.00015777 -0.00045061
0.00474400 0.00336632 -0.01123301
0.33128096 2.07222147 -5.05670336
0.00025502 -0.00008947 0.00022854
-0.00465588 0.02015862 -0.00169001
22.46752835 -7.18379610 -8.93961269
0.00042813 0.00001884 0.00013444
0.00542093 -0.00721176 -0.00149865
-0.54057967 -6.43616096 7.24686252
-0.00024946 -0.00000870 -0.00002400
0.00179914 0.01192632 0.00100943
-1.82091808 -1.41296822 -19.29720450
0.00022078 0.00005546 -0.00000941
-0.01623931 -0.03263509 -0.01474475
3.30582475 2.17028486 -9.29523692
-0.00019908 -0.00024882 0.00004706
0.01668758 -0.00940121 0.02218487
-3.76963525 17.96288115 12.20596799
-0.00024135 -0.00012616 0.00024795
0.02135363 0.01276905 0.02422220
-3.80126051 4.98871521 -11.21008659
-0.00018795 -0.00003020 0.00034333
0.01516118 -0.01352899 0.05072782
-8.09055175 3.14961365 -8.98999472
0.00038817 -0.00024091 -0.00008978
0.00716696 -0.00396318 0.00974112
2.07771909 27.34973628 8.51156025
0.00035305 0.00009529 0.00026679
-0.01859139 0.01248333 -0.01388759
9.95666660 -6.19319179 -1.95094980
-0.00026291 -0.00000449 0.00018836
-0.00372858 0.01535879 -0.01153154
-8.78973016 0.68267138 5.93455454
0.00010972 0.00029721 0.00012477
0.01348435 0.01338015 -0.01488747
20.39502982 10.73425883 8.85847181
-0.00014730 0.00022654 0.00010655
-0.00162618 -0.03547336 0.00558827
-2.57025160 -2.14044656 -27.18626050
0.00050069 0.00008947 -0.00010965
-0.02202653 -0.01728754 0.01345993
-14.29972433 6.08214562 7.54687546
-0.00002499 0.00007936 0.00025703
-0.00904340 0.01933833 -0.00470510
-9.76442417 7.23472712 -2.61993945
0.00041397 0.00009384 0.00026584
-0.00338485 -0.00117956 -0.00477207
-1.74414642 -15.73470870 23.86433769
-0.00023093 0.00032440 -0.00044671
0.02799829 0.02428675 -0.00261038
-2.60949377 6.32744971 -6.37413864
-0.00011638 -0.00006977 0.00016058
-0.01399255 0.01939897 -0.00319323
-20.19133070 31.09672435 4.47378451
0.00049762 -0.00002478 -0.00028173
0.01153612 -0.02990766 -0.03020899
7.58290564 0.02542996 8.02205456
0.00005321 0.00002480 -0.00020151
0.00744893 0.02444686 0.02610006
5.56383552 11.35756969 -13.86063566
0.00033486 0.00026834 0.00036743
0.02635081 -0.00263878 0.03239040
15.70839474 3.03127202 -1.96588221
-0.00034945 -0.00030751 0.00002104
0.00010357 0.01562858 0.00061465
-4.20185373 13.59319633 -1.05958398
-0.00029183 -0.00011174 0.00027578
-0.00743980 -0.01064173 -0.00509163
4.57132956 12.58418126 3.25706341
0.00014772 -0.00030974 -0.00018416
-0.03304142 -0.02450908 -0.00685452
24.85092701 -11.74358341 -9.58045521
0.00012889 0.00014283 -0.00021511
0.02685609 -0.00728924 -0.01515085
16.42148909 -3.86411079 -0.40790480
0.00010144 0.00028553 -0.00011156
0.03931606 -0.02386522 -0.00651515
12.94278557 7.90958159 9.95225843
0.00001486 0.00013011 0.00027634
0.02444990 0.00072359 -0.04305600
1.62996179 -13.84820416 17.67782698
-0.00019405 -0.00027456 -0.00006037
0.01330948 -0.04138142 -0.01141215
-4.35337511 -0.68430694 -14.49211166
0.00022011 -0.00005860 0.00034429
-0.02470485 -0.02105482 0.06088359
15.06401655 -8.04338980 -9.02433242
0.00023209 0.00053192 0.00011168
0.02424872 0.04425755 0.01989516
8.71711463 -6.71274883 8.60919754
-0.00043977 -0.00049334 0.00034495
-0.00793843 0.01471731 0.00137665
-21.33159959 2.28950737 22.67024298
0.00014801 0.00015108 0.00011998
0.01544836 0.00311602 -0.03158190
25.80748106 -3.19067899 -7.87392336
-0.00018052 -0.00011804 -0.00028993
0.00000517 0.00197461 0.01626932
9.83418309 -14.13555509 -7.78270270
-0.00004446 0.00004701 -0.00035638
-0.01004708 -0.01724455 -0.00509205
-6.42340497 -12.24405418 16.79652325
-0.00046578 -0.00039980 0.00020448
0.01064220 0.02034084 0.01523570
8.20969807 3.46433896 -29.43482426
-0.00015739 0.00002982 0.00017991
0.02226405 -0.03326364 0.01128524
10.86461300 15.52593894 15.23184364
-0.00016830 -0.00040199 0.00018733
0.02845086 0.00367638 0.00431811
28.54825533 6.03838104 -3.07733520
0.00008976 -0.00001112 -0.00032771
0.01525157 0.00025393 -0.01891915
5.35158082 -31.19783307 -3.30693541
0.00016400 0.00033693 0.00040202
0.00843796 -0.00736611 -0.00259255
3.90143928 -31.68359351 -0.73644017
-0.00005388 -0.00013912 -0.00007748
0.01023837 -0.00389940 0.01453988
-11.66141393 -3.83613652 -8.60993821
-0.00001875 -0.00012952 -0.00038802
-0.00028807 0.01474391 -0.00075218
-12.68820624 -2.08472882 -10.72153702
-0.00039192 0.00037013 -0.00025209
0.00658364 0.00639422 0.00407415
-39.00493985 2.12352263 0.98357527
0.00011119 -0.00005982 -0.00040969
0.02094306 0.00304819 -0.01195484
-37.76278713 4.14942817 -0.95754453
-0.00007860 -0.00011685 0.00010821
0.00052416 -0.03022491 0.01469545
-10.78844190 -5.77392603 3.58252928
0.00016515 -0.00007286 0.00035928
-0.00822819 0.03977890 0.00038106
-10.29186825 -2.71621373 3.62176959
-0.00043931 0.00062198 -0.00000859
-0.00192248 -0.01336372 0.00045617
5.33043242 -2.47160627 8.55990558
-0.00003345 0.00023789 -0.00131942
-0.00181189 0.00157026 0.00723962
4.70654833 -3.55818159 11.22203711
0.00065972 -0.00023016 -0.00003692
-0.00616747 0.00107433 -0.00667030
-33.35296865 -1.88050929 -0.79691701
-0.00017058 0.00055038 0.00009804
0.00350165 -0.00473703 0.00192655
-32.62282603 0.50381119 0.35690185
-0.00045017 -0.00002695 0.00134184
-0.01240672 0.03694193 0.02051119
14.69457800 12.81822340 -15.73859258
-0.00032457 -0.00056044 0.00118900
0.00407279 0.00467154 -0.05139000
16.51634236 11.89826290 -13.46898637
0.00003504 -0.00047344 0.00072235
-0.02751750 0.01489774 -0.02060692
-8.61356958 7.03844929 1.29264133
-0.00035835 -0.00015181 0.00041959
0.01024541 -0.00695855 0.01790032
-7.37422766 4.48104792 1.21538998
-0.00051459 0.00025163 0.00039001
-0.00106511 0.03473626 0.03301963
6.13815625 12.35099338 -6.74422394
-0.00002369 -0.00029080 -0.00030633
-0.01641143 0.00093309 -0.01800176
8.87619189 13.60806667 -6.53440428
-0.00061325 -0.00035001 -0.00044401
0.00135864 0.00636113 -0.00344444
8.62240726 8.89746459 -20.59509388
-0.00092990 -0.00053928 0.00017860
0.00772007 0.00861567 0.00932567
10.54842913 10.78127299 -19.18226160
-0.00089957 0.00150802 -0.00037239
-0.02249162 -0.01543704 -0.00220972
24.02001384 15.76163489 -2.65730722
-0.00074343 -0.00038017 0.00020246
0.00655315 -0.03158140 -0.00638491
24.85164882 18.36374165 -2.42526331
0.00092293 -0.00093897 -0.00013826
-0.01160901 0.01075731 0.00919400
1.56490993 16.92860012 -21.01357778
-0.00039912 -0.00124165 0.00060663
-0.00712401 0.00951642 -0.03019029
2.73689050 15.07213006 -19.12264897
-0.00030415 0.00021347 -0.00007358
0.01140499 0.02426585 -0.00088134
12.91327913 -0.97972671 -6.82190566
0.00025816 0.00160078 0.00015646
0.00031698 -0.01004869 0.00366284
13.11297767 -1.27663553 -3.83392153
0.00087330 -0.00052080 0.00068945
0.00081071 0.00593236 -0.00797231
-17.39842238 -2.99202143 3.37396760
0.00008253 -0.00078584 -0.00058671
0.00453811 0.00381180 -0.00509351
-14.46529701 -2.55204778 3.46353968
-0.00062658 -0.00037884 0.00079263
-0.01500790 0.00168192 -0.00762672
-16.10129975 -0.23981238 19.84473089
0.00058767 -0.00034142 0.00043758
-0.00977031 0.00499527 0.00843831
-15.60456668 -3.01217718 19.39296802
0.00083905 -0.00068921 -0.00004870
0.01013411 -0.01111288 0.00586879
-0.82069840 0.63559042 -5.22021966
-0.00074171 0.00012145 -0.00019410
-0.00447222 -0.00466782 0.00621705
-0.78668637 3.55730126 -4.88981873
0.00008517 -0.00069928 -0.00043654
0.00527124 -0.01247898 -0.00111538
23.30618779 -8.85987107 -9.33085247
-0.00020847 -0.00027831 -0.00002623
-0.00679869 0.03445060 0.01315631
23.62375426 -5.77388737 -8.50134474
-0.00020680 0.00032871 -0.00054526
0.00061733 -0.02206547 -0.00471194
0.49825936 -5.86171956 5.83914074
-0.00032844 0.00028204 0.00045921
-0.00053009 -0.00501706 -0.00332938
-0.20792138 -5.11533454 8.48074127
0.00088564 0.00002684 -0.00022202
-0.00028319 -0.01224691 0.00234980
-1.06515260 -3.01264309 -18.76628131
-0.00029799 0.00087993 -0.00055258
0.00585612 0.01114962 0.00227137
-3.10298570 -2.15008615 -20.48395556
0.00038546 -0.00004201 -0.00043956
0.00688043 0.01919858 0.01206442
2.76677194 2.29238437 -10.97364173
-0.00050357 -0.00050876 -0.00028695
-0.00646520 0.00788877 -0.03404234
1.90616580 2.66822497 -8.24148534
0.00072532 0.00058130 0.00001954
-0.00465810 -0.00108224 0.01436524
-2.35122227 16.74271432 12.66816200
0.00033739 -0.00094873 -0.00034822
-0.01393738 0.01082741 -0.00881352
-3.46105170 19.41370926 13.41858010
-0.00003135 0.00005766 -0.00033836
-0.00841216 -0.03132335 -0.01590519
-4.43934993 6.24457091 -12.22137810
-0.00015528 -0.00085345 0.00076163
-0.02084562 0.03910895 -0.03343162
-3.06225700 3.71386169 -12.17089450
-0.00109661 0.00130999 -0.00044048
0.00826297 -0.02799196 -0.02486215
-7.80024651 2.21534683 -7.43673070
-0.00043494 -0.00051469 0.00041801
-0.00083148 0.00243972 -0.00493343
-6.39007205 3.68415201 -9.45778529
-0.00080331 -0.00068625 0.00035296
-0.01052669 -0.00036461 -0.00242140
2.09080459 28.31929024 6.90279316
0.00059828 0.00050006 -0.00022149
0.00567696 -0.01151994 0.01442226
0.37193916 27.70864052 9.10376822
0.00091956 0.00060074 -0.00007981
0.01053669 -0.00098799 -0.00036035
10.76970558 -7.09197335 -0.61651673
-0.00059497 -0.00095030 -0.00075615
0.00924550 -0.00886995 0.01506802
8.76291285 -7.36151643 -2.66591161
0.00001917 0.00035103 -0.00046054
-0.00393435 -0.00508633 0.00003080
-7.02256488 0.25811206 6.30172773
-0.00031423 0.00041436 -0.00011853
0.00802795 0.00821029 -0.00192181
-9.42541299 -0.70914662 6.81546191
0.00050993 -0.00062048 0.00009272
-0.03005654 -0.02134686 0.01921281
21.71102039 10.15170017 10.01237496
0.00047471 -0.00081200 -0.00041332
-0.00594106 0.00668491 -0.00066698
20.87249958 12.38251963 8.36898363
0.00030838 -0.00047743 -0.00070692
0.00830898 0.03342263 -0.00547854
-1.52717550 -3.47058543 -26.29517754
0.00032581 -0.00122613 -0.00035743
-0.01887850 0.02142129 -0.00799040
-4.41218479 -2.21631070 -26.61236335
0.00027483 0.00016590 -0.00049450
0.04473629 -0.00132927 -0.00850968
-14.30528237 7.24063503 8.96773166
0.00032248 0.00032527 0.00013366
0.00318440 -0.00780766 0.00285352
-15.03034053 7.27110257 6.31461838
-0.00102759 0.00015842 0.00084287
0.00858286 -0.01453071 0.00152378
-11.22895428 6.77315899 -3.63343251
-0.00012535 0.00084472 0.00009150
0.00936090 0.01069872 0.00370479
-8.68766188 8.33844954 -3.68521678
-0.00000753 0.00040586 -0.00059967
-0.00856140 -0.00950630 0.00293131
-1.15586343 -17.42197371 23.46571617
-0.00062838 0.00021961 0.00009254
-0.00092614 -0.01118500 -0.00230007
-3.42918622 -15.69404851 24.43271902
0.00140992 -0.00046779 -0.00088992
-0.02434888 -0.00623400 0.00400205
-2.89178143 5.66891335 -8.08425653
0.00098193 0.00077307 0.00023301
0.00190581 0.00802053 0.00708032
-3.77916617 7.81934518 -6.21977356
0.00004344 -0.00064871 -0.00036525
0.00669644 -0.02328993 -0.00052511
-21.16243941 30.57621613 2.95581062
-0.00021556 0.00006429 -0.00090340
-0.00685989 -0.00900774 0.01343189
-21.27957844 32.14589226 5.39286743
-0.00002579 -0.00086533 0.00044782
-0.02727748 0.01564281 0.02060740
7.03896648 -0.12581574 6.32126834
0.00021600 0.00101984 -0.00009961
-0.00883880 -0.00771343 -0.03364126
7.39708042 1.84590858 8.31762610
0.00040154 0.00018418 -0.00155752
0.00046480 -0.01085004 0.00109347
6.74829509 12.80177968 -13.69488139
0.00055646 -0.00007363 -0.00099906
0.00477977 -0.00800925 -0.00123859
4.40660288 12.05714836 -14.99652747
-0.00125193 -0.00002571 -0.00054063
-0.02331574 0.00950137 -0.02329688
14.48056233 3.89632149 -3.03555644
-0.00000317 -0.00044617 -0.00055737
0.00623168 0.00298874 0.00900814
15.17414509 1.31537402 -1.95165584
-0.00034093 -0.00114498 0.00028456
-0.00033167 -0.01221536 -0.00074925
-2.46404183 13.49885997 -0.51202537
-0.00010155 -0.00022178 0.00029479
-0.00802148 -0.00537989 0.00517678
-5.41800263 12.93731665 0.22913375
0.00014289 -0.00050715 0.00074363
0.01651259 0.00741742 -0.00423506
3.74280210 10.78587097 3.51958392
-0.00022363 -0.00131787 -0.00010518
0.01525183 0.03532733 -0.00021699
6.32458037 12.28897701 3.55395154
-0.00040100 -0.00026532 -0.00057644
0.01926072 -0.00400586 -0.00237896
25.30706239 -13.25343297 -8.63953275
-0.00005440 0.00073687 0.00059126
-0.01036983 0.00635355 0.00318419
26.21718622 -11.58435120 -10.88968297
0.00126198 0.00031245 -0.00059443
-0.01692015 0.00153059 0.00302232
14.74721707 -4.10116267 -0.95212722
-0.00000291 -0.00019658 0.00001034
-0.02193333 0.00441062 -0.00042264
17.19026106 -5.55857649 -0.87254116
0.00008950 -0.00043508 -0.00019433
-0.00797458 0.02275310 0.01054041
12.07897807 8.00378266 11.48473845
0.00076899 -0.00046052 0.00080828
-0.02170953 0.00321264 0.03810389
13.01484431 9.59373909 9.19713667
0.00093536 0.00030465 -0.00005454
0.00256312 -0.00075855 0.00631228
-0.03987957 -14.42798307 17.08123319
-0.00007771 0.00035572 0.00037381
0.00506055 0.00918974 0.00293711
1.71190411 -12.18489374 18.25077139
-0.00050368 -0.00018076 0.00010091
-0.00874807 0.03115720 0.00724470
-3.99143939 -2.28502623 -13.53688116
0.00066623 -0.00085088 0.00013457
-0.00578260 0.02490515 -0.01397339
-3.22566182 -0.51650364 -15.80295881
-0.00013985 0.00008823 -0.00022365
0.03823809 -0.00433248 -0.04535329
14.21235409 -8.09018520 -10.59712671
-0.00128441 -0.00028455 0.00078551
-0.00644904 -0.00744467 -0.02898315
16.12789396 -6.35448221 -9.21142469
0.00077022 0.00005895 -0.00016454
-0.01517752 -0.03558346 0.00499488
7.22063317 -5.77363541 9.34726007
0.00013896 0.00023783 -0.00035172
0.01835203 -0.00538129 -0.02219690
9.37082410 -5.69100794 7.17425551
-0.00004754 -0.00031306 -0.00002230
-0.01202756 -0.01040509 0.01866873
-21.07334308 2.08516236 20.81076562
-0.00105851 -0.00088814 0.00085829
-0.00599067 0.00638163 0.01945944
-21.74624264 0.60471168 23.20679606
-0.00007493 -0.00007840 0.00024395
-0.00902595 -0.00662957 0.01013303
26.44531308 -2.93406416 -6.15088996
0.00042923 -0.00028562 -0.00043959
0.00122507 -0.00185865 -0.00638849
25.16153366 -1.51073948 -8.19610202
-0.00005659 -0.00050403 -0.00023265
-0.00064486 0.00720205 -0.00755340
8.97218814 -15.82187429 -7.59111798
0.00016701 0.00013170 -0.00010325
0.02158807 0.02052036 -0.00538475
8.67063525 -12.89429770 -7.14770377
0.00057437 -0.00001154 0.00002334
0.00129384 0.00624402 0.00562090
-5.59487475 -11.03554569 18.00515438
-0.00034352 -0.00008218 0.00040730
-0.01430059 -0.01307654 -0.02081508
-7.32405655 -11.23917185 15.52688856
-0.00036941 -0.00059693 0.00036305
0.01343952 -0.00004360 0.00642059
9.13558430 1.80846118 -29.43986835
-0.00154630 -0.00118558 0.00013021
-0.01315865 0.02840936 -0.00432264
6.83840486 3.23295414 -30.57730808
-0.00001207 -0.00000237 0.00069807
-0.02179048 -0.00903345 -0.00983827
12.59766202 14.93020033 14.57827336
-0.00011436 0.00077004 -0.00089188
-0.01180888 0.00503521 -0.00032756
11.23133598 16.01310091 16.99567231
-0.00040133 -0.00002693 0.00140474
-0.00569289 -0.00088871 -0.00861845
29.15053169 4.98806725 -4.49960497
0.00092077 -0.00024478 0.00047028
-0.00053657 0.00274221 0.01162945
26.89709527 6.51204862 -3.64567368
0.00043739 -0.00023545 -0.00020886
-0.02063393 0.01019972 0.00174276
-9.95902804 4.89270112 6.88301720
0.00003783 -0.00010144 -0.00021449
-0.00002821 -0.00093901 -0.00628488
-8.67745834 13.26337997 2.59147206
-0.00004433 0.00007506 0.00002223
-0.00215160 -0.00082723 -0.00507363
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09307131
0.31849876
424.38362838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3717806282 (a.u.)
total exchange computation time: 2.6212260723 s
-154.1036274948
-931.40564432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3713559784 (a.u.)
total exchange computation time: 2.6211850643 s
-154.1082904017
Anderson extrapolation: theta=1.3571386791 (1.3571386791)
-931.40585711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3706620505 (a.u.)
total exchange computation time: 2.6210370064 s
-154.1157468234
Anderson extrapolation: theta=0.0533814244 (0.0533814244)
-931.40598545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3705328484 (a.u.)
total exchange computation time: 2.6200160980 s
-154.1170574502
Anderson extrapolation: theta=1.9484096107 (1.9484096107)
-931.40599043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3702549784 (a.u.)
total exchange computation time: 2.6249690056 s
-154.1198178155
Anderson extrapolation: theta=0.2184287629 (0.2184287629)
-931.40599580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3701879049 (a.u.)
total exchange computation time: 2.6209180355 s
-154.1204440302
Anderson extrapolation: theta=1.8484314253 (1.8484314253)
-931.40599689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3700863172 (a.u.)
total exchange computation time: 2.6194150448 s
-154.1213639452
Anderson extrapolation: theta=0.2806666401 (0.2806666401)
-931.40599835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3700802031 (a.u.)
total exchange computation time: 2.6234412193 s
-154.1213940005
Anderson extrapolation: theta=1.3288743526 (1.3288743526)
-931.40599875
-115.569534 22.860415 143.047719
559.331262 1031.595759 -412.676365
443.761728 1054.456174 -269.628646
1175.373090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302541915
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3700881669 (a.u.)
total exchange computation time: 2.6201951504 s
678.91440881
-1083.60975551
89.80578398
-389.28313806
-174.86321020
78.19294716
551.60419304
0.00000000
-931.40599915
3.92174777 -30.73949940 -2.27261320
0.00005009 0.00001202 -0.00002480
-0.00809001 -0.00808849 -0.00865323
-11.69066944 -2.03080438 -9.17649783
0.00036854 0.00040610 -0.00003474
-0.01212003 -0.01678241 -0.00570025
-37.45735061 2.46889626 -0.01425406
-0.00011856 0.00006633 0.00022127
-0.01469502 0.01226338 -0.00133133
-11.60080413 -4.01096960 3.83012510
-0.00021283 -0.00020347 -0.00003151
0.01988815 -0.02582831 0.00297399
4.49068833 -3.88353012 9.40222754
-0.00043827 -0.00015277 -0.00022197
0.00636348 0.00185912 0.00267584
-31.89293035 -0.77852265 -0.58752957
-0.00007200 0.00054354 0.00016659
-0.01480262 -0.03069893 -0.01280483
14.82399894 12.60888799 -14.01037654
-0.00054337 0.00009478 0.00009477
0.02968221 -0.02567281 0.08858769
-7.70018304 5.95070796 2.52031733
0.00002383 0.00020122 0.00005674
-0.00557163 -0.02901483 -0.04770486
7.54150717 12.60105236 -5.67183059
0.00030651 0.00011525 -0.00027569
-0.00616057 -0.01714554 0.01919981
8.88693680 9.84115743 -19.02679180
-0.00003217 0.00008323 0.00009080
0.01480468 0.00227691 -0.01023446
23.34233967 17.32383447 -2.12676224
0.00015005 -0.00007310 -0.00005202
-0.01587300 0.03904427 -0.00197000
2.27577711 16.91232886 -19.37504202
-0.00000153 -0.00003137 -0.00052607
0.00264616 -0.02630507 0.04287742
14.04577880 -1.34646022 -5.42035462
-0.00019772 0.00029095 -0.00034982
0.00191403 0.00098732 0.00055626
-16.10077821 -1.66418524 3.20550505
0.00014032 0.00064764 -0.00014704
0.00278426 -0.01327387 0.01504107
-16.93335994 -1.80690227 19.28206583
0.00013537 -0.00015691 -0.00045601
0.01170681 -0.00003587 -0.00977401
0.33508837 2.07095725 -5.05328179
0.00025219 -0.00008036 0.00022752
-0.00636020 0.01524734 -0.00227658
22.47397117 -7.18354128 -8.93760179
0.00043011 0.00001485 0.00013350
0.00228744 -0.00830101 -0.00217468
-0.54431456 -6.43624549 7.24650635
-0.00024861 -0.00000242 -0.00002301
0.00148194 0.01249146 0.00285753
-1.81766902 -1.41226218 -19.29740253
0.00021139 0.00004026 -0.00001782
-0.02026004 -0.02648772 -0.01794986
3.30290285 2.16651633 -9.29444552
-0.00019005 -0.00025382 0.00005685
0.01843336 -0.01006975 0.01592046
-3.77317307 17.96103806 12.20978073
-0.00022977 -0.00012054 0.00026013
0.02367884 0.00907935 0.02314358
-3.80402134 4.98820995 -11.20474104
-0.00018017 -0.00003704 0.00037130
0.01509018 -0.01305094 0.05806827
-8.08470152 3.14598469 -8.99130380
0.00038947 -0.00024411 -0.00008345
-0.00210813 -0.00848274 0.01484880
2.08294315 27.35121374 8.51550855
0.00034448 0.00010209 0.00025839
-0.01473599 0.01397445 -0.01879566
9.95270863 -6.19319993 -1.94816887
-0.00026499 0.00000384 0.00018205
-0.00437280 0.01703142 -0.01302181
-8.78803232 0.68718117 5.93636869
0.00011534 0.00030296 0.00011774
0.00836352 0.00898662 -0.01244751
20.39281402 10.73752007 8.86009164
-0.00014782 0.00020747 0.00010998
-0.00038476 -0.03867324 0.00775302
-2.56282617 -2.13917114 -27.18785329
0.00048971 0.00007991 -0.00010238
-0.02067326 -0.01990930 0.01481489
-14.30013403 6.08341067 7.55071270
-0.00002975 0.00008947 0.00025464
-0.00946897 0.01995447 -0.00456893
-9.75822765 7.23613018 -2.61597030
0.00041194 0.00009353 0.00026248
-0.00451950 -0.00001836 -0.00829277
-1.74750237 -15.72974898 23.85762698
-0.00021290 0.00033672 -0.00044925
0.04209943 0.02362363 -0.00727803
-2.61129350 6.32647792 -6.37174223
-0.00012297 -0.00006011 0.00015954
-0.01163049 0.01820244 -0.00085977
-20.18382186 31.09623723 4.46944205
0.00050237 -0.00004021 -0.00029798
0.00693708 -0.03007817 -0.03297637
7.58373246 0.02589620 8.01913265
0.00005704 0.00003743 -0.00018818
0.00747366 0.02470086 0.02570348
5.56895999 11.36158466 -13.85499929
0.00034562 0.00026779 0.00038164
0.01551610 0.00047078 0.02288450
15.70315332 3.02671972 -1.96556425
-0.00034978 -0.00030108 0.00002137
-0.00135384 0.00934226 0.00066187
-4.20625994 13.59147923 -1.05546690
-0.00029535 -0.00011734 0.00027353
-0.00624241 -0.01114697 -0.00365567
4.57341793 12.57944065 3.25427453
0.00012924 -0.00032271 -0.00018778
-0.03883821 -0.02594406 -0.00721307
24.85296398 -11.74146911 -9.58374026
0.00014355 0.00013949 -0.00022394
0.03015938 -0.00570028 -0.01918659
16.42316233 -3.85991997 -0.40960329
0.00012154 0.00027250 -0.00011525
0.03886878 -0.02677892 -0.00784864
12.94310279 7.91153597 9.95623739
0.00002736 0.00013072 0.00025411
0.02415591 0.00166914 -0.04335531
1.62710240 -13.85248219 17.67687740
-0.00018664 -0.00029494 -0.00006584
0.01550222 -0.03786984 -0.00985925
-4.35016872 -0.68526718 -14.48671249
0.00020818 -0.00007007 0.00037528
-0.02169027 -0.02353420 0.05965493
15.06759145 -8.03524021 -9.02258042
0.00024416 0.00055418 0.00012154
0.02269252 0.04229395 0.01844444
8.71048753 -6.72009215 8.61437705
-0.00044311 -0.00048537 0.00034471
-0.00508015 0.01629095 -0.00228436
-21.32931984 2.29178564 22.67192092
0.00015549 0.00015193 0.00010513
0.01363725 0.00015978 -0.02616525
25.80477327 -3.19244191 -7.87820954
-0.00018015 -0.00011775 -0.00028139
0.00143254 -0.00086363 0.01693941
9.83347738 -14.13491650 -7.78806810
-0.00004909 0.00003792 -0.00035920
-0.00795853 -0.01808436 -0.00586008
-6.43035060 -12.24997277 16.79964921
-0.00045983 -0.00038924 0.00021289
0.01250600 0.02072529 0.01746082
8.20742306 3.46465803 -29.43208202
-0.00014519 0.00001211 0.00018611
0.02519507 -0.03561663 0.01280203
10.86219830 15.51992324 15.23467030
-0.00015335 -0.00039930 0.00019096
0.02966523 0.00677396 0.00980011
28.54966061 6.03821523 -3.08232383
0.00009828 -0.00001097 -0.00033664
0.01788568 0.00030833 -0.01580630
5.35429935 -31.19300485 -3.30098456
0.00020043 0.00030601 0.00038944
0.00939805 -0.00776696 -0.00356488
3.90094483 -31.68579981 -0.73715683
-0.00001191 -0.00015446 -0.00001874
0.01030570 -0.00360977 0.01421152
-11.66170400 -3.83762745 -8.61578161
-0.00001940 -0.00006503 -0.00039105
-0.00002948 0.01682024 -0.00072988
-12.69388326 -2.07898092 -10.72519355
-0.00036024 0.00039694 -0.00022832
0.00892526 0.00673031 0.00756307
-39.00263030 2.12271868 0.97706356
0.00019070 -0.00004862 -0.00045444
0.01797791 0.00243491 -0.00995008
-37.76395000 4.14674916 -0.95547099
-0.00007656 -0.00023905 0.00016762
0.00047329 -0.02959256 0.01438292
-10.78621672 -5.77380001 3.58793010
0.00013211 0.00008911 0.00036013
-0.00794987 0.03950746 0.00003859
-10.29851680 -2.70729361 3.62165473
-0.00045077 0.00056271 -0.00000615
-0.00368734 -0.01564882 0.00073570
5.32987512 -2.46798973 8.54033612
-0.00004719 0.00023408 -0.00128224
-0.00491096 -0.00343758 0.01096014
4.71625516 -3.56160111 11.22127891
0.00063373 -0.00022556 -0.00006780
-0.00655399 0.00117642 -0.00844360
-33.35541997 -1.87239876 -0.79538733
-0.00015509 0.00053133 0.00010557
0.00408024 -0.00458644 0.00175876
-32.62995875 0.50453893 0.37765799
-0.00049668 0.00011770 0.00142102
-0.01036209 0.03386610 0.01824635
14.68983421 12.80995990 -15.72233226
-0.00030928 -0.00053917 0.00095590
0.00341262 0.00574119 -0.06271796
16.51602481 11.89161786 -13.45878256
-0.00008567 -0.00040855 0.00063516
-0.03157112 0.01686427 -0.02207330
-8.61863082 7.03595889 1.29948374
-0.00031813 -0.00017740 0.00049022
0.00944163 -0.00556612 0.01667475
-7.38197921 4.48588680 1.22225192
-0.00051774 0.00039106 0.00052270
-0.00047627 0.03351804 0.03193418
6.13729793 12.34666002 -6.74937048
-0.00008571 -0.00028629 -0.00037519
-0.01394585 0.00127340 -0.01570551
8.86703471 13.60301151 -6.54116990
-0.00060088 -0.00031949 -0.00046188
0.00469754 0.00857751 -0.00530441
8.60869537 8.88963935 -20.59212911
-0.00089589 -0.00050050 0.00022068
0.00892666 0.01037043 0.01127262
10.53424635 10.80342032 -19.18791515
-0.00099006 0.00144331 -0.00038259
-0.02180150 -0.01624167 -0.00278263
24.00906314 15.75496452 -2.65446594
-0.00071654 -0.00050985 0.00017571
0.00660984 -0.03189528 -0.00670987
24.86513709 18.34998672 -2.42705552
0.00087348 -0.00089573 -0.00010032
-0.01259872 0.01041207 0.00937685
1.55870476 16.91026692 -21.00540346
-0.00043409 -0.00120123 0.00047005
-0.00999098 0.01027361 -0.03666510
2.73267767 15.07607570 -19.12377961
-0.00025615 0.00030965 -0.00007592
0.01209555 0.02281623 -0.00026551
12.91716132 -0.95602300 -6.81944647
0.00025444 0.00155988 0.00016856
-0.00213850 -0.00996806 0.00225679
13.12610200 -1.28426576 -3.82382400
0.00087722 -0.00049574 0.00065111
0.00110654 0.00633464 -0.01079758
-17.39704544 -3.00369225 3.36501084
0.00010781 -0.00075901 -0.00060897
0.00783672 0.00932213 -0.00580271
-14.47515567 -2.55767877 3.47519542
-0.00068482 -0.00037013 0.00076087
-0.01349732 0.00258093 -0.00791978
-16.09278407 -0.24478055 19.85155311
0.00054533 -0.00032407 0.00047043
-0.01095838 0.00349647 0.00764231
-15.59167036 -3.02285588 19.39241738
0.00086880 -0.00072447 -0.00002592
0.00442753 -0.00614675 0.00528220
-0.83196116 0.63726916 -5.22294067
-0.00075390 0.00010571 -0.00016817
-0.00149088 -0.00303977 0.00647443
-0.78524727 3.54642961 -4.89640101
0.00010450 -0.00074375 -0.00043975
0.00419187 -0.00928565 -0.00045484
23.30285241 -8.86299005 -9.33084273
-0.00023432 -0.00013775 0.00002730
-0.00585347 0.03435673 0.01304356
23.62067120 -5.76963294 -8.50966809
-0.00020024 0.00024100 -0.00056323
0.00259340 -0.02086834 -0.00408485
0.49331648 -5.85764268 5.84592686
-0.00032846 0.00026158 0.00044084
0.00052289 -0.00500043 -0.00566377
-0.19464545 -5.11530719 8.47748298
0.00088329 -0.00002437 -0.00021152
-0.00086899 -0.01282046 0.00279068
-1.06944294 -2.99910244 -18.77450035
-0.00026675 0.00091161 -0.00053774
0.00943541 0.00435446 0.00498897
-3.09699292 -2.15012802 -20.49017924
0.00041406 0.00003776 -0.00038930
0.00711990 0.01985167 0.01253726
2.75902030 2.28499471 -10.97898917
-0.00052750 -0.00047709 -0.00041694
-0.00524976 0.00761181 -0.02958957
1.91690290 2.67691132 -8.24075200
0.00070039 0.00057860 0.00008172
-0.00754458 -0.00023926 0.01606963
-2.34658844 16.72881519 12.66266861
0.00027587 -0.00089872 -0.00038448
-0.01617828 0.01365277 -0.00893603
-3.46177970 19.41361439 13.41301730
-0.00006463 -0.00006900 -0.00040097
-0.00787736 -0.03067905 -0.01474469
-4.44231798 6.23296760 -12.21097809
-0.00024789 -0.00068055 0.00061758
-0.02448485 0.04552668 -0.03707965
-3.07845301 3.73265373 -12.17826356
-0.00105495 0.00118193 -0.00054997
0.01213007 -0.03469347 -0.02873454
-7.80679611 2.20770121 -7.43061172
-0.00043823 -0.00050063 0.00039188
-0.00077857 0.00444562 -0.00785932
-6.40244423 3.67384713 -9.45256511
-0.00082717 -0.00068229 0.00033888
-0.00115372 0.00230273 -0.00447002
2.09995272 28.32643817 6.89991272
0.00062162 0.00044858 -0.00015621
0.00575080 -0.01368038 0.01753473
0.38605544 27.71762129 9.10256008
0.00095445 0.00059772 -0.00007794
0.00654293 -0.00048718 0.00127293
10.76106427 -7.10649959 -0.62739728
-0.00055385 -0.00098874 -0.00068998
0.01088734 -0.00994680 0.01732182
8.76307987 -7.35640679 -2.67281875
0.00000097 0.00032903 -0.00046213
-0.00497804 -0.00568584 -0.00080984
-7.02703231 0.26457912 6.29989085
-0.00027494 0.00044708 -0.00012540
0.01120244 0.00780636 -0.00143757
-9.41868506 -0.71910791 6.81744142
0.00039141 -0.00069827 0.00016518
-0.02795861 -0.01673436 0.01625754
21.71795898 10.13972503 10.00615475
0.00044620 -0.00078146 -0.00041958
-0.00801499 0.00826338 -0.00239869
20.87737986 12.37638231 8.35821197
0.00034405 -0.00033741 -0.00072984
0.00915504 0.03511766 -0.00574116
-1.52286680 -3.48832091 -26.30078385
0.00024575 -0.00113248 -0.00039287
-0.02031103 0.02441722 -0.00935979
-4.40669146 -2.21386292 -26.62004157
0.00045765 0.00016024 -0.00052907
0.04475611 -0.00144234 -0.00841593
-14.30034755 7.24527481 8.96982395
0.00033617 0.00029247 0.00014556
0.00351386 -0.00824514 0.00297201
-15.04549131 7.27303363 6.32730811
-0.00099198 0.00009840 0.00084854
0.00884701 -0.01484808 0.00125422
-11.23054774 6.78615770 -3.63194651
-0.00008404 0.00088831 0.00011007
0.01086171 0.01063813 0.00538550
-8.68803715 8.34424617 -3.69412206
-0.00004364 0.00036435 -0.00058357
-0.00911482 -0.01081375 0.00494905
-1.16531746 -17.41902231 23.46703377
-0.00062931 0.00017315 0.00008199
0.00046927 -0.01155821 -0.00286354
-3.40878360 -15.70125634 24.41949284
0.00127962 -0.00049069 -0.00086275
-0.03943250 -0.00497758 0.00929711
-2.87699401 5.68075515 -8.08054443
0.00098852 0.00080198 0.00025528
0.00131883 0.00613231 0.00382255
-3.77830932 7.80890093 -6.22526836
0.00006677 -0.00073801 -0.00036572
0.00472232 -0.02042599 0.00029206
-21.16588307 30.57690447 2.94267123
-0.00023856 0.00002970 -0.00084051
-0.00439634 -0.00792662 0.01735485
-21.28080113 32.13339167 5.40021622
-0.00013392 -0.00080445 0.00052929
-0.02565339 0.01415783 0.01927011
7.04193559 -0.11075444 6.31874330
0.00017943 0.00098507 -0.00024002
-0.00905936 -0.00930851 -0.03508945
7.40311775 1.84833878 8.29429677
0.00040377 0.00014249 -0.00154882
0.00062863 -0.00955514 0.00316843
6.75678846 12.80042986 -13.70990531
0.00057713 -0.00010257 -0.00100364
0.00533984 -0.00615966 -0.00100167
4.38710943 12.05705389 -15.00535081
-0.00132650 0.00000264 -0.00061657
-0.01318601 0.00437482 -0.01387790
14.48070576 3.88972050 -3.04364095
0.00002218 -0.00043491 -0.00052004
0.00617506 0.00252255 0.00926651
15.16902093 1.29782503 -1.94741033
-0.00033873 -0.00118047 0.00028105
0.00140856 -0.00515715 -0.00097222
-2.46581084 13.49536847 -0.50744489
-0.00013661 -0.00024331 0.00031446
-0.00914384 -0.00516279 0.00445277
-5.41535334 12.92993666 0.24015844
0.00021013 -0.00047586 0.00072462
0.01640466 0.00789814 -0.00507176
3.73991496 10.76718546 3.51799954
-0.00015936 -0.00116776 -0.00010629
0.01620864 0.03815272 -0.00032696
6.31915557 12.28487451 3.54523211
-0.00031312 -0.00028307 -0.00058449
0.02375787 -0.00468652 -0.00156176
25.30592859 -13.24218523 -8.63056631
-0.00009567 0.00076101 0.00060459
-0.00983230 0.00546545 0.00334409
26.23559749 -11.57961757 -10.89850677
0.00118485 0.00031745 -0.00057452
-0.02083624 0.00091668 0.00672391
14.74650129 -4.10397622 -0.95198512
-0.00008985 -0.00017816 0.00000994
-0.02062482 0.00460669 0.00022613
17.19135912 -5.56440545 -0.87513308
0.00005504 -0.00033699 -0.00014967
-0.00889068 0.02526011 0.01131779
12.08984767 7.99697328 11.49803032
0.00068211 -0.00044595 0.00096046
-0.02081684 0.00392259 0.03638581
13.02895318 9.59828563 9.19651205
0.00094423 0.00029799 -0.00002528
0.00178109 -0.00250380 0.00800697
-0.04089019 -14.42236571 17.08693039
-0.00006188 0.00039019 0.00038389
0.00268928 0.00768629 0.00199488
1.70408077 -12.18665036 18.25250703
-0.00053866 -0.00005722 0.00012947
-0.00837437 0.02931392 0.00673580
-3.98162314 -2.29702623 -13.53529086
0.00064107 -0.00074324 0.00007454
-0.00653194 0.02778255 -0.01540938
-3.22658783 -0.51531288 -15.80770326
0.00001136 0.00006977 -0.00040353
0.03578154 -0.00470796 -0.04270322
14.19289034 -8.09468153 -10.58623217
-0.00130717 -0.00031321 0.00067077
-0.00469185 -0.00658645 -0.02718531
16.13898220 -6.35468829 -9.21373970
0.00070729 -0.00008428 -0.00014574
-0.01562646 -0.03453205 0.00420482
7.22327992 -5.77023287 9.34130415
0.00020977 0.00021627 -0.00043943
0.01630954 -0.00517428 -0.02074058
9.36974250 -5.69602262 7.17449302
-0.00009792 -0.00035925 0.00005816
-0.01263653 -0.01220594 0.02072066
-21.08940423 2.07203580 20.82423629
-0.00108042 -0.00086079 0.00092655
-0.00473650 0.00700492 0.01395306
-21.74764313 0.60333249 23.21076578
-0.00011069 -0.00010046 0.00028567
-0.00847843 -0.00416901 0.01029233
26.45178913 -2.93840540 -6.15767950
0.00043347 -0.00029289 -0.00046630
0.00084901 -0.00169886 -0.00668712
25.16066501 -1.51807929 -8.19982326
-0.00006145 -0.00046890 -0.00026414
-0.00173262 0.00999541 -0.00785796
8.97535488 -15.81926997 -7.59283175
0.00025390 0.00021400 -0.00012507
0.02094197 0.01976662 -0.00529644
8.67929039 -12.89427952 -7.14718138
0.00057650 0.00001694 0.00004784
-0.00025069 0.00769710 0.00637123
-5.60046583 -11.03717902 18.01062604
-0.00040367 -0.00013824 0.00031981
-0.01514232 -0.01436791 -0.02201193
-7.32918594 -11.24812709 15.53253108
-0.00031659 -0.00059462 0.00038660
0.01242063 0.00117521 0.00510837
9.11198651 1.79154810 -29.43804762
-0.00159957 -0.00106573 0.00011361
-0.01291353 0.03025610 -0.00380495
6.83755608 3.23264180 -30.56713855
-0.00010704 -0.00003836 0.00065350
-0.02469634 -0.00858689 -0.01197619
12.59558480 14.94190522 14.56488505
-0.00016247 0.00079055 -0.00088926
-0.01174220 0.00500615 0.00161273
11.22514154 16.01266966 17.01647931
-0.00042572 -0.00003529 0.00135441
-0.00624524 -0.00319934 -0.01601773
29.16432683 4.98447957 -4.49219446
0.00091786 -0.00023465 0.00051468
-0.00089020 0.00221818 0.01010511
26.90302387 6.50882942 -3.64875322
0.00034838 -0.00019326 -0.00020457
-0.02293917 0.01045413 0.00035626
-9.95846062 4.89117700 6.87978292
0.00003781 -0.00010169 -0.00021670
-0.00009160 -0.00046162 -0.00605292
-8.67812708 13.26450443 2.59179662
-0.00004484 0.00007487 0.00002105
-0.00224397 -0.00082057 -0.00504740
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09301645
0.31298270
417.03375908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3702797396 (a.u.)
total exchange computation time: 2.5931711197 s
-154.0915761628
-931.40151895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3698173114 (a.u.)
total exchange computation time: 2.5944480896 s
-154.0964434734
Anderson extrapolation: theta=1.3733130086 (1.3733130086)
-931.40174642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3690580531 (a.u.)
total exchange computation time: 2.5948159695 s
-154.1042564607
Anderson extrapolation: theta=0.0605390812 (0.0605390812)
-931.40188816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3689158967 (a.u.)
total exchange computation time: 2.5949840546 s
-154.1056269997
Anderson extrapolation: theta=2.1257320198 (2.0000000000)
-931.40189513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3686069843 (a.u.)
total exchange computation time: 2.5953791142 s
-154.1085150335
Anderson extrapolation: theta=0.3018300812 (0.3018300812)
-931.40190395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3685144403 (a.u.)
total exchange computation time: 2.5951080322 s
-154.1093022337
Anderson extrapolation: theta=1.4522146156 (1.4522146156)
-931.40190622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3684086779 (a.u.)
total exchange computation time: 2.5941071510 s
-154.1101206011
Anderson extrapolation: theta=0.3931613482 (0.3931613482)
-931.40190872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3683965910 (a.u.)
total exchange computation time: 2.5953719616 s
-154.1101296972
Anderson extrapolation: theta=1.0671076777 (1.0671076777)
-931.40190956
-115.572068 22.805413 143.067127
559.321361 1031.556517 -412.674150
443.749292 1054.361929 -269.607023
1175.278886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3684057607 (a.u.)
total exchange computation time: 2.5947320461 s
678.87276767
-1083.54128614
89.81901181
-389.32723482
-174.85676292
78.15949447
551.60419304
0.00000000
-931.40191017
3.92246792 -30.73935030 -2.27301864
0.00004574 0.00000773 -0.00002886
-0.00883394 -0.00858766 -0.00713647
-11.68518808 -2.02477764 -9.17704093
0.00036169 0.00039694 -0.00003846
-0.01452618 -0.01882321 -0.00876867
-37.45918577 2.46993846 -0.01094022
-0.00012519 0.00007259 0.00022012
-0.01107446 0.01207824 -0.00313101
-11.60391988 -4.01412124 3.82966393
-0.00020246 -0.00021591 -0.00002992
0.02044050 -0.02255850 0.00320824
4.48413877 -3.88581454 9.39890836
-0.00043422 -0.00015059 -0.00022109
0.00940857 0.00664304 0.00071901
-31.89406750 -0.77048799 -0.58508011
-0.00008040 0.00052872 0.00016086
-0.01784379 -0.02694453 -0.00946700
14.81596290 12.61021060 -14.00861328
-0.00052717 0.00008098 0.00014284
0.03331273 -0.02799509 0.09834651
-7.69984714 5.95361428 2.52098443
0.00002103 0.00018632 0.00003302
-0.00529175 -0.02889257 -0.04454708
7.54608101 12.60271496 -5.67589189
0.00030159 0.00010561 -0.00026592
-0.01294194 -0.02034088 0.01879061
8.88651140 9.84241463 -19.02546927
-0.00002504 0.00008409 0.00008526
0.01291589 0.00107152 -0.01129380
23.34452921 17.32288864 -2.12755012
0.00014209 -0.00005316 -0.00005317
-0.01509693 0.03849857 -0.00251060
2.27576432 16.91175691 -19.38276766
0.00000036 -0.00004454 -0.00050276
0.00472948 -0.02491766 0.04777786
14.04282030 -1.34209222 -5.42559981
-0.00019619 0.00029122 -0.00034844
0.00405108 0.00007870 0.00481262
-16.09866262 -1.65452190 3.20335742
0.00014055 0.00063928 -0.00013916
-0.00191193 -0.01923053 0.01562939
-16.93128417 -1.80925609 19.27518792
0.00014315 -0.00015777 -0.00046064
0.01852931 -0.00331253 -0.00822341
0.33884672 2.06981066 -5.04987779
0.00024853 -0.00007386 0.00022619
-0.00787449 0.01004390 -0.00287646
22.48043164 -7.18335049 -8.93560768
0.00043035 0.00001041 0.00013224
-0.00135267 -0.00896837 -0.00274132
-0.54803801 -6.43623366 7.24617223
-0.00024794 0.00000410 -0.00002110
0.00113231 0.01287179 0.00455390
-1.81457626 -1.41176049 -19.29773903
0.00019999 0.00002839 -0.00002780
-0.02407490 -0.01964210 -0.02087950
3.30012316 2.16267013 -9.29353130
-0.00018029 -0.00025915 0.00006324
0.01951731 -0.01065873 0.00892785
-3.77652822 17.95926500 12.21377201
-0.00021713 -0.00011689 0.00027158
0.02545107 0.00509020 0.02138295
-3.80666576 4.98760402 -11.19894751
-0.00017248 -0.00004346 0.00040242
0.01482321 -0.01190129 0.06291867
-8.07886755 3.14229030 -8.99249832
0.00038580 -0.00024964 -0.00007453
-0.01217735 -0.01302053 0.01983990
2.08805353 27.35279902 8.51931184
0.00033797 0.00010954 0.00024759
-0.01058583 0.01497865 -0.02318645
9.94871693 -6.19307667 -1.94548840
-0.00026734 0.00001288 0.00017512
-0.00476932 0.01812680 -0.01390602
-8.78626996 0.69176029 5.93808681
0.00011827 0.00030625 0.00011208
0.00301833 0.00378647 -0.00957415
20.39059524 10.74048295 8.86177127
-0.00014764 0.00018714 0.00011436
0.00107934 -0.04037185 0.00925513
-2.55556023 -2.13804931 -27.18933178
0.00047956 0.00006912 -0.00009456
-0.01881764 -0.02204697 0.01559026
-14.30061677 6.08482966 7.55451469
-0.00003468 0.00009980 0.00025236
-0.00971979 0.02023419 -0.00428832
-9.75206599 7.23753310 -2.61206512
0.00040934 0.00009381 0.00025741
-0.00557361 0.00108830 -0.01142055
-1.75053353 -15.72460702 23.85086013
-0.00018775 0.00034866 -0.00045417
0.05571948 0.02280189 -0.01183825
-2.61318297 6.32564655 -6.36935246
-0.00012826 -0.00005117 0.00015973
-0.00892332 0.01655951 0.00161794
-20.17625950 31.09551807 4.46484518
0.00050457 -0.00005548 -0.00031531
0.00159196 -0.02930933 -0.03442831
7.58461693 0.02655300 8.01640903
0.00006080 0.00005010 -0.00017542
0.00712687 0.02454642 0.02394198
5.57420416 11.36560328 -13.84918637
0.00035085 0.00026874 0.00039105
0.00481321 0.00323866 0.01369656
15.69790146 3.02223950 -1.96524120
-0.00035079 -0.00029789 0.00002176
-0.00257729 0.00306028 0.00086539
-4.21071430 13.58967614 -1.05137803
-0.00029824 -0.00012318 0.00027196
-0.00497572 -0.01156961 -0.00246516
4.57520667 12.57449989 3.25143001
0.00010808 -0.00033628 -0.00019156
-0.04345457 -0.02682973 -0.00749766
24.85523362 -11.73939878 -9.58717332
0.00015976 0.00013697 -0.00023470
0.03286119 -0.00408544 -0.02267605
16.42513542 -3.85593573 -0.41136233
0.00014115 0.00025812 -0.00011964
0.03735793 -0.02916699 -0.00921737
12.94360636 7.91350322 9.95988187
0.00003948 0.00013179 0.00023219
0.02298724 0.00248660 -0.04191011
1.62436261 -13.85705238 17.67585175
-0.00017804 -0.00031319 -0.00007039
0.01792809 -0.03307781 -0.00782178
-4.34712965 -0.68640898 -14.48085311
0.00019818 -0.00008254 0.00040503
-0.01722345 -0.02495670 0.05600682
15.07134140 -8.02676434 -9.02068613
0.00025519 0.00057528 0.00013041
0.02019017 0.03976232 0.01605447
8.70382124 -6.72730980 8.61953893
-0.00044495 -0.00047673 0.00034267
-0.00207786 0.01729691 -0.00566064
-21.32693487 2.29406514 22.67339699
0.00016202 0.00015123 0.00009325
0.01176041 -0.00287946 -0.02005522
25.80207652 -3.19421150 -7.88236505
-0.00017907 -0.00011887 -0.00027258
0.00276005 -0.00347412 0.01731218
9.83271027 -14.13441743 -7.79347872
-0.00005261 0.00002861 -0.00036242
-0.00570926 -0.01813420 -0.00666933
-6.43719976 -12.25573148 16.80290987
-0.00045298 -0.00037862 0.00022235
0.01410693 0.02057253 0.01935544
8.20534243 3.46470232 -29.42924101
-0.00013177 -0.00000668 0.00019291
0.02698473 -0.03746538 0.01366195
10.86001245 15.51395980 15.23757257
-0.00013787 -0.00039509 0.00019721
0.03052561 0.00961828 0.01450608
28.55120387 6.03805181 -3.08743439
0.00010796 -0.00001070 -0.00034398
0.01973163 0.00074747 -0.01272700
5.35759385 -31.18865264 -3.29525218
0.00024030 0.00027367 0.00037318
0.01011677 -0.00806380 -0.00439289
3.90108199 -31.68822734 -0.73700251
0.00003028 -0.00016810 0.00003789
0.01034477 -0.00306518 0.01350937
-11.66199588 -3.83808753 -8.62166974
-0.00001900 0.00000717 -0.00039383
0.00022413 0.01852309 -0.00063273
-12.69901330 -2.07282054 -10.72838657
-0.00031949 0.00042505 -0.00019112
0.01102220 0.00702852 0.01064431
-38.99921895 2.12206396 0.96994205
0.00025690 -0.00004023 -0.00049026
0.01442874 0.00167155 -0.00758274
-37.76508387 4.14225654 -0.95251598
-0.00007485 -0.00035756 0.00022514
0.00036074 -0.02841688 0.01377579
-10.78447875 -5.77125273 3.59333328
0.00010255 0.00024685 0.00035910
-0.00651988 0.03770886 -0.00054489
-10.30539133 -2.69933254 3.62158497
-0.00046920 0.00049528 -0.00000256
-0.00533207 -0.01735507 0.00102186
5.32901685 -2.46458387 8.52143836
-0.00007301 0.00021081 -0.00123040
-0.00772842 -0.00795541 0.01441445
4.72556033 -3.56494854 11.22000323
0.00060616 -0.00022059 -0.00010554
-0.00694266 0.00126071 -0.01003095
-33.35762124 -1.86456932 -0.79374987
-0.00013753 0.00051287 0.00011245
0.00451366 -0.00445268 0.00160746
-32.63772652 0.50734219 0.39953238
-0.00053357 0.00024740 0.00148896
-0.00769551 0.02962415 0.01501404
14.68529956 12.80204826 -15.70991569
-0.00029640 -0.00051427 0.00068199
0.00289218 0.00644823 -0.07135883
16.51377239 11.88600638 -13.44993155
-0.00022067 -0.00033656 0.00054285
-0.03451236 0.01837326 -0.02311418
-8.62311342 7.03312736 1.30734807
-0.00028179 -0.00019662 0.00055512
0.00834846 -0.00384119 0.01509320
-7.38975995 4.49277986 1.23107097
-0.00051823 0.00052404 0.00064980
0.00023842 0.03157308 0.03028085
6.13558493 12.34240470 -6.75547954
-0.00013662 -0.00028017 -0.00043387
-0.01097641 0.00172132 -0.01302031
8.85816542 13.59848204 -6.54826062
-0.00057502 -0.00027998 -0.00048731
0.00796280 0.01076392 -0.00714386
8.59553056 8.88244967 -20.58847349
-0.00085720 -0.00045504 0.00026985
0.01001367 0.01188219 0.01279674
10.51872744 10.82457226 -19.19373924
-0.00107695 0.00137586 -0.00039508
-0.02073482 -0.01677544 -0.00333406
23.99851752 15.74633942 -2.65203588
-0.00069022 -0.00063823 0.00014846
0.00627799 -0.03094813 -0.00663140
24.87785323 18.33686990 -2.42827305
0.00082027 -0.00085391 -0.00006181
-0.01344778 0.01005674 0.00947826
1.55188728 16.89256336 -20.99947621
-0.00047980 -0.00115804 0.00030954
-0.01238503 0.01086437 -0.04190893
2.72920614 15.08141967 -19.12492651
-0.00020523 0.00039892 -0.00007565
0.01282561 0.02088080 0.00039694
12.92091244 -0.93293020 -6.81684897
0.00024070 0.00151950 0.00017487
-0.00458949 -0.00979904 0.00083138
13.13929414 -1.29150777 -3.81438822
0.00088213 -0.00046898 0.00060152
0.00129683 0.00676450 -0.01347908
-17.39518821 -3.01479175 3.35569845
0.00014546 -0.00071055 -0.00063390
0.01059415 0.01440041 -0.00640183
-14.48584152 -2.56315159 3.48636579
-0.00073640 -0.00035801 0.00072803
-0.01175417 0.00335090 -0.00815436
-16.08493998 -0.24953444 19.85884370
0.00049819 -0.00031297 0.00049989
-0.01211299 0.00193875 0.00678120
-15.57850269 -3.03391129 19.39219047
0.00087550 -0.00073959 -0.00000560
-0.00114976 -0.00125389 0.00466249
-0.84331529 0.63876161 -5.22526489
-0.00075376 0.00009659 -0.00014117
0.00155878 -0.00142144 0.00674262
-0.78355126 3.53498888 -4.90301116
0.00011891 -0.00077451 -0.00044025
0.00286206 -0.00577330 0.00021089
23.29915830 -8.86400344 -9.33003360
-0.00025580 0.00000095 0.00007991
-0.00466391 0.03353683 0.01271085
23.61774709 -5.76665745 -8.51824178
-0.00018532 0.00015891 -0.00057850
0.00470784 -0.01931300 -0.00338633
0.48840565 -5.85387225 5.85236588
-0.00032420 0.00024124 0.00041301
0.00156307 -0.00495606 -0.00796011
-0.18142277 -5.11606556 8.47439572
0.00087864 -0.00007759 -0.00019898
-0.00140772 -0.01323393 0.00334807
-1.07315502 -2.98529493 -18.78241364
-0.00022056 0.00091460 -0.00051168
0.01317355 -0.00288718 0.00777147
-3.09056379 -2.14895325 -20.49563455
0.00044289 0.00011962 -0.00033780
0.00699157 0.02021943 0.01267074
2.75094691 2.27807155 -10.98615005
-0.00054584 -0.00044659 -0.00052656
-0.00372664 0.00731913 -0.02406959
1.92717761 2.68558301 -8.23903381
0.00066444 0.00057918 0.00015023
-0.01005604 0.00052062 0.01746651
-2.34294612 16.71575278 12.65662758
0.00020603 -0.00083792 -0.00042086
-0.01800858 0.01610609 -0.00887080
-3.46299047 19.41163931 13.40655086
-0.00009543 -0.00019157 -0.00045789
-0.00720352 -0.02931977 -0.01311433
-4.44678661 6.22415444 -12.20285056
-0.00035321 -0.00048576 0.00046211
-0.02707137 0.04982574 -0.03902592
-3.09390563 3.74931955 -12.18739364
-0.00099923 0.00102940 -0.00067354
0.01514684 -0.03997121 -0.03175102
-7.81339343 2.20032805 -7.42497441
-0.00044110 -0.00047871 0.00035437
-0.00062504 0.00628030 -0.01050121
-6.41488712 3.66368337 -9.44761887
-0.00081132 -0.00066702 0.00031606
0.00890964 0.00517113 -0.00669988
2.10945331 28.33274768 6.89810692
0.00064524 0.00038904 -0.00007947
0.00580730 -0.01546554 0.02002906
0.40057272 27.72657221 9.10142995
0.00097243 0.00059700 -0.00006922
0.00225668 0.00013127 0.00299794
10.75309021 -7.12163544 -0.63721623
-0.00050690 -0.00103067 -0.00061606
0.01209334 -0.01058037 0.01886178
8.76294181 -7.35164561 -2.67977552
-0.00002114 0.00030493 -0.00046695
-0.00584482 -0.00610846 -0.00154748
-7.03081319 0.27152461 6.29796587
-0.00022320 0.00047797 -0.00013021
0.01412584 0.00731221 -0.00092071
-9.41367062 -0.73009479 6.82041730
0.00028241 -0.00075543 0.00022456
-0.02539781 -0.01124718 0.01281133
21.72440637 10.12825631 9.99978753
0.00040969 -0.00074468 -0.00043242
-0.00985641 0.00973993 -0.00388376
20.88282121 12.37239721 8.34708846
0.00038231 -0.00019337 -0.00075301
0.00957046 0.03539079 -0.00560280
-1.51980290 -3.50455994 -26.30696379
0.00016076 -0.00102761 -0.00043321
-0.02129379 0.02691712 -0.01038679
-4.39845520 -2.21150354 -26.62823556
0.00063853 0.00015410 -0.00056271
0.04378627 -0.00156382 -0.00804843
-14.29519739 7.24940928 8.97209839
0.00035115 0.00025809 0.00015801
0.00382084 -0.00858597 0.00312469
-15.06009988 7.27405471 6.34007472
-0.00095564 0.00003763 0.00085275
0.00893865 -0.01490179 0.00080340
-11.23147553 6.79980839 -3.63013046
-0.00003735 0.00093130 0.00013506
0.01199600 0.01040614 0.00684801
-8.68897104 8.34938007 -3.70272403
-0.00008147 0.00031794 -0.00055958
-0.00940587 -0.01190350 0.00679861
-1.17474273 -17.41677927 23.46817589
-0.00062468 0.00012585 0.00006927
0.00179624 -0.01159654 -0.00336398
-3.39079764 -15.70876922 24.40683643
0.00108885 -0.00050880 -0.00081430
-0.05394928 -0.00388719 0.01442291
-2.86212576 5.69297276 -8.07659805
0.00099284 0.00082307 0.00026384
0.00079537 0.00419285 0.00036404
-3.77716306 7.79720485 -6.23074525
0.00008122 -0.00081457 -0.00036276
0.00235045 -0.01705241 0.00115966
-21.16959617 30.57710700 2.93059546
-0.00025193 -0.00000075 -0.00076250
-0.00215125 -0.00697666 0.02082814
-21.28359601 32.12175876 5.40874601
-0.00023346 -0.00075138 0.00060359
-0.02307093 0.01182001 0.01710356
7.04434950 -0.09626363 6.31406775
0.00014276 0.00094405 -0.00038357
-0.00889144 -0.01077277 -0.03517836
7.40919361 1.85018338 8.27116163
0.00040661 0.00010668 -0.00153165
0.00076236 -0.00797764 0.00523465
6.76560908 12.79870254 -13.72499061
0.00060000 -0.00012401 -0.00100730
0.00585304 -0.00433245 -0.00078902
4.36680786 12.05722754 -15.01502469
-0.00135986 0.00001078 -0.00065459
-0.00314522 -0.00039161 -0.00473357
14.48122763 3.88327410 -3.05115756
0.00004698 -0.00042541 -0.00048195
0.00596591 0.00213054 0.00937653
15.16398310 1.27995998 -1.94322440
-0.00032956 -0.00118730 0.00027655
0.00308049 0.00181485 -0.00123152
-2.46814024 13.49156056 -0.50259151
-0.00017583 -0.00026394 0.00033124
-0.01005407 -0.00493545 0.00376058
-5.41169868 12.92304072 0.25087231
0.00027647 -0.00044286 0.00070256
0.01607060 0.00825593 -0.00572781
3.73802119 10.75083818 3.51639513
-0.00009185 -0.00100752 -0.00010775
0.01683992 0.04028492 -0.00038722
6.31518680 12.28048479 3.53641697
-0.00020857 -0.00030339 -0.00058951
0.02741749 -0.00525900 -0.00089974
25.30419221 -13.23060252 -8.62139491
-0.00013462 0.00078137 0.00061865
-0.00923162 0.00449696 0.00353453
26.25273179 -11.57482775 -10.90691849
0.00109294 0.00032000 -0.00054062
-0.02415297 0.00033061 0.00986999
14.74452150 -4.10650745 -0.95182916
-0.00016979 -0.00015871 0.00001269
-0.01850458 0.00491280 0.00112131
17.19191231 -5.56868630 -0.87703138
0.00001741 -0.00022992 -0.00010226
-0.00953213 0.02715292 0.01189217
12.09944149 7.99040430 11.51355214
0.00060068 -0.00042867 0.00110225
-0.01904766 0.00453149 0.03302321
13.04317120 9.60267873 9.19637816
0.00094992 0.00028464 0.00001065
0.00100379 -0.00402993 0.00958054
-0.04173600 -14.41627729 17.09274985
-0.00005615 0.00041834 0.00038998
0.00011652 0.00609417 0.00098818
1.69574419 -12.18661044 18.25465550
-0.00057210 0.00005627 0.00015510
-0.00799511 0.02624382 0.00580799
-3.97220720 -2.30732354 -13.53464494
0.00061316 -0.00062548 0.00000964
-0.00713106 0.02986240 -0.01635880
-3.22532093 -0.51441065 -15.81506483
0.00014924 0.00004925 -0.00056867
0.03170950 -0.00533628 -0.03813276
14.17313905 -8.09958152 -10.57700372
-0.00132136 -0.00033822 0.00056539
-0.00225304 -0.00565549 -0.02439611
16.14911277 -6.35701071 -9.21579702
0.00064341 -0.00022200 -0.00013013
-0.01564611 -0.03288253 0.00343930
7.22692622 -5.76714743 9.33407711
0.00027139 0.00019606 -0.00052065
0.01385552 -0.00471759 -0.01901406
9.36788645 -5.70178535 7.17600041
-0.00015013 -0.00041205 0.00014578
-0.01292184 -0.01364374 0.02216970
-21.10575567 2.05933854 20.83856208
-0.00109722 -0.00083127 0.00097107
-0.00348781 0.00744728 0.00784179
-21.74956323 0.60169779 23.21536628
-0.00014403 -0.00011198 0.00032784
-0.00784408 -0.00146872 0.01034754
26.45831720 -2.94285077 -6.16487887
0.00043628 -0.00029941 -0.00049389
0.00052380 -0.00149287 -0.00682168
25.15969017 -1.52480653 -8.20402609
-0.00007048 -0.00042295 -0.00029669
-0.00268962 0.01249876 -0.00807596
8.97980508 -15.81545422 -7.59487013
0.00033738 0.00029199 -0.00014633
0.01992381 0.01840649 -0.00510935
8.68793017 -12.89378962 -7.14626851
0.00057269 0.00005093 0.00007524
-0.00161131 0.00894065 0.00704131
-5.60698492 -11.03969291 18.01474867
-0.00046650 -0.00019863 0.00022850
-0.01561285 -0.01519171 -0.02268271
-7.33355413 -11.25701031 15.53848668
-0.00026820 -0.00058713 0.00040438
0.01126253 0.00249128 0.00359381
9.08759729 1.77648930 -29.43646008
-0.00165097 -0.00093973 0.00009915
-0.01224638 0.03142098 -0.00327129
6.83519375 3.23180321 -30.55770300
-0.00021234 -0.00007222 0.00060155
-0.02684835 -0.00798632 -0.01345563
12.59278793 14.95391691 14.55159559
-0.00021003 0.00081089 -0.00087882
-0.01154101 0.00494788 0.00349954
11.21856435 16.01204233 17.03630465
-0.00045190 -0.00005253 0.00127565
-0.00656917 -0.00524001 -0.02253480
29.17806742 4.98102784 -4.48416464
0.00091360 -0.00022690 0.00055243
-0.00119293 0.00157294 0.00837607
26.90754662 6.50625090 -3.65181092
0.00025146 -0.00015050 -0.00020556
-0.02450179 0.01047396 -0.00083814
-9.95789369 4.88965039 6.87651614
0.00003777 -0.00010177 -0.00021882
-0.00016325 -0.00000487 -0.00579154
-8.67880363 13.26562604 2.59210360
-0.00004538 0.00007472 0.00001990
-0.00242473 -0.00050196 -0.00489257
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09390054
0.30800963
410.40739247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3675258738 (a.u.)
total exchange computation time: 2.5966460705 s
-154.0801540235
-931.39749869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3671358426 (a.u.)
total exchange computation time: 2.5934441090 s
-154.0846769939
Anderson extrapolation: theta=1.3768708289 (1.3768708289)
-931.39773637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3665234565 (a.u.)
total exchange computation time: 2.5967900753 s
-154.0918359712
Anderson extrapolation: theta=0.0615769678 (0.0615769678)
-931.39788439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3664288322 (a.u.)
total exchange computation time: 2.5971078873 s
-154.0930323904
Anderson extrapolation: theta=2.1188690308 (2.0000000000)
-931.39789154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3662330410 (a.u.)
total exchange computation time: 2.5935189724 s
-154.0955383049
Anderson extrapolation: theta=0.2942104926 (0.2942104926)
-931.39790028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3661867795 (a.u.)
total exchange computation time: 2.5922539234 s
-154.0961905268
Anderson extrapolation: theta=1.4321085918 (1.4321085918)
-931.39790235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3661499333 (a.u.)
total exchange computation time: 2.5956990719 s
-154.0968365118
Anderson extrapolation: theta=0.3752122742 (0.3752122742)
-931.39790448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3661636786 (a.u.)
total exchange computation time: 2.5925149918 s
-154.0968063041
Anderson extrapolation: theta=1.0630722355 (1.0630722355)
-931.39790514
-115.585451 22.762223 143.079003
559.308484 1031.520930 -412.673589
443.723032 1054.283153 -269.594585
1175.195446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1314223905
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3661968571 (a.u.)
total exchange computation time: 2.5939459801 s
678.83380383
-1083.47459785
89.83122171
-389.37127462
-174.85086182
78.12552399
551.60419304
0.00000000
-931.39790560
3.92311992 -30.73926746 -2.27347914
0.00004108 0.00000310 -0.00003210
-0.00926902 -0.00942621 -0.00544806
-11.67981879 -2.01889612 -9.17765167
0.00035366 0.00038685 -0.00004366
-0.01669187 -0.02043899 -0.01146094
-37.46110636 2.47107384 -0.00765053
-0.00012980 0.00007864 0.00021805
-0.00684321 0.01147481 -0.00490842
-11.60687794 -4.01744692 3.82922751
-0.00019191 -0.00022658 -0.00002817
0.02060430 -0.01891970 0.00358253
4.47766180 -3.88804771 9.39559472
-0.00042868 -0.00014609 -0.00022121
0.01213188 0.01085181 -0.00117817
-31.89534231 -0.76266120 -0.58270369
-0.00009043 0.00051606 0.00015704
-0.02115847 -0.02227456 -0.00538917
14.80818386 12.61131725 -14.00609130
-0.00050944 0.00006622 0.00019486
0.03561520 -0.02937561 0.10393954
-7.69955207 5.95629771 2.52130786
0.00001842 0.00017164 0.00001118
-0.00485810 -0.02822713 -0.04037462
7.55055500 12.60422064 -5.67980824
0.00029316 0.00009435 -0.00025647
-0.01983857 -0.02345966 0.01797895
8.88618564 9.84368010 -19.02423388
-0.00001894 0.00008433 0.00007930
0.01078625 -0.00013352 -0.01190674
23.34660228 17.32223981 -2.12835736
0.00013459 -0.00003383 -0.00005466
-0.01405125 0.03663962 -0.00329090
2.27578802 16.91099272 -19.39012472
0.00000314 -0.00005683 -0.00047737
0.00604891 -0.02286443 0.05094564
14.03989307 -1.33772361 -5.43080788
-0.00019354 0.00029100 -0.00034495
0.00625387 -0.00092340 0.00878171
-16.09656179 -1.64500692 3.20133037
0.00013844 0.00062803 -0.00013102
-0.00627086 -0.02450135 0.01602788
-16.92906547 -1.81163546 19.26824656
0.00015434 -0.00016025 -0.00046445
0.02497308 -0.00633511 -0.00658082
0.34254431 2.06874155 -5.04649598
0.00024416 -0.00007007 0.00022456
-0.00914351 0.00466731 -0.00346779
22.48688167 -7.18322889 -8.93363471
0.00042865 0.00000570 0.00013071
-0.00526088 -0.00934295 -0.00317562
-0.55175273 -6.43612252 7.24587324
-0.00024745 0.00001077 -0.00001838
0.00077863 0.01305215 0.00603932
-1.81166923 -1.41141034 -19.29823661
0.00018673 0.00002018 -0.00003919
-0.02751150 -0.01229420 -0.02340237
3.29749404 2.15874169 -9.29254820
-0.00017017 -0.00026475 0.00006595
0.01986994 -0.01109208 0.00158273
-3.77968702 17.95753122 12.21792825
-0.00020370 -0.00011538 0.00028199
0.02677627 0.00078490 0.01906498
-3.80919581 4.98690627 -11.19266858
-0.00016499 -0.00004911 0.00043519
0.01432851 -0.01008805 0.06452000
-8.07312753 3.13849545 -8.99353979
0.00037684 -0.00025746 -0.00006313
-0.02267629 -0.01739129 0.02450933
2.09308225 27.35449984 8.52293626
0.00033364 0.00011737 0.00023470
-0.00624998 0.01547566 -0.02693938
9.94468843 -6.19281357 -1.94291521
-0.00026982 0.00002229 0.00016792
-0.00486694 0.01847305 -0.01411843
-8.78448431 0.69636863 5.93973108
0.00011846 0.00030674 0.00010797
-0.00228549 -0.00187797 -0.00639831
20.38838480 10.74313437 8.86352231
-0.00014666 0.00016636 0.00011931
0.00273720 -0.04043416 0.01000643
-2.54843947 -2.13709757 -27.19069000
0.00047050 0.00005737 -0.00008650
-0.01638928 -0.02363391 0.01575083
-14.30117450 6.08640475 7.55828360
-0.00003969 0.00011018 0.00025027
-0.00976371 0.02013487 -0.00386687
-9.74594733 7.23894442 -2.60824805
0.00040624 0.00009464 0.00025085
-0.00650508 0.00213233 -0.01407148
-1.75313483 -15.71928914 23.84400195
-0.00015603 0.00036013 -0.00046130
0.06764020 0.02179841 -0.01588314
-2.61514127 6.32494294 -6.36695020
-0.00013206 -0.00004320 0.00016122
-0.00586949 0.01441024 0.00414767
-20.16868485 31.09457279 4.45998271
0.00050386 -0.00007014 -0.00033306
-0.00432638 -0.02768884 -0.03458142
7.58555639 0.02739916 8.01387011
0.00006427 0.00006258 -0.00016390
0.00638723 0.02398916 0.02083866
5.57948546 11.36964687 -13.84326779
0.00035071 0.00027099 0.00039589
-0.00534864 0.00551699 0.00512453
15.69262971 3.01778288 -1.96491146
-0.00035235 -0.00029788 0.00002230
-0.00350112 -0.00298497 0.00122050
-4.21520705 13.58778379 -1.04730817
-0.00030047 -0.00012922 0.00027094
-0.00369078 -0.01190073 -0.00147893
4.57666018 12.56935214 3.24852764
0.00008492 -0.00035018 -0.00019546
-0.04660513 -0.02720521 -0.00765848
24.85775678 -11.73735997 -9.59078132
0.00017718 0.00013529 -0.00024711
0.03489337 -0.00246351 -0.02556192
16.42739672 -3.85217651 -0.41319247
0.00015971 0.00024265 -0.00012473
0.03484797 -0.03098538 -0.01059100
12.94428728 7.91548966 9.96320302
0.00005080 0.00013323 0.00021143
0.02103318 0.00312222 -0.03880087
1.62176112 -13.86187775 17.67476577
-0.00016818 -0.00032867 -0.00007378
0.02043251 -0.02714994 -0.00537679
-4.34422346 -0.68774331 -14.47456165
0.00019076 -0.00009547 0.00043234
-0.01159597 -0.02534390 0.05019541
15.07524712 -8.01798171 -9.01866799
0.00026469 0.00059488 0.00013785
0.01674967 0.03643307 0.01287739
8.69713892 -6.73439400 8.62465713
-0.00044522 -0.00046774 0.00033899
0.00105368 0.01763855 -0.00863827
-21.32445918 2.29632243 22.67471835
0.00016758 0.00014898 0.00008466
0.00983913 -0.00587372 -0.01335183
25.79940108 -3.19600789 -7.88638699
-0.00017737 -0.00012124 -0.00026366
0.00385787 -0.00574545 0.01737042
9.83189911 -14.13405825 -7.79894079
-0.00005493 0.00001950 -0.00036605
-0.00333112 -0.01727800 -0.00744734
-6.44394008 -12.26133147 16.80631985
-0.00044540 -0.00036823 0.00023269
0.01539346 0.01984862 0.02084981
8.20346998 3.46445758 -29.42629461
-0.00011776 -0.00002627 0.00019996
0.02749664 -0.03871298 0.01375600
10.85806210 15.50807056 15.24058674
-0.00012207 -0.00038948 0.00020567
0.03093940 0.01219531 0.01839306
28.55289935 6.03789415 -3.09264315
0.00011834 -0.00001011 -0.00034974
0.02065604 0.00156998 -0.00969868
5.36150837 -31.18479462 -3.28978904
0.00028251 0.00024035 0.00035390
0.01054662 -0.00824790 -0.00504583
3.90185313 -31.69084273 -0.73602027
0.00007256 -0.00017904 0.00009095
0.01035183 -0.00229275 0.01246702
-11.66227402 -3.83741240 -8.62759665
-0.00001759 0.00008552 -0.00039606
0.00046819 0.01982931 -0.00045739
-12.70346782 -2.06622940 -10.73092724
-0.00027077 0.00045431 -0.00014231
0.01282390 0.00729347 0.01324987
-38.99492331 2.12151168 0.96235582
0.00030751 -0.00003525 -0.00051575
0.01034371 0.00076886 -0.00489480
-37.76619562 4.13602235 -0.94871671
-0.00007375 -0.00047009 0.00027955
0.00018123 -0.02666661 0.01285513
-10.78314036 -5.76639441 3.59870307
0.00007750 0.00039753 0.00035602
-0.00573813 0.03604607 -0.00096374
-10.31259265 -2.69243509 3.62157783
-0.00049338 0.00042114 0.00000198
-0.00650649 -0.01894103 0.00120449
5.32768493 -2.46166557 8.50342401
-0.00010967 0.00017024 -0.00116515
-0.01021807 -0.01190345 0.01752724
4.73444001 -3.56821870 11.21811279
0.00057702 -0.00021526 -0.00014919
-0.00732422 0.00134431 -0.01133861
-33.35954588 -1.85701277 -0.79201389
-0.00011852 0.00049492 0.00011870
0.00479391 -0.00433057 0.00145087
-32.64596592 0.51196101 0.42232693
-0.00055863 0.00035805 0.00154209
-0.00456960 0.02453991 0.01099313
14.68094217 12.79453181 -15.70187243
-0.00028525 -0.00048740 0.00038002
0.00256697 0.00670420 -0.07645986
16.50940484 11.88152092 -13.44249711
-0.00036547 -0.00025936 0.00044716
-0.03637046 0.01941900 -0.02372753
-8.62708437 7.03006042 1.31613741
-0.00025048 -0.00020810 0.00061288
0.00697678 -0.00178270 0.01318046
-7.39752607 4.50160793 1.24174583
-0.00051553 0.00064749 0.00076888
0.00108056 0.02885730 0.02801142
6.13319923 12.33825488 -6.76238657
-0.00017471 -0.00027206 -0.00048104
-0.00766802 0.00224806 -0.01007137
8.84978414 13.59461224 -6.55578915
-0.00053622 -0.00023179 -0.00052003
0.01103025 0.01282537 -0.00887435
8.58297945 8.87598821 -20.58403360
-0.00081434 -0.00040396 0.00032431
0.01096762 0.01311977 0.01386250
10.50193778 10.84469610 -19.19976766
-0.00115858 0.00130687 -0.00040983
-0.01922234 -0.01699289 -0.00388467
23.98835666 15.73581762 -2.65001224
-0.00066596 -0.00076021 0.00012230
0.00559578 -0.02876404 -0.00617071
24.88974521 18.32436942 -2.42890970
0.00076393 -0.00081354 -0.00002305
-0.01413083 0.00970289 0.00949354
1.54431077 16.87552563 -20.99611740
-0.00053391 -0.00111272 0.00013087
-0.01410437 0.01132266 -0.04554765
2.72652065 15.08804335 -19.12604909
-0.00015128 0.00047928 -0.00007260
0.01358317 0.01845609 0.00109784
12.92438230 -0.91043795 -6.81420052
0.00021708 0.00147996 0.00017545
-0.00697241 -0.00955691 -0.00054673
13.15256576 -1.29833520 -3.80577851
0.00088755 -0.00044043 0.00054141
0.00135627 0.00721320 -0.01594267
-17.39268171 -3.02500871 3.34599371
0.00019317 -0.00064238 -0.00066105
0.01276013 0.01897005 -0.00688579
-14.49724773 -2.56841904 3.49703641
-0.00078036 -0.00034305 0.00069440
-0.00976109 0.00397069 -0.00830773
-16.07783825 -0.25416951 19.86654988
0.00044646 -0.00030825 0.00052573
-0.01321102 0.00037149 0.00586623
-15.56540549 -3.04504355 19.39224931
0.00086005 -0.00073522 0.00001214
-0.00641321 0.00339006 0.00402235
-0.85457389 0.64016694 -5.22717589
-0.00074117 0.00009393 -0.00011308
0.00460322 0.00011806 0.00700730
-0.78167984 3.52319433 -4.90960839
0.00012746 -0.00079041 -0.00043804
0.00132037 -0.00201113 0.00086792
23.29517835 -8.86296149 -9.32844547
-0.00027188 0.00013491 0.00013078
-0.00320624 0.03203628 0.01219281
23.61511150 -5.76486558 -8.52702300
-0.00016153 0.00008382 -0.00059080
0.00693722 -0.01744734 -0.00263482
0.48359061 -5.85040557 5.85831705
-0.00031580 0.00022109 0.00037600
0.00254723 -0.00490818 -0.01015318
-0.16828637 -5.11763499 8.47151365
0.00087190 -0.00013217 -0.00018393
-0.00188921 -0.01347985 0.00401658
-1.07605974 -2.97166436 -18.78985065
-0.00015902 0.00088764 -0.00047431
0.01694837 -0.01031240 0.01052103
-3.08370617 -2.14653932 -20.50031332
0.00047047 0.00020238 -0.00028648
0.00651005 0.02028816 0.01245327
2.74264514 2.27159696 -10.99478605
-0.00055751 -0.00041727 -0.00061210
-0.00198891 0.00703282 -0.01780222
1.93683603 2.69428661 -8.23624517
0.00061923 0.00058257 0.00022363
-0.01207150 0.00113825 0.01846345
-2.34040747 16.70367746 12.65004288
0.00012938 -0.00076767 -0.00045670
-0.01951085 0.01828207 -0.00867630
-3.46464272 19.40786734 13.39928070
-0.00012323 -0.00030715 -0.00050717
-0.00640155 -0.02725947 -0.01100993
-4.45291434 6.21839490 -12.19711477
-0.00046650 -0.00027847 0.00030272
-0.02838278 0.05164439 -0.03899781
-3.10842995 3.76353568 -12.19846963
-0.00093337 0.00085904 -0.00080692
0.01709095 -0.04342202 -0.03354021
-7.82002905 2.19333977 -7.41998068
-0.00044313 -0.00044975 0.00030682
-0.00036775 0.00789693 -0.01277479
-6.42678397 3.65383652 -9.44308325
-0.00075371 -0.00063985 0.00028396
0.01929104 0.00812924 -0.00901325
2.11930980 28.33810937 6.89752862
0.00066904 0.00032303 0.00000612
0.00584574 -0.01684627 0.02186858
0.41522830 27.73553117 9.10048355
0.00097258 0.00059900 -0.00005336
-0.00218162 0.00084808 0.00476467
10.74585730 -7.13741971 -0.64587922
-0.00045599 -0.00107423 -0.00053749
0.01282507 -0.01074103 0.01959998
8.76244554 -7.34725880 -2.68682713
-0.00004637 0.00027950 -0.00047451
-0.00650182 -0.00633930 -0.00215545
-7.03372835 0.27891823 6.29598446
-0.00016024 0.00050672 -0.00013289
0.01669511 0.00676325 -0.00038742
-9.41021270 -0.74177096 6.82417833
0.00018453 -0.00078900 0.00026932
-0.02251582 -0.00518385 0.00909894
21.73024969 10.11738452 9.99318229
0.00036624 -0.00070216 -0.00045074
-0.01141138 0.01107634 -0.00508540
20.88884911 12.37058108 8.33562157
0.00042130 -0.00005118 -0.00077472
0.00951803 0.03421217 -0.00502035
-1.51804401 -3.51914932 -26.31378029
0.00007266 -0.00091361 -0.00047706
-0.02183106 0.02888748 -0.01107405
-4.38753545 -2.20924000 -26.63692282
0.00081338 0.00014745 -0.00059428
0.04180029 -0.00169150 -0.00740847
-14.28981305 7.25301754 8.97456432
0.00036734 0.00022253 0.00017116
0.00410284 -0.00882361 0.00330976
-15.07416064 7.27416251 6.35289056
-0.00091931 -0.00002281 0.00085473
0.00884709 -0.01468191 0.00016889
-11.23166813 6.81409682 -3.62789472
0.00001317 0.00097300 0.00016554
0.01273208 0.01000414 0.00807465
-8.69048137 8.35378444 -3.71090933
-0.00011995 0.00026757 -0.00052840
-0.00942747 -0.01275204 0.00846208
-1.18405791 -17.41524693 23.46911183
-0.00061481 0.00007909 0.00005464
0.00303510 -0.01129059 -0.00379737
-3.37611803 -15.71652033 24.39506396
0.00084225 -0.00052284 -0.00074605
-0.06676629 -0.00298360 0.01898153
-2.84720877 5.70544734 -8.07262937
0.00099519 0.00083625 0.00025807
0.00035622 0.00225489 -0.00318679
-3.77587275 7.78446369 -6.23615108
0.00008518 -0.00087637 -0.00035617
-0.00041073 -0.01319581 0.00206718
-21.17344111 30.57688197 2.91979616
-0.00025662 -0.00002759 -0.00067134
-0.00014254 -0.00616041 0.02379860
-21.28780483 32.11085025 5.41832400
-0.00032076 -0.00070924 0.00066757
-0.01966346 0.00880756 0.01421396
7.04621848 -0.08243303 6.30723626
0.00010754 0.00089729 -0.00052466
-0.00834811 -0.01211468 -0.03388884
7.41531619 1.85153907 8.24834729
0.00040995 0.00007779 -0.00150613
0.00086865 -0.00616421 0.00725819
6.77478842 12.79670970 -13.74012428
0.00062477 -0.00013818 -0.00101014
0.00627368 -0.00260506 -0.00059935
4.34631352 12.05737718 -15.02498866
-0.00135325 0.00000056 -0.00065658
0.00638231 -0.00461115 0.00376068
14.48211514 3.87695828 -3.05809951
0.00007062 -0.00041733 -0.00044373
0.00560856 0.00182472 0.00933373
15.15913406 1.26220616 -1.93911395
-0.00031383 -0.00116630 0.00027092
0.00462107 0.00846330 -0.00152110
-2.47108581 13.48745018 -0.49750766
-0.00021830 -0.00028363 0.00034527
-0.01073311 -0.00470349 0.00310807
-5.40705911 12.91665076 0.26123514
0.00034088 -0.00040870 0.00067828
0.01545747 0.00846707 -0.00615427
3.73715946 10.73695981 3.51476698
-0.00002234 -0.00083987 -0.00010940
0.01718362 0.04178341 -0.00041774
6.31289835 12.27577276 3.52754668
-0.00009126 -0.00032578 -0.00059222
0.03001029 -0.00569840 -0.00042598
25.30189006 -13.21874422 -8.61200690
-0.00017101 0.00079768 0.00063350
-0.00858111 0.00348964 0.00373476
26.26838584 -11.57001768 -10.91472532
0.00098873 0.00032020 -0.00049496
-0.02686010 -0.00022887 0.01247884
14.74140763 -4.10873758 -0.95160448
-0.00023960 -0.00013782 0.00001946
-0.01566961 0.00531319 0.00219205
17.19188130 -5.57130306 -0.87820085
-0.00002228 -0.00011643 -0.00005292
-0.00989269 0.02840135 0.01226141
12.10786794 7.98411304 11.53109783
0.00052795 -0.00040907 0.00122734
-0.01655305 0.00506444 0.02820916
13.05745075 9.60682484 9.19683141
0.00095247 0.00026559 0.00005267
0.00024523 -0.00529450 0.01099108
-0.04257467 -14.40981538 17.09862987
-0.00006118 0.00043988 0.00039189
-0.00257920 0.00444881 -0.00005298
1.68691763 -12.18496214 18.25715991
-0.00060394 0.00015510 0.00017621
-0.00759050 0.02213334 0.00452585
-3.96322831 -2.31579071 -13.53500160
0.00058315 -0.00050087 -0.00005814
-0.00756156 0.03113746 -0.01681865
-3.22211067 -0.51383547 -15.82476342
0.00026788 0.00002576 -0.00071191
0.02636831 -0.00616238 -0.03198098
14.15324967 -8.10482811 -10.56927040
-0.00132440 -0.00035932 0.00047306
0.00076470 -0.00467200 -0.02080116
16.15828444 -6.36134837 -9.21764356
0.00057965 -0.00035227 -0.00011784
-0.01556190 -0.03088347 0.00257487
7.23142166 -5.76435112 9.32568478
0.00032215 0.00017824 -0.00059427
0.01099109 -0.00400562 -0.01702630
9.36523847 -5.70838426 7.17886651
-0.00020290 -0.00046998 0.00023814
-0.01290622 -0.01471048 0.02303904
-21.12232086 2.04709769 20.85336847
-0.00110901 -0.00080032 0.00098965
-0.00228206 0.00770166 0.00125378
-21.75196407 0.59997309 23.22060094
-0.00017464 -0.00011218 0.00037004
-0.00713942 0.00137015 0.01031259
26.46487739 -2.94738762 -6.17249632
0.00043786 -0.00030500 -0.00052168
0.00025122 -0.00124351 -0.00677905
25.15855049 -1.53076777 -8.20872386
-0.00008307 -0.00036756 -0.00032993
-0.00347218 0.01461387 -0.00819604
8.98547632 -15.81051041 -7.59722163
0.00041595 0.00036316 -0.00016660
0.01853446 0.01643340 -0.00481489
8.69647120 -12.89275177 -7.14492411
0.00056382 0.00008943 0.00010515
-0.00273237 0.00990986 0.00759726
-5.61446087 -11.04313784 18.01748117
-0.00053048 -0.00026140 0.00013559
-0.01570623 -0.01553582 -0.02279924
-7.33723207 -11.26574085 15.54466252
-0.00022478 -0.00057415 0.00041566
0.00999557 0.00386242 0.00192618
9.06245754 1.76335617 -29.43507303
-0.00169883 -0.00081041 0.00008691
-0.01118196 0.03188211 -0.00272001
6.83118599 3.23047516 -30.54909210
-0.00032463 -0.00010327 0.00054508
-0.02812091 -0.00721333 -0.01418703
12.58928376 14.96623183 14.53852059
-0.00025648 0.00083088 -0.00086083
-0.01119219 0.00483784 0.00530292
11.21158455 16.01109387 17.05474891
-0.00047894 -0.00007752 0.00117219
-0.00666530 -0.00699369 -0.02810880
29.19173489 4.97767251 -4.47562148
0.00090821 -0.00022201 0.00058278
-0.00144612 0.00082398 0.00647984
26.91056775 6.50431429 -3.65491999
0.00014990 -0.00010820 -0.00021094
-0.02521576 0.01023384 -0.00179587
-9.95732764 4.88812377 6.87321827
0.00003769 -0.00010169 -0.00022084
-0.00024505 0.00045429 -0.00550273
-8.67948863 13.26674589 2.59239356
-0.00004597 0.00007462 0.00001878
-0.00260353 -0.00030680 -0.00475996
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09386412
0.30404149
405.12004097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3662158452 (a.u.)
total exchange computation time: 2.6217808723 s
-154.0669235536
-931.39540670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3657701438 (a.u.)
total exchange computation time: 2.6225049496 s
-154.0716713613
Anderson extrapolation: theta=1.3560957922 (1.3560957922)
-931.39564730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3650486441 (a.u.)
total exchange computation time: 2.6243770123 s
-154.0792493430
Anderson extrapolation: theta=0.0565154250 (0.0565154250)
-931.39579489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3649154444 (a.u.)
total exchange computation time: 2.6247138977 s
-154.0806074915
Anderson extrapolation: theta=2.1083785890 (2.0000000000)
-931.39580182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3646228455 (a.u.)
total exchange computation time: 2.6231651306 s
-154.0835233147
Anderson extrapolation: theta=0.3103097262 (0.3103097262)
-931.39581065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3645308596 (a.u.)
total exchange computation time: 2.6257028580 s
-154.0843861711
Anderson extrapolation: theta=1.5806900262 (1.5806900262)
-931.39581304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3644148077 (a.u.)
total exchange computation time: 2.6236701012 s
-154.0854250434
Anderson extrapolation: theta=0.3956414388 (0.3956414388)
-931.39581586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3643998476 (a.u.)
total exchange computation time: 2.6227481365 s
-154.0855106107
Anderson extrapolation: theta=1.0887333630 (1.0887333630)
-931.39581681
-115.605356 22.733459 143.074080
559.292766 1031.489345 -412.674685
443.687410 1054.222804 -269.600605
1175.129237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1323309897
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3644072794 (a.u.)
total exchange computation time: 2.7094049454 s
678.79223529
-1083.40513624
89.84341471
-389.41729905
-174.84462496
78.09106015
551.60419304
0.00000000
-931.39581752
3.92370041 -30.73925734 -2.27398166
0.00003628 -0.00000204 -0.00003445
-0.00939237 -0.01057628 -0.00367779
-11.67457827 -2.01317228 -9.17835083
0.00034459 0.00037602 -0.00005015
-0.01858487 -0.02167256 -0.01375351
-37.46307975 2.47229775 -0.00439871
-0.00013210 0.00008428 0.00021509
-0.00210511 0.01043791 -0.00658845
-11.60967704 -4.02091856 3.82881873
-0.00018134 -0.00023545 -0.00002624
0.02048813 -0.01557261 0.00392487
4.47127842 -3.89019716 9.39227200
-0.00042183 -0.00013958 -0.00022229
0.01448641 0.01445044 -0.00299865
-31.89678035 -0.75500624 -0.58036885
-0.00010220 0.00050592 0.00015547
-0.02462395 -0.01713829 -0.00073444
14.80067959 12.61219727 -14.00276746
-0.00049087 0.00005099 0.00024862
0.03662594 -0.02984425 0.10511917
-7.69929447 5.95876336 2.52131982
0.00001607 0.00015741 -0.00000828
-0.00430744 -0.02707939 -0.03529988
7.55487595 12.60554533 -5.68358588
0.00028123 0.00008152 -0.00024751
-0.02655944 -0.02640737 0.01684070
8.88594309 9.84494454 -19.02309034
-0.00001401 0.00008395 0.00007314
0.00838458 -0.00134206 -0.01203860
23.34856695 17.32187365 -2.12919000
0.00012767 -0.00001575 -0.00005660
-0.01286569 0.03368078 -0.00424650
2.27585838 16.91005214 -19.39708875
0.00000636 -0.00006792 -0.00045083
0.00647220 -0.02026354 0.05225904
14.03701407 -1.33336213 -5.43594819
-0.00018975 0.00029026 -0.00033951
0.00847120 -0.00198412 0.01234922
-16.09450934 -1.63568096 3.19942697
0.00013422 0.00061425 -0.00012270
-0.01016937 -0.02909919 0.01628791
-16.92665410 -1.81406370 19.26125444
0.00016871 -0.00016420 -0.00046740
0.03091428 -0.00900806 -0.00489944
0.34617137 2.06770845 -5.04314093
0.00023919 -0.00006905 0.00022263
-0.01017808 -0.00069892 -0.00405490
22.49329112 -7.18317937 -8.93168625
0.00042488 0.00000091 0.00012901
-0.00941216 -0.00931810 -0.00344798
-0.55546144 -6.43591069 7.24562084
-0.00024713 0.00001749 -0.00001496
0.00045308 0.01309638 0.00726471
-1.80897444 -1.41115503 -19.29891474
0.00017181 0.00001578 -0.00005175
-0.03049399 -0.00483166 -0.02542829
3.29501821 2.15472768 -9.29155289
-0.00016003 -0.00027052 0.00006490
0.01954173 -0.01136682 -0.00567001
-3.78263925 17.95580349 12.22223158
-0.00018969 -0.00011615 0.00029102
0.02769406 -0.00375131 0.01607549
-3.81161533 4.98613069 -11.18589190
-0.00015779 -0.00005371 0.00046789
0.01366191 -0.00778327 0.06264743
-8.06756245 3.13456644 -8.99439218
0.00036249 -0.00026745 -0.00004945
-0.03312085 -0.02143321 0.02869022
2.09806274 27.35632006 8.52635284
0.00033154 0.00012533 0.00022005
-0.00192153 0.01550496 -0.03001974
9.94062238 -6.19240796 -1.94045094
-0.00027228 0.00003170 0.00016077
-0.00469482 0.01811067 -0.01367379
-8.78271630 0.70096247 5.94132598
0.00011598 0.00030425 0.00010551
-0.00732361 -0.00780133 -0.00317398
20.38619547 10.74547385 8.86535054
-0.00014478 0.00014593 0.00012445
0.00456371 -0.03901682 0.00999537
-2.54144514 -2.13632815 -27.19192671
0.00046284 0.00004494 -0.00007850
-0.01341403 -0.02470860 0.01534759
-14.30180756 6.08813518 7.56202268
-0.00004468 0.00012043 0.00024842
-0.00961596 0.01969526 -0.00330930
-9.73987885 7.24037218 -2.60453953
0.00040269 0.00009597 0.00024305
-0.00730898 0.00307041 -0.01626620
-1.75521431 -15.71380310 23.83702123
-0.00011888 0.00037105 -0.00047027
0.07679080 0.02065701 -0.01902861
-2.61714486 6.32435049 -6.36451595
-0.00013423 -0.00003646 0.00016399
-0.00254650 0.01179879 0.00662203
-20.16114359 31.09341391 4.45485346
0.00050002 -0.00008382 -0.00035059
-0.01061051 -0.02551889 -0.03361279
7.58654512 0.02843040 8.01149196
0.00006729 0.00007470 -0.00015429
0.00534079 0.02313996 0.01655365
5.58472550 11.37373303 -13.83730967
0.00034549 0.00027420 0.00039676
-0.01496902 0.00697704 -0.00173753
15.68733095 3.01330324 -1.96457231
-0.00035430 -0.00030086 0.00002305
-0.00409610 -0.00860942 0.00171615
-4.21972827 13.58579964 -1.04324972
-0.00030202 -0.00013539 0.00027036
-0.00236526 -0.01209726 -0.00080444
4.57775414 12.56399452 3.24556620
0.00006052 -0.00036418 -0.00019940
-0.04825707 -0.02722221 -0.00765641
24.86054913 -11.73534017 -9.59458653
0.00019533 0.00013436 -0.00026069
0.03569132 -0.00114423 -0.02725654
16.42992686 -3.84865633 -0.41510433
0.00017678 0.00022639 -0.00013051
0.03151177 -0.03224260 -0.01188174
12.94513045 7.91750019 9.96622484
0.00006098 0.00013494 0.00019261
0.01853361 0.00350702 -0.03439720
1.61931727 -13.86691257 17.67363830
-0.00015702 -0.00034092 -0.00007585
0.02294705 -0.02046714 -0.00267562
-4.34140673 -0.68927316 -14.46788295
0.00018642 -0.00010837 0.00045625
-0.00531255 -0.02481076 0.04278986
15.07928205 -8.00891801 -9.01655050
0.00027222 0.00061263 0.00014354
0.01254595 0.03259757 0.00923759
8.69046473 -6.74134213 8.62970870
-0.00044385 -0.00045873 0.00033388
0.00426597 0.01740274 -0.01123310
-21.32190758 2.29853440 22.67593670
0.00017216 0.00014522 0.00007960
0.00797902 -0.00874457 -0.00630958
25.79675539 -3.19784860 -7.89027493
-0.00017517 -0.00012466 -0.00025479
0.00470786 -0.00757549 0.01713691
9.83106226 -14.13383237 -7.80446032
-0.00005602 0.00001107 -0.00037007
-0.00088831 -0.01551115 -0.00818433
-6.45056165 -12.26677833 16.80989069
-0.00043723 -0.00035833 0.00024369
0.01635251 0.01865084 0.02189178
8.20180965 3.46391419 -29.42324208
-0.00010381 -0.00004637 0.00020686
0.02673868 -0.03944990 0.01307432
10.85635044 15.50227540 15.24374281
-0.00010614 -0.00038262 0.00021593
0.03099334 0.01448695 0.02146667
28.55475419 6.03774860 -3.09792672
0.00012897 -0.00000899 -0.00035400
0.02065570 0.00276940 -0.00684681
5.36606926 -31.18144209 -3.28463513
0.00032584 0.00020651 0.00033232
0.01066018 -0.00831699 -0.00551798
3.90325870 -31.69359863 -0.73427396
0.00011480 -0.00018643 0.00013915
0.01032446 -0.00132340 0.01112511
-11.66252346 -3.83552201 -8.63355160
-0.00001520 0.00016838 -0.00039742
0.00069954 0.02073227 -0.00020960
-12.70713641 -2.05919128 -10.73265588
-0.00021537 0.00048458 -0.00008392
0.01429546 0.00752422 0.01533184
-38.98999376 2.12100652 0.95446960
0.00034053 -0.00003420 -0.00052974
0.00582078 -0.00025770 -0.00195555
-37.76729627 4.12815387 -0.94412959
-0.00007352 -0.00057431 0.00032953
-0.00006904 -0.02434816 0.01161163
-10.78215363 -5.75932697 3.60401379
0.00005610 0.00054005 0.00035110
-0.00473957 0.03372106 -0.00144351
-10.32019272 -2.68669847 3.62164451
-0.00052183 0.00034121 0.00000719
-0.00741828 -0.02018480 0.00134221
5.32572678 -2.45947678 8.48648384
-0.00015577 0.00011479 -0.00108798
-0.01234770 -0.01523560 0.02024640
4.74287082 -3.57140647 11.21552746
0.00054633 -0.00020960 -0.00019760
-0.00769784 0.00142831 -0.01235707
-33.36117672 -1.84972163 -0.79018900
-0.00009867 0.00047742 0.00012432
0.00492128 -0.00423754 0.00130206
-32.65448537 0.51808378 0.44579520
-0.00057038 0.00044693 0.00157771
-0.00118063 0.01896513 0.00643910
14.67674210 12.78742623 -15.69851510
-0.00027498 -0.00046037 0.00006556
0.00245913 0.00652760 -0.07746918
16.50280828 11.87822558 -13.43651684
-0.00051572 -0.00017880 0.00034984
-0.03717588 0.02001481 -0.02390868
-8.63062775 7.02688422 1.32573453
-0.00022526 -0.00021064 0.00066226
0.00536610 0.00054291 0.01099113
-7.40522597 4.51220454 1.25413739
-0.00050914 0.00075817 0.00087737
0.00205018 0.02532387 0.02509342
6.13034358 12.33424282 -6.76991084
-0.00019900 -0.00026173 -0.00051597
-0.00422005 0.00281171 -0.00702322
8.84207887 13.59152846 -6.56386156
-0.00048555 -0.00017562 -0.00055942
0.01377045 0.01466620 -0.01040574
8.57110051 8.87033081 -20.57874413
-0.00076790 -0.00034846 0.00038213
0.01176121 0.01404932 0.01444217
10.48397004 10.86377850 -19.20603415
-0.00123325 0.00123763 -0.00042681
-0.01732986 -0.01690099 -0.00442769
23.97853875 15.72353299 -2.64836677
-0.00064505 -0.00087100 0.00009870
0.00463991 -0.02546819 -0.00538499
24.90077116 18.31246360 -2.42896453
0.00070517 -0.00077459 0.00001560
-0.01463408 0.00936631 0.00942646
1.53586986 16.85918182 -20.99555003
-0.00059337 -0.00106568 -0.00005893
-0.01499814 0.01170250 -0.04736148
2.72466761 15.09579812 -19.12710439
-0.00009421 0.00054884 -0.00006663
0.01435735 0.01559357 0.00182183
12.92742484 -0.88853140 -6.81158557
0.00018399 0.00144149 0.00017063
-0.00922414 -0.00927266 -0.00180957
13.16592050 -1.30472056 -3.79814587
0.00089291 -0.00041002 0.00047183
0.00126785 0.00767006 -0.01812006
-17.38939318 -3.03406306 3.33586697
0.00024850 -0.00055669 -0.00068994
0.01432359 0.02297476 -0.00725780
-14.50925217 -2.57344314 3.50719789
-0.00081582 -0.00032584 0.00066028
-0.00759859 0.00445574 -0.00839774
-16.07154618 -0.25878182 19.87461558
0.00039040 -0.00030985 0.00054776
-0.01423224 -0.00115823 0.00491898
-15.55270132 -3.05596804 19.39255466
0.00082404 -0.00071268 0.00002726
-0.01121000 0.00764461 0.00337962
-0.86555037 0.64157950 -5.22865743
-0.00071630 0.00009726 -0.00008394
0.00756980 0.00151209 0.00725703
-0.77972751 3.51127653 -4.91615242
0.00012939 -0.00079064 -0.00043321
-0.00037397 0.00190046 0.00149683
23.29100190 -8.85995615 -9.32611009
-0.00028145 0.00026120 0.00017913
-0.00148074 0.02978309 0.01147232
23.61290106 -5.76414299 -8.53596571
-0.00012850 0.00001686 -0.00059996
0.00923377 -0.01532829 -0.00184852
0.47893168 -5.84723968 5.86364597
-0.00030360 0.00020110 0.00033038
0.00342662 -0.00487533 -0.01217717
-0.15526575 -5.12003055 8.46887774
0.00086333 -0.00018742 -0.00016594
-0.00230604 -0.01356957 0.00478871
-1.07792577 -2.95866579 -18.79664287
-0.00008232 0.00083067 -0.00042600
0.02059969 -0.01757537 0.01312378
-3.07644958 -2.14288200 -20.50422888
0.00049539 0.00028480 -0.00023673
0.00568604 0.02006169 0.01189737
2.73422147 2.26555338 -11.00451309
-0.00056186 -0.00038906 -0.00067123
-0.00014035 0.00677725 -0.01114029
1.94575464 2.70305996 -8.23232498
0.00056700 0.00058807 0.00030015
-0.01349892 0.00155773 0.01899258
-2.33906457 16.69272257 12.64292645
0.00004735 -0.00068920 -0.00049148
-0.02064414 0.02013256 -0.00834896
-3.46668730 19.40242474 13.39133577
-0.00014746 -0.00041289 -0.00054692
-0.00546179 -0.02450125 -0.00844864
-4.46078154 6.21580046 -12.19376901
-0.00058236 -0.00006898 0.00014758
-0.02833226 0.05090035 -0.03694470
-3.12190683 3.77509064 -12.21160117
-0.00086199 0.00067875 -0.00094457
0.01784991 -0.04482787 -0.03383956
-7.82668720 2.18683548 -7.41576986
-0.00044389 -0.00041471 0.00025086
-0.00000837 0.00925528 -0.01461803
-6.43749854 3.64448789 -9.43910002
-0.00065406 -0.00060072 0.00024250
0.02948934 0.01102273 -0.01128257
2.12952455 28.34243861 6.89829056
0.00069296 0.00025220 0.00009790
0.00586375 -0.01782635 0.02305860
0.42975018 27.74454210 9.09982916
0.00095464 0.00060407 -0.00003031
-0.00659983 0.00163319 0.00651786
10.73941040 -7.15386226 -0.65334100
-0.00040312 -0.00111732 -0.00045755
0.01305811 -0.01035303 0.01953405
8.76155080 -7.34326050 -2.69401084
-0.00007381 0.00025356 -0.00048425
-0.00693355 -0.00636221 -0.00261245
-7.03562033 0.28672635 6.29397930
-0.00008771 0.00053316 -0.00013340
0.01880722 0.00617564 0.00013629
-9.40813470 -0.75376482 6.82849699
0.00009875 -0.00079735 0.00029879
-0.01947433 0.00109885 0.00532591
21.73539365 10.10719155 9.98626539
0.00031715 -0.00065451 -0.00047330
-0.01262102 0.01224726 -0.00596060
20.89546032 12.37086169 8.32384701
0.00045914 0.00008346 -0.00079311
0.00900334 0.03169595 -0.00398510
-1.51762306 -3.53196831 -26.32127547
-0.00001677 -0.00079265 -0.00052306
-0.02194805 0.03032437 -0.01144276
-4.37405392 -2.20708013 -26.64606411
0.00097803 0.00014026 -0.00062270
0.03879903 -0.00182617 -0.00650207
-14.28417727 7.25608504 8.97723310
0.00038462 0.00018617 0.00018517
0.00435936 -0.00897210 0.00354743
-15.08767919 7.27337051 6.36571675
-0.00088371 -0.00008187 0.00085378
0.00857957 -0.01423093 -0.00063626
-11.23108043 6.82899838 -3.62516412
0.00006583 0.00101272 0.00020052
0.01304729 0.00944044 0.00904514
-8.69256948 8.35740729 -3.71857603
-0.00015797 0.00021424 -0.00049086
-0.00918328 -0.01335626 0.00991489
-1.19318708 -17.41440656 23.46981506
-0.00060008 0.00003422 0.00003838
0.00417645 -0.01067168 -0.00416243
-3.36553026 -15.72445430 24.38445479
0.00054911 -0.00053356 -0.00066118
-0.07672602 -0.00226350 0.02256678
-2.83226994 5.71806012 -8.06885599
0.00099597 0.00084163 0.00023788
0.00002431 0.00038156 -0.00669542
-3.77460761 7.77091381 -6.24143022
0.00007715 -0.00092156 -0.00034582
-0.00352180 -0.00892832 0.00299729
-21.17729479 30.57627939 2.91045539
-0.00025361 -0.00005138 -0.00056911
0.00161516 -0.00548879 0.02624266
-21.29321875 32.10048152 5.42877312
-0.00039291 -0.00068033 0.00071865
-0.01565792 0.00534580 0.01078794
7.04757583 -0.06934490 6.29832785
0.00007523 0.00084527 -0.00065791
-0.00747125 -0.01334907 -0.03133529
7.42149200 1.85251698 8.22597779
0.00041367 0.00005663 -0.00147250
0.00095332 -0.00419210 0.00920172
6.78435225 12.79455720 -13.75529468
0.00065121 -0.00014536 -0.00101209
0.00666644 -0.00090919 -0.00035875
4.32621034 12.05724423 -15.03472216
-0.00130975 -0.00002554 -0.00062551
0.01491293 -0.00816173 0.01144906
14.48334636 3.87075429 -3.06446944
0.00009253 -0.00041032 -0.00040598
0.00511640 0.00160297 0.00914503
15.15456822 1.24497102 -1.93509672
-0.00029218 -0.00111922 0.00026407
0.00597586 0.01458002 -0.00183119
-2.47468917 13.48305154 -0.49223333
-0.00026298 -0.00030237 0.00035673
-0.01113705 -0.00446809 0.00250122
-5.40147220 12.91077971 0.27122080
0.00040230 -0.00037396 0.00065269
0.01460765 0.00853694 -0.00637561
3.73735086 10.72564218 3.51311323
0.00004804 -0.00066724 -0.00011117
0.01726793 0.04271604 -0.00044842
6.31244911 12.27071150 3.51865029
0.00003419 -0.00034962 -0.00059348
0.03139452 -0.00597371 -0.00019055
25.29906200 -13.20667205 -8.60239000
-0.00020464 0.00080997 0.00064913
-0.00788078 0.00252421 0.00391967
26.28239374 -11.56522163 -10.92176736
0.00087547 0.00031877 -0.00044058
-0.02857987 -0.00047218 0.01414278
14.73733344 -4.11064209 -0.95124546
-0.00029675 -0.00011512 0.00003087
-0.01230524 0.00579715 0.00339477
17.19124401 -5.57217921 -0.87861887
-0.00006289 0.00000092 -0.00000246
-0.00998799 0.02904309 0.01243760
12.11527993 7.97813216 11.55037235
0.00046646 -0.00038740 0.00133048
-0.01354655 0.00554472 0.02227897
13.07174532 9.61064648 9.19795827
0.00095200 0.00024196 0.00010010
-0.00047717 -0.00627543 0.01222534
-0.04357140 -14.40308082 17.10450665
-0.00007726 0.00045468 0.00038953
-0.00529234 0.00279436 -0.00110265
1.67762587 -12.18195737 18.25994169
-0.00063403 0.00023557 0.00019152
-0.00713844 0.01725531 0.00296805
-3.95471283 -2.32234957 -13.53638900
0.00055170 -0.00037264 -0.00012686
-0.00783283 0.03163167 -0.01682096
-3.21728440 -0.51363795 -15.83642199
0.00036301 -0.00000137 -0.00082776
0.02019741 -0.00711872 -0.02473177
14.13340717 -8.11036103 -10.56281192
-0.00131413 -0.00037623 0.00039653
0.00425826 -0.00360901 -0.01666161
16.16650238 -6.36757876 -9.21933229
0.00051688 -0.00047334 -0.00010916
-0.01516798 -0.02838006 0.00167739
7.23659071 -5.76180030 9.31624897
0.00036045 0.00016386 -0.00065932
0.00775925 -0.00303283 -0.01481335
9.36179952 -5.71588471 7.18314457
-0.00025491 -0.00053147 0.00033277
-0.01255485 -0.01538799 0.02328199
-21.13902590 2.03532885 20.86825171
-0.00111604 -0.00076871 0.00098073
-0.00116145 0.00777206 -0.00562162
-21.75480245 0.59833235 23.22646762
-0.00020228 -0.00010074 0.00041197
-0.00639133 0.00423276 0.01021241
26.47145296 -2.95200069 -6.18052922
0.00043844 -0.00030948 -0.00054894
0.00003418 -0.00095276 -0.00656353
25.15719802 -1.53583337 -8.21392393
-0.00009843 -0.00030452 -0.00036342
-0.00404483 0.01624723 -0.00819748
8.99228348 -15.80455946 -7.59986822
0.00048812 0.00042507 -0.00018546
0.01679591 0.01387111 -0.00441577
8.70484478 -12.89110659 -7.14311411
0.00055092 0.00013125 0.00013702
-0.00358207 0.01055982 0.00800487
-5.62289940 -11.04753490 18.01881639
-0.00059407 -0.00032460 0.00004330
-0.01542197 -0.01539903 -0.02237983
-7.34029743 -11.27423467 15.55095641
-0.00018666 -0.00055553 0.00041990
0.00866341 0.00524935 0.00015165
9.03663249 1.75217697 -29.43385267
-0.00174161 -0.00068064 0.00007695
-0.00976095 0.03164188 -0.00215595
6.82545480 3.22870504 -30.54135066
-0.00044023 -0.00013081 0.00048720
-0.02846691 -0.00626545 -0.01414513
12.58509367 14.97884326 14.52577059
-0.00030121 0.00085035 -0.00083568
-0.01070560 0.00469550 0.00700852
11.20419627 16.00971679 17.07147050
-0.00050593 -0.00010908 0.00104789
-0.00654932 -0.00845502 -0.03273709
29.20531374 4.97436768 -4.46668120
0.00090187 -0.00022033 0.00060513
-0.00165966 -0.00000561 0.00445845
26.91204350 6.50300488 -3.65813913
0.00004721 -0.00006741 -0.00021972
-0.02504747 0.00973362 -0.00250169
-9.95676290 4.88659958 6.86989086
0.00003759 -0.00010145 -0.00022276
-0.00033135 0.00089529 -0.00518756
-8.68018268 13.26786468 2.59266694
-0.00004657 0.00007454 0.00001768
-0.00259273 -0.00041759 -0.00469891
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09439422
0.30142330
401.63143388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3645755501 (a.u.)
total exchange computation time: 2.6536450386 s
-154.0587963390
-931.39508875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3641723975 (a.u.)
total exchange computation time: 2.6532440186 s
-154.0632310968
Anderson extrapolation: theta=1.4030304327 (1.4030304327)
-931.39534761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3635083098 (a.u.)
total exchange computation time: 2.6550910473 s
-154.0704380669
Anderson extrapolation: theta=0.0776971650 (0.0776971650)
-931.39552155
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3633820607 (a.u.)
total exchange computation time: 2.6547970772 s
-154.0717802560
Anderson extrapolation: theta=2.6265555458 (2.0000000000)
-931.39553535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3631147284 (a.u.)
total exchange computation time: 2.6566071510 s
-154.0745601383
Anderson extrapolation: theta=0.6129779122 (0.6129779122)
-931.39555685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3629736337 (a.u.)
total exchange computation time: 2.6547429562 s
-154.0759742395
Anderson extrapolation: theta=0.7428965509 (0.7428965509)
-931.39556582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3629103253 (a.u.)
total exchange computation time: 2.6549880505 s
-154.0765681370
Anderson extrapolation: theta=0.7317712060 (0.7317712060)
-931.39557078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3629058425 (a.u.)
total exchange computation time: 2.6561238766 s
-154.0765662825
Anderson extrapolation: theta=0.5452406158 (0.5452406158)
-931.39557315
-115.639365 22.714086 143.055077
559.274433 1031.461974 -412.677282
443.635068 1054.176060 -269.622205
1175.072497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3629345100 (a.u.)
total exchange computation time: 2.6566801071 s
678.74988053
-1083.33498957
89.85432319
-389.46357162
-174.83828197
78.05733064
551.60419304
0.00000000
-931.39557396
3.92420845 -30.73932881 -2.27451256
0.00003151 -0.00000786 -0.00003587
-0.00918818 -0.01202554 -0.00187207
-11.66948112 -2.00761563 -9.17915610
0.00033462 0.00036465 -0.00005770
-0.02017918 -0.02252982 -0.01563337
-37.46506937 2.47360218 -0.00119771
-0.00013186 0.00008926 0.00021132
0.00302881 0.00895031 -0.00809102
-11.61231808 -4.02451034 3.82844023
-0.00017101 -0.00024246 -0.00002409
0.01967509 -0.01169054 0.00443089
4.46500680 -3.89223513 9.38892615
-0.00041387 -0.00013138 -0.00022427
0.01649006 0.01743188 -0.00472411
-31.89840836 -0.74748351 -0.57803967
-0.00011575 0.00049848 0.00015636
-0.02808047 -0.01181479 0.00420069
14.79345786 12.61284705 -13.99863266
-0.00047209 0.00003570 0.00030184
0.03639238 -0.02961498 0.10183878
-7.69907011 5.96102011 2.52105945
0.00001411 0.00014384 -0.00002476
-0.00329525 -0.02569600 -0.02879292
7.55899200 12.60666630 -5.68723361
0.00026595 0.00006725 -0.00023921
-0.03285668 -0.02909370 0.01544940
8.88576523 9.84619862 -19.02203967
-0.00001036 0.00008297 0.00006705
0.00581133 -0.00248267 -0.01166310
23.35043236 17.32176732 -2.13005539
0.00012136 0.00000057 -0.00005906
-0.01165042 0.02979244 -0.00532642
2.27597868 16.90895524 -19.40364961
0.00000954 -0.00007756 -0.00042410
0.00591812 -0.01723487 0.05167014
14.03420043 -1.32901596 -5.44099324
-0.00018483 0.00028896 -0.00033238
0.01067360 -0.00306431 0.01539885
-16.09253533 -1.62657950 3.19764923
0.00012809 0.00059827 -0.00011429
-0.01363163 -0.03302818 0.01643101
-16.92400424 -1.81656144 19.25422452
0.00018599 -0.00016942 -0.00046949
0.03627312 -0.01129384 -0.00321831
0.34971991 2.06666996 -5.03981716
0.00023374 -0.00007075 0.00022039
-0.01100975 -0.00590583 -0.00463094
22.49962795 -7.18320174 -8.92976438
0.00041889 -0.00000375 0.00012721
-0.01385997 -0.00879554 -0.00356086
-0.55916665 -6.43559783 7.24542448
-0.00024696 0.00002421 -0.00001099
0.00019873 0.01304442 0.00818319
-1.80651490 -1.41093699 -19.29978903
0.00015551 0.00001514 -0.00006519
-0.03287669 0.00236820 -0.02686554
3.29269314 2.15062599 -9.29060132
-0.00015023 -0.00027639 0.00006023
0.01857496 -0.01145276 -0.01248612
-3.78537784 17.95404682 12.22665892
-0.00017533 -0.00011932 0.00029838
0.02815136 -0.00857602 0.01255225
-3.81392945 4.98529507 -11.17863192
-0.00015096 -0.00005704 0.00049874
0.01289169 -0.00518717 0.05732703
-8.06225289 3.13047208 -8.99502323
0.00034292 -0.00027938 -0.00003379
-0.04296398 -0.02495952 0.03221435
2.10302841 27.35825989 8.52953784
0.00033162 0.00013321 0.00020400
0.00221734 0.01513014 -0.03240630
9.93652012 -6.19186263 -1.93809215
-0.00027458 0.00004072 0.00015400
-0.00426318 0.01699075 -0.01263501
-8.78100478 0.70549613 5.94289639
0.00011105 0.00029873 0.00010469
-0.01186866 -0.01367211 -0.00001090
20.38404135 10.74751234 8.86725588
-0.00014193 0.00012655 0.00012940
0.00653341 -0.03635331 0.00926233
-2.53455429 -2.13574936 -27.19304501
0.00045685 0.00003208 -0.00007085
-0.00986578 -0.02528743 0.01440262
-14.30251479 6.09001755 7.56573622
-0.00004954 0.00013037 0.00024689
-0.00929133 0.01896297 -0.00263616
-9.73386676 7.24182363 -2.60095651
0.00039888 0.00009768 0.00023449
-0.00747792 0.00358153 -0.01702238
-1.75670138 -15.70815770 23.82989372
-0.00007799 0.00038135 -0.00048055
0.08224433 0.01938895 -0.02092979
-2.61916809 6.32384907 -6.36203061
-0.00013463 -0.00003118 0.00016799
0.00097844 0.00876089 0.00893434
-20.15368418 31.09205815 4.44946489
0.00049291 -0.00009630 -0.00036740
-0.01704018 -0.02300785 -0.03174380
7.58757505 0.02964015 8.00924152
0.00006970 0.00008634 -0.00014712
0.00403223 0.02212331 0.01131877
5.58985006 11.37787301 -13.83136495
0.00033567 0.00027815 0.00039423
-0.02322046 0.00834582 -0.00812340
15.68200060 3.00875717 -1.96421992
-0.00035647 -0.00030659 0.00002410
-0.00433340 -0.01367221 0.00235466
-4.22426773 13.58372215 -1.03919748
-0.00030291 -0.00014164 0.00027006
-0.00109065 -0.01221434 -0.00036589
4.57847582 12.55842689 3.24254568
0.00003567 -0.00037811 -0.00020329
-0.04837948 -0.02698062 -0.00746051
24.86361683 -11.73332919 -9.59860200
0.00021391 0.00013416 -0.00027516
0.03655704 0.00035852 -0.02902027
16.43270011 -3.84538489 -0.41710784
0.00019198 0.00020961 -0.00013693
0.02759744 -0.03300178 -0.01308858
12.94611661 7.91953777 9.96898130
0.00006978 0.00013677 0.00017629
0.01570337 0.00361008 -0.02907721
1.61705045 -13.87210530 17.67249019
-0.00014460 -0.00034962 -0.00007649
0.02535636 -0.01336122 0.00018445
-4.33863099 -0.69099442 -14.46087414
0.00018537 -0.00012079 0.00047609
0.00123584 -0.02346845 0.03434139
15.08341378 -7.99960283 -9.01436174
0.00027741 0.00062825 0.00014730
0.00762756 0.02816391 0.00537486
8.68382345 -6.74815601 8.63467361
-0.00044084 -0.00045001 0.00032755
0.00744875 0.01652565 -0.01340917
-21.31929442 2.30067891 22.67710637
0.00017581 0.00014003 0.00007819
0.00623898 -0.01141850 0.00083170
25.79414602 -3.19974776 -7.89403067
-0.00017260 -0.00012890 -0.00024611
0.00528995 -0.00889563 0.01660929
9.83021855 -14.13372616 -7.81004298
-0.00005584 0.00000378 -0.00037445
0.00158035 -0.01283155 -0.00885310
-6.45705706 -12.27208131 16.81363041
-0.00042867 -0.00034915 0.00025509
0.01695920 0.01702655 0.02247536
8.20035561 3.46306644 -29.42008869
-0.00009057 -0.00006672 0.00021322
0.02475815 -0.03969699 0.01165126
10.85487788 15.49659200 15.24706449
-0.00009027 -0.00037464 0.00022756
0.03073586 0.01653178 0.02378924
28.55676838 6.03762442 -3.10326311
0.00013936 -0.00000717 -0.00035684
0.01977580 0.00432077 -0.00421104
5.37128346 -31.17859927 -3.27981939
0.00036891 0.00017264 0.00030926
0.01042653 -0.00826151 -0.00576855
3.90529702 -31.69643563 -0.73184584
0.00015686 -0.00018955 0.00018145
0.01026563 -0.00020501 0.00958087
-11.66273004 -3.83236102 -8.63951938
-0.00001190 0.00025410 -0.00039765
0.00091609 0.02122648 0.00010144
-12.70992889 -2.05169203 -10.73344488
-0.00015470 0.00051571 -0.00001819
0.01540281 0.00771633 0.01684272
-38.98470746 2.12048557 0.94646354
0.00035441 -0.00003756 -0.00053136
0.00097247 -0.00138354 0.00116299
-37.76840115 4.11879319 -0.93883084
-0.00007446 -0.00066788 0.00037381
-0.00039139 -0.02145882 0.01006290
-10.78145738 -5.75019289 3.60923605
0.00003929 0.00067168 0.00034417
-0.00348818 0.03071084 -0.00194910
-10.32824744 -2.68219890 3.62179345
-0.00055328 0.00025707 0.00001283
-0.00797626 -0.02100227 0.00141767
5.32301189 -2.45822172 8.47078449
-0.00020979 0.00004704 -0.00100060
-0.01409693 -0.01793041 0.02252689
4.75082985 -3.57450671 11.21218480
0.00051417 -0.00020358 -0.00024957
-0.00804616 0.00151954 -0.01308221
-33.36250595 -1.84269018 -0.78828430
-0.00007859 0.00046024 0.00012936
0.00490521 -0.00417372 0.00116411
-32.66307718 0.52536885 0.46965810
-0.00056809 0.00051267 0.00159413
0.00229701 0.01321708 0.00159837
14.67269274 12.78072070 -15.69990557
-0.00026474 -0.00043485 -0.00024441
0.00255273 0.00596624 -0.07426407
16.49393335 11.87615687 -13.43200184
-0.00066741 -0.00009646 0.00025258
-0.03707836 0.02029082 -0.02370332
-8.63384225 7.02374130 1.33600525
-0.00020841 -0.00020225 0.00069970
0.00288271 0.00356473 0.00733505
-7.41280022 4.52435316 1.26806684
-0.00049863 0.00085280 0.00097247
0.00309155 0.02099462 0.02146079
6.12722930 12.33040309 -6.77786553
-0.00020916 -0.00024903 -0.00053836
-0.00075375 0.00340254 -0.00393694
8.83521753 13.58934352 -6.57257169
-0.00042457 -0.00011254 -0.00060447
0.01608328 0.01621354 -0.01164532
8.55994236 8.86553444 -20.57256956
-0.00071845 -0.00028989 0.00044124
0.01244603 0.01462000 0.01448844
10.46494023 10.88182512 -19.21257201
-0.00129946 0.00116934 -0.00044603
-0.01508192 -0.01653142 -0.00498150
23.96900520 15.70968750 -2.64705133
-0.00062843 -0.00096638 0.00007885
0.00349409 -0.02122128 -0.00432787
24.91090025 18.30113180 -2.42844164
0.00064475 -0.00073694 0.00005383
-0.01494004 0.00905995 0.00928476
1.52650977 16.84355522 -20.99788526
-0.00065457 -0.00101716 -0.00025213
-0.01495990 0.01204962 -0.04721120
2.72369448 15.10450857 -19.12804803
-0.00003390 0.00060580 -0.00005766
0.01516288 0.01228617 0.00257204
12.92990207 -0.86719314 -6.80908152
0.00014211 0.00140420 0.00016103
-0.01127969 -0.00898039 -0.00288979
13.17935294 -1.31063586 -3.79162375
0.00089757 -0.00037775 0.00039409
0.00101609 0.00812506 -0.01993442
-17.38522682 -3.04170938 3.32529543
0.00030899 -0.00045586 -0.00072013
0.01529100 0.02638315 -0.00751918
-14.52172230 -2.57819417 3.51684469
-0.00084212 -0.00030692 0.00062593
-0.00527548 0.00480576 -0.00841312
-16.06612635 -0.26346511 19.88298274
0.00033036 -0.00031754 0.00056591
-0.01515546 -0.00260538 0.00396378
-15.54068418 -3.06642402 19.39306714
0.00076960 -0.00067374 0.00003979
-0.01544187 0.01141601 0.00275403
-0.87606293 0.64308473 -5.22969421
-0.00067960 0.00010588 -0.00005383
0.01039449 0.00270905 0.00748275
-0.77779809 3.49947519 -4.92260472
0.00012424 -0.00077481 -0.00042588
-0.00214940 0.00584508 0.00209170
23.28673470 -8.85512552 -9.32307161
-0.00028357 0.00037697 0.00022415
0.00044452 0.02688647 0.01056453
23.61125653 -5.76435982 -8.54502170
-0.00008603 -0.00004100 -0.00060587
0.01155514 -0.01299243 -0.00104576
0.47448275 -5.84437259 5.86822860
-0.00028807 0.00018115 0.00027696
0.00417477 -0.00488762 -0.01397366
-0.14238646 -5.12325773 8.46653532
0.00085321 -0.00024274 -0.00014465
-0.00264941 -0.01350891 0.00563457
-1.07852931 -2.94674436 -18.80263077
0.00000868 0.00074515 -0.00036764
0.02394550 -0.02428517 0.01544631
-3.06884451 -2.13799517 -20.50741529
0.00051627 0.00036570 -0.00018994
0.00453383 0.01953565 0.01100734
2.72578919 2.25992515 -11.01492287
-0.00055862 -0.00036181 -0.00070297
0.00173040 0.00656004 -0.00440040
1.95384594 2.71192879 -8.22724080
0.00051027 0.00059477 0.00037776
-0.01427070 0.00171925 0.01899782
-2.33898687 16.68300154 12.63529834
-0.00003861 -0.00060380 -0.00052468
-0.02143705 0.02167015 -0.00789975
-3.46906661 19.39548055 13.38287307
-0.00016757 -0.00050596 -0.00057528
-0.00438197 -0.02105669 -0.00543550
-4.47038512 6.21632551 -12.19268745
-0.00069530 0.00013249 0.00000472
-0.02695100 0.04771838 -0.03298653
-3.13428976 3.78389827 -12.22680660
-0.00078998 0.00049703 -0.00108005
0.01740370 -0.04412461 -0.03248221
-7.83334588 2.18089840 -7.41245493
-0.00044299 -0.00037475 0.00018836
0.00045095 0.01030829 -0.01597406
-6.44640583 3.63581480 -9.43580825
-0.00051435 -0.00055029 0.00019217
0.03889934 0.01366274 -0.01335436
2.14009867 28.34567535 6.90046568
0.00071694 0.00017825 0.00019314
0.00587167 -0.01837433 0.02356001
0.44386758 27.75365313 9.09957423
0.00091907 0.00061238 -0.00000029
-0.01081273 0.00243860 0.00817596
10.73376377 -7.17093931 -0.65960561
-0.00035030 -0.00115769 -0.00037944
0.01279601 -0.00940662 0.01869900
8.76023113 -7.33965211 -2.70135465
-0.00010253 0.00022796 -0.00049548
-0.00712235 -0.00616661 -0.00288612
-7.03635969 0.29491294 6.29198250
-0.00000771 0.00055719 -0.00013185
0.02035338 0.00558775 0.00062118
-9.40725020 -0.76569135 6.83314207
0.00002547 -0.00078013 0.00031303
-0.01639462 0.00732703 0.00164602
21.73976412 10.09774917 9.97898319
0.00026378 -0.00060245 -0.00049892
-0.01350347 0.01323497 -0.00657660
20.90262332 12.37308482 8.31182821
0.00049403 0.00020544 -0.00080645
0.00807375 0.02801567 -0.00254390
-1.51854722 -3.54292882 -26.32947194
-0.00010585 -0.00066695 -0.00056991
-0.02165325 0.03120463 -0.01149381
-4.35819454 -2.20503217 -26.65560389
0.00112829 0.00013251 -0.00064686
0.03475329 -0.00196729 -0.00532524
-14.27827433 7.25860267 8.98011928
0.00040290 0.00014943 0.00020014
0.00458799 -0.00901048 0.00378336
-15.10067193 7.27170636 6.37850394
-0.00084959 -0.00013851 0.00084919
0.00812412 -0.01349486 -0.00160900
-11.22969311 6.84447850 -3.62187917
0.00011847 0.00104975 0.00023926
0.01271823 0.00868486 0.00991991
-8.69522040 8.36021159 -3.72563508
-0.00019402 0.00015935 -0.00044758
-0.00846366 -0.01351260 0.01127193
-1.20206030 -17.41422020 23.47026318
-0.00058092 -0.00000749 0.00002078
0.00520459 -0.00974863 -0.00445279
-3.35964475 -15.73252699 24.37522865
0.00022322 -0.00054159 -0.00056440
-0.08279869 -0.00166906 0.02480749
-2.81732963 5.73069628 -8.06549295
0.00099563 0.00083960 0.00020372
-0.00019381 -0.00137744 -0.01002876
-3.77355831 7.75681675 -6.24652566
0.00005581 -0.00094868 -0.00033166
-0.00692247 -0.00434644 0.00393307
-21.18104948 30.57534042 2.90272294
-0.00024392 -0.00007271 -0.00045796
0.00312890 -0.00494940 0.02816256
-21.29959228 32.09044042 5.43988339
-0.00044784 -0.00066603 0.00075496
-0.01122682 0.00165353 0.00698563
7.04847530 -0.05707488 6.28749903
0.00004706 0.00078841 -0.00077847
-0.00631535 -0.01448512 -0.02767914
7.42772624 1.85323796 8.20417222
0.00041771 0.00004373 -0.00143118
0.00102279 -0.00212063 0.01102667
6.79432463 12.79234899 -13.77048706
0.00067871 -0.00014632 -0.00101323
0.00679682 0.00043574 -0.00019989
4.30702111 12.05661107 -15.04375398
-0.00123290 -0.00006485 -0.00056524
0.02270517 -0.01108302 0.01805631
14.48489116 3.86464854 -3.07027890
0.00011226 -0.00040416 -0.00036921
0.00453861 0.00141636 0.00885588
15.15036863 1.22862943 -1.93119172
-0.00026546 -0.00104854 0.00025595
0.00710643 0.02002116 -0.00214695
-2.47897509 13.47837906 -0.48680571
-0.00030873 -0.00032015 0.00036584
-0.01125812 -0.00423520 0.00195740
-5.39499006 12.90543186 0.28081572
0.00045976 -0.00033925 0.00062664
0.01351877 0.00845599 -0.00637603
3.73860054 10.71694246 3.51143200
0.00011836 -0.00049182 -0.00011301
0.01715561 0.04315346 -0.00045514
6.31392392 12.26528414 3.50974222
0.00016259 -0.00037424 -0.00059413
0.03146203 -0.00607951 -0.00012653
25.29575097 -13.19444518 -8.59253288
-0.00023542 0.00081826 0.00066551
-0.00718790 0.00153427 0.00409749
26.29465009 -11.56045451 -10.92794264
0.00075547 0.00031579 -0.00037934
-0.03016376 -0.00098634 0.01583394
14.73250510 -4.11219132 -0.95067838
-0.00033939 -0.00009033 0.00004736
-0.00856898 0.00634066 0.00467760
17.18999460 -5.57127542 -0.87827463
-0.00010336 0.00011966 0.00004834
-0.00982158 0.02908044 0.01242727
12.12186169 7.97249109 11.57101226
0.00041790 -0.00036383 0.00140774
-0.01022357 0.00599211 0.01554114
13.08601065 9.61408352 9.19983437
0.00094865 0.00021497 0.00015212
-0.00116078 -0.00693308 0.01323929
-0.04489248 -14.39617501 17.11031584
-0.00010425 0.00046276 0.00038298
-0.00792035 0.00115945 -0.00210454
1.66789662 -12.17789509 18.26290537
-0.00066215 0.00029508 0.00020015
-0.00662263 0.01187405 0.00125856
-3.94667739 -2.32696985 -13.53880730
0.00051948 -0.00024397 -0.00019470
-0.00793894 0.03135161 -0.01638937
-3.21122030 -0.51387671 -15.84959628
0.00043208 -0.00003254 -0.00091271
0.01361014 -0.00813485 -0.01685274
14.11382563 -8.11611514 -10.55737455
-0.00128894 -0.00038867 0.00033751
0.00807586 -0.00247791 -0.01222871
16.17379073 -6.37554846 -9.22091822
0.00045641 -0.00058314 -0.00010425
-0.01442916 -0.02536978 0.00072554
7.24223530 -5.75943535 9.30590530
0.00038494 0.00015388 -0.00071499
0.00422706 -0.00185359 -0.01244042
9.35759113 -5.72432824 7.18884950
-0.00030484 -0.00059497 0.00042715
-0.01188363 -0.01569989 0.02291695
-21.15580214 2.02403633 20.88279041
-0.00111875 -0.00073715 0.00094362
-0.00016305 0.00767593 -0.01254523
-21.75803253 0.59695102 23.23296018
-0.00022682 -0.00007774 0.00045340
-0.00562025 0.00702274 0.01006663
26.47803064 -2.95667215 -6.18896438
0.00043826 -0.00031270 -0.00057495
-0.00012222 -0.00062114 -0.00616863
25.15559765 -1.53990325 -8.21962640
-0.00011563 -0.00023595 -0.00039665
-0.00437567 0.01731868 -0.00806872
9.00011999 -15.79775841 -7.60278544
0.00055250 0.00047528 -0.00020249
0.01471526 0.01070948 -0.00392198
8.71299882 -12.88881424 -7.14081352
0.00053518 0.00017499 0.00017021
-0.00412157 0.01085179 0.00824067
-5.63228307 -11.05287571 18.01878003
-0.00065570 -0.00038620 -0.00004611
-0.01474668 -0.01475795 -0.02138481
-7.34283183 -11.28240678 15.55725960
-0.00015403 -0.00053127 0.00041676
0.00730852 0.00662502 -0.00169142
9.01020923 1.74293698 -29.43276445
-0.00177791 -0.00055334 0.00006931
-0.00801018 0.03067349 -0.00158486
6.81797899 3.22655093 -30.53447612
-0.00055533 -0.00015414 0.00043104
-0.02787260 -0.00515375 -0.01334425
12.58024747 14.99174244 14.51345012
-0.00034366 0.00086918 -0.00080382
-0.01007315 0.00451978 0.00858931
11.19640661 16.00782153 17.08618575
-0.00053205 -0.00014600 0.00090663
-0.00623490 -0.00961776 -0.03641393
29.21879087 4.97106251 -4.45746768
0.00089468 -0.00022219 0.00061907
-0.00185796 -0.00090334 0.00236717
26.91198418 6.50229201 -3.66151158
-0.00005295 -0.00002920 -0.00023082
-0.02398479 0.00897043 -0.00293058
-9.95619994 4.88508020 6.86653560
0.00003745 -0.00010105 -0.00022456
-0.00043248 0.00133012 -0.00488878
-8.68088577 13.26898201 2.59292396
-0.00004718 0.00007443 0.00001660
-0.00264784 -0.00052548 -0.00461119
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09528006
0.30029390
400.12656678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3622885488 (a.u.)
total exchange computation time: 2.6564240456 s
-154.0526147249
-931.39538307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3620109682 (a.u.)
total exchange computation time: 2.6559610367 s
-154.0561629881
Anderson extrapolation: theta=1.3924289901 (1.3924289901)
-931.39563457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3615744001 (a.u.)
total exchange computation time: 2.6557049751 s
-154.0617855564
Anderson extrapolation: theta=0.0749998732 (0.0749998732)
-931.39580068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3615063212 (a.u.)
total exchange computation time: 2.6570420265 s
-154.0627425197
Anderson extrapolation: theta=2.5516937063 (2.0000000000)
-931.39581303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3613752695 (a.u.)
total exchange computation time: 2.6546809673 s
-154.0646295182
Anderson extrapolation: theta=0.5561520514 (0.5561520514)
-931.39583169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3613310578 (a.u.)
total exchange computation time: 2.6557440758 s
-154.0653706553
Anderson extrapolation: theta=0.7734137138 (0.7734137138)
-931.39583883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3613360407 (a.u.)
total exchange computation time: 2.6549198627 s
-154.0655222872
Anderson extrapolation: theta=0.6742330477 (0.6742330477)
-931.39584303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3613748443 (a.u.)
total exchange computation time: 2.6542451382 s
-154.0652472569
Anderson extrapolation: theta=0.5747378573 (0.5747378573)
-931.39584506
-115.681082 22.704586 143.036242
559.253829 1031.438937 -412.681094
443.572747 1054.143524 -269.644852
1175.024977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3614216462 (a.u.)
total exchange computation time: 2.6554861069 s
678.71678395
-1083.27699039
89.86328025
-389.50389111
-174.83360695
78.02687822
551.60419304
0.00000000
-931.39584590
3.92464559 -30.73949306 -2.27505790
0.00002694 -0.00001446 -0.00003640
-0.00857996 -0.01366701 -0.00015322
-11.66453965 -2.00223279 -9.18008197
0.00032395 0.00035298 -0.00006609
-0.02131996 -0.02284141 -0.01696939
-37.46703563 2.47497566 0.00194086
-0.00012892 0.00009334 0.00020684
0.00841081 0.00691613 -0.00932438
-11.61480733 -4.02819231 3.82809591
-0.00016128 -0.00024739 -0.00002167
0.01816096 -0.00750162 0.00498838
4.45886239 -3.89413863 9.38554385
-0.00040500 -0.00012183 -0.00022711
0.01799562 0.01972021 -0.00630084
-31.90025299 -0.74005192 -0.57567808
-0.00013101 0.00049378 0.00015980
-0.03123949 -0.00646712 0.00918546
14.78651690 12.61326836 -13.99371220
-0.00045376 0.00002079 0.00035217
0.03488410 -0.02837448 0.09388551
-7.69887116 5.96307863 2.52057694
0.00001261 0.00013128 -0.00003777
-0.00252599 -0.02316041 -0.02178347
7.56285457 12.60756282 -5.69076214
0.00024764 0.00005172 -0.00023173
-0.03834727 -0.03128292 0.01364117
8.88563221 9.84743355 -19.02107898
-0.00000808 0.00008141 0.00006128
0.00305068 -0.00355757 -0.01075206
23.35220789 17.32189084 -2.13096188
0.00011569 0.00001466 -0.00006210
-0.01043094 0.02497501 -0.00648191
2.27614463 16.90772538 -19.40981185
0.00001217 -0.00008552 -0.00039824
0.00431142 -0.01371625 0.04892440
14.03146914 -1.32469342 -5.44591948
-0.00017880 0.00028711 -0.00032386
0.01277038 -0.00410763 0.01773482
-16.09066650 -1.61773283 3.19599824
0.00012032 0.00058050 -0.00010586
-0.01658721 -0.03609719 0.01635409
-16.92107454 -1.81914631 19.24716976
0.00020580 -0.00017570 -0.00047072
0.04079059 -0.01313373 -0.00156654
0.35318351 2.06558591 -5.03652911
0.00022792 -0.00007504 0.00021788
-0.01162365 -0.01075843 -0.00516358
22.50585786 -7.18329196 -8.92786998
0.00041059 -0.00000801 0.00012540
-0.01843143 -0.00777175 -0.00347637
-0.56287033 -6.43518433 7.24529126
-0.00024690 0.00003088 -0.00000663
0.00003787 0.01286923 0.00873950
-1.80430900 -1.41070068 -19.30087059
0.00013824 0.00001804 -0.00007916
-0.03431174 0.00890543 -0.02745859
3.29051137 2.14643593 -9.28974608
-0.00014110 -0.00028223 0.00005225
0.01691344 -0.01124690 -0.01852480
-3.78789924 17.95222399 12.23118309
-0.00016089 -0.00012503 0.00030378
0.02800416 -0.01365432 0.00842029
-3.81614412 4.98441943 -11.17092967
-0.00014456 -0.00005901 0.00052595
0.01200557 -0.00248013 0.04849298
-8.05727478 3.12618516 -8.99540575
0.00031866 -0.00029289 -0.00001657
-0.05136873 -0.02760113 0.03474061
2.10801119 27.36031645 8.53247283
0.00033372 0.00014078 0.00018697
0.00597541 0.01430533 -0.03381062
9.93238496 -6.19118622 -1.93583085
-0.00027660 0.00004896 0.00014791
-0.00358242 0.01503797 -0.01103987
-8.77938483 0.70992432 5.94446672
0.00010396 0.00029025 0.00010547
-0.01569502 -0.01927924 0.00302491
20.38193763 10.74927037 8.86923268
-0.00013805 0.00010887 0.00013380
0.00854490 -0.03239782 0.00781479
-2.52773956 -2.13536565 -27.19405221
0.00045286 0.00001910 -0.00006385
-0.00565591 -0.02520145 0.01281647
-14.30329371 6.09204621 7.56942943
-0.00005417 0.00013982 0.00024575
-0.00873028 0.01780753 -0.00180206
-9.72791236 7.24330272 -2.59750480
0.00039487 0.00009975 0.00022557
-0.00812716 0.00445336 -0.01765177
-1.75755395 -15.70236271 23.82260473
-0.00003551 0.00039091 -0.00049140
0.08292698 0.01779843 -0.02128098
-2.62118377 6.32341524 -6.35947634
-0.00013319 -0.00002755 0.00017309
0.00462197 0.00534894 0.01091999
-20.14635623 31.09052489 4.44383143
0.00048252 -0.00010743 -0.00038302
-0.02336412 -0.02027058 -0.02897700
7.58863609 0.03102058 8.00707840
0.00007138 0.00009740 -0.00014285
0.00248669 0.02089354 0.00528914
5.59479548 11.38207738 -13.82548291
0.00032194 0.00028267 0.00038858
-0.03015019 0.00925084 -0.01382648
15.67663681 3.00410564 -1.96384936
-0.00035868 -0.00031473 0.00002547
-0.00424090 -0.01799107 0.00298311
-4.22881561 13.58155044 -1.03514806
-0.00030315 -0.00014791 0.00026990
0.00014898 -0.01217015 -0.00025277
4.57882426 12.55265111 3.23946761
0.00001120 -0.00039182 -0.00020706
-0.04677685 -0.02630142 -0.00722096
24.86696655 -11.73131545 -9.60284137
0.00023280 0.00013468 -0.00029038
0.03688678 0.00166662 -0.03015812
16.43568626 -3.84236805 -0.41921233
0.00020502 0.00019263 -0.00014393
0.02309871 -0.03302508 -0.01410237
12.94722391 7.92160320 9.97151343
0.00007707 0.00013858 0.00016291
0.01265231 0.00342956 -0.02293665
1.61497924 -13.87740110 17.67134350
-0.00013103 -0.00035460 -0.00007568
0.02740284 -0.00600455 0.00299674
-4.33584571 -0.69289673 -14.45360039
0.00018767 -0.00013229 0.00049137
0.00770486 -0.02126555 0.02508927
15.08760435 -7.99007038 -9.01213152
0.00027990 0.00064140 0.00014907
0.00207236 0.02294290 0.00151940
8.67723964 -6.75484239 8.63953507
-0.00043619 -0.00044187 0.00032024
0.01061258 0.01510546 -0.01498681
-21.31663313 2.30273533 22.67828246
0.00017861 0.00013355 0.00008041
0.00463592 -0.01379703 0.00777867
25.79157746 -3.20171554 -7.89765826
-0.00016981 -0.00013366 -0.00023780
0.00553613 -0.00962624 0.01569582
9.82938704 -14.13371894 -7.81569394
-0.00005439 -0.00000188 -0.00037911
0.00406983 -0.00916864 -0.00926978
-6.46342164 -12.27725294 16.81754352
-0.00041993 -0.00034096 0.00026665
0.01700713 0.01482790 0.02246802
8.19909257 3.46191245 -29.41684542
-0.00007867 -0.00008701 0.00021866
0.02151960 -0.03918111 0.00948412
10.85364244 15.49103614 15.25056970
-0.00007465 -0.00036570 0.00024018
0.02999377 0.01822482 0.02526973
28.55893514 6.03753357 -3.10863200
0.00014907 -0.00000447 -0.00035840
0.01796511 0.00617369 -0.00184584
5.37713667 -31.17626277 -3.27535719
0.00041032 0.00013924 0.00028559
0.00984258 -0.00808938 -0.00581949
3.90796447 -31.69928520 -0.72883055
0.00019860 -0.00018788 0.00021709
0.01016444 0.00102590 0.00786672
-11.66288047 -3.82789914 -8.64548096
-0.00000775 0.00034096 -0.00039645
0.00111708 0.02129188 0.00048167
-12.71177740 -2.04371987 -10.73320166
-0.00009030 0.00054756 0.00005251
0.01612198 0.00787393 0.01776849
-38.97936157 2.11987983 0.93852875
0.00034812 -0.00004565 -0.00052010
-0.00404945 -0.00257647 0.00434996
-37.76953002 4.10811737 -0.93291538
-0.00007689 -0.00074844 0.00041102
-0.00079956 -0.01797214 0.00815303
-10.78097491 -5.73917667 3.61433885
0.00002820 0.00078950 0.00033509
-0.00193862 0.02696460 -0.00249497
-10.33679098 -2.67898648 3.62202927
-0.00058630 0.00017052 0.00001865
-0.00818893 -0.02136091 0.00143330
5.31943306 -2.45806556 8.45646573
-0.00027016 -0.00003038 -0.00090486
-0.01545631 -0.01996986 0.02433923
4.75829577 -3.57751382 11.20804039
0.00048065 -0.00019716 -0.00030383
-0.00835886 0.00162224 -0.01347944
-33.36353456 -1.83591453 -0.78630827
-0.00005887 0.00044325 0.00013383
0.00474880 -0.00414221 0.00102603
-32.67152822 0.53346395 0.49361896
-0.00055175 0.00055505 0.00159059
0.00570406 0.00752805 -0.00332857
14.66879983 12.77438082 -15.70584739
-0.00025379 -0.00041224 -0.00053330
0.00281071 0.00509865 -0.06714841
16.48278603 11.87533171 -13.42893953
-0.00081623 -0.00001418 0.00015712
-0.03577094 0.01998544 -0.02302374
-8.63688009 7.02081685 1.34672551
-0.00020045 -0.00018234 0.00072482
0.00101575 0.00617914 0.00496272
-7.42018500 4.53778846 1.28331154
-0.00048348 0.00092766 0.00105126
0.00432619 0.01565297 0.01710876
6.12406883 12.32677189 -6.78606150
-0.00020545 -0.00023397 -0.00054835
0.00256701 0.00396881 -0.00095425
8.82934187 13.58815225 -6.58199553
-0.00035525 -0.00004398 -0.00065378
0.01784601 0.01734864 -0.01249492
8.54954699 8.86163408 -20.56550705
-0.00066671 -0.00022963 0.00049956
0.01288085 0.01487670 0.01405921
10.44498611 10.89885858 -19.21941516
-0.00135588 0.00110325 -0.00046747
-0.01253483 -0.01581878 -0.00551231
23.95968578 15.69454145 -2.64600113
-0.00061669 -0.00104290 0.00006371
0.00225137 -0.01623595 -0.00308718
24.92011372 18.29035525 -2.42734973
0.00058352 -0.00070048 0.00009130
-0.01503299 0.00878921 0.00906056
1.51623285 16.82866709 -21.00311389
-0.00071366 -0.00096720 -0.00044078
-0.01396428 0.01240632 -0.04513721
2.72365063 15.11397199 -19.12883405
0.00002971 0.00064847 -0.00004561
0.01597489 0.00860454 0.00332289
12.93168802 -0.84640525 -6.80675458
0.00009235 0.00136809 0.00014752
-0.01307641 -0.00869994 -0.00372277
13.19284765 -1.31605320 -3.78632332
0.00090086 -0.00034366 0.00030976
0.00059571 0.00856658 -0.02134175
-17.38012334 -3.04773877 3.31426307
0.00037224 -0.00034236 -0.00075118
0.01566914 0.02917320 -0.00767749
-14.53451574 -2.58265067 3.52597589
-0.00085868 -0.00028682 0.00059167
-0.00283142 0.00503269 -0.00835860
-16.06163533 -0.26830807 19.89159283
0.00026680 -0.00033089 0.00058014
-0.01595659 -0.00392974 0.00300493
-15.52961340 -3.07618036 19.39374840
0.00069916 -0.00062053 0.00004981
-0.01903535 0.01463361 0.00215030
-0.88593845 0.64475600 -5.23027241
-0.00063177 0.00011893 -0.00002288
0.01302094 0.00367673 0.00766781
-0.77600041 3.48803208 -4.92892883
0.00011183 -0.00074305 -0.00041623
-0.00392137 0.00970487 0.00263116
23.28249475 -8.84864713 -9.31938567
-0.00027738 0.00047948 0.00026507
0.00258875 0.02329555 0.00946734
23.61032017 -5.76537290 -8.55414179
-0.00003415 -0.00008904 -0.00060851
0.01383916 -0.01052630 -0.00024687
0.47028968 -5.84180504 5.87195483
-0.00026986 0.00016104 0.00021680
0.00473890 -0.00496056 -0.01547450
-0.12966955 -5.12731282 8.46453821
0.00084183 -0.00029750 -0.00011976
-0.00291855 -0.01329678 0.00654915
-1.07766533 -2.93631126 -18.80767203
0.00011229 0.00063425 -0.00030066
0.02677081 -0.03000328 0.01734105
-3.06096157 -2.13191108 -20.50992711
0.00053180 0.00044381 -0.00014747
0.00307061 0.01870231 0.00978295
2.71746297 2.25469896 -11.02560233
-0.00054784 -0.00033536 -0.00070755
0.00354573 0.00638879 0.00216006
1.96106265 2.72090297 -8.22099232
0.00045180 0.00060153 0.00045424
-0.01434830 0.00159041 0.01844317
-2.34022296 16.67460858 12.62718608
-0.00012710 -0.00051281 -0.00055580
-0.02187958 0.02286794 -0.00733480
-3.47171447 19.38724588 13.37407724
-0.00018299 -0.00058360 -0.00059046
-0.00316678 -0.01694988 -0.00199540
-4.48164042 6.21977503 -12.19362751
-0.00080017 0.00031669 -0.00011862
-0.02438642 0.04244851 -0.02738984
-3.14560608 3.79000167 -12.24400275
-0.00072207 0.00032229 -0.00120651
0.01583688 -0.04141157 -0.02941713
-7.83997691 2.17559308 -7.41011899
-0.00044004 -0.00033112 0.00012144
0.00099309 0.01104699 -0.01678594
-6.45292912 3.62797905 -9.43333492
-0.00033923 -0.00049001 0.00013418
0.04682673 0.01584530 -0.01503305
2.15103264 28.34778599 6.90408469
0.00074092 0.00010294 0.00028903
0.00586672 -0.01849063 0.02338169
0.45732231 27.76291360 9.09982037
0.00086711 0.00062394 0.00003619
-0.01462310 0.00321927 0.00968130
10.72890137 -7.18859286 -0.66472423
-0.00029953 -0.00119302 -0.00030626
0.01205760 -0.00789157 0.01712566
8.75847496 -7.33642165 -2.70887534
-0.00013151 0.00020360 -0.00050747
-0.00706265 -0.00575830 -0.00298314
-7.03585167 0.30344199 6.29002377
0.00007729 0.00057885 -0.00012843
0.02125605 0.00501681 0.00105587
-9.40737047 -0.77716883 6.83788802
-0.00003534 -0.00073809 0.00031272
-0.01337521 0.01325445 -0.00179887
21.74330702 10.08911792 9.97129793
0.00020759 -0.00054683 -0.00052633
-0.01400375 0.01399300 -0.00684124
20.91028113 12.37702492 8.29965351
0.00052432 0.00031053 -0.00081317
0.00675458 0.02342627 -0.00074626
-1.52079843 -3.55197693 -26.33837283
-0.00019286 -0.00053888 -0.00061634
-0.02094291 0.03148910 -0.01123363
-4.34020527 -2.20310478 -26.66547003
0.00125982 0.00012418 -0.00066568
0.02963199 -0.00211199 -0.00388597
-14.27209020 7.26056809 8.98323734
0.00042204 0.00011276 0.00021616
0.00478128 -0.00894028 0.00405977
-15.11316678 7.26921515 6.39119253
-0.00081770 -0.00019168 0.00084039
0.00748557 -0.01252897 -0.00269788
-11.22752634 6.86049088 -3.61798627
0.00016943 0.00108357 0.00028085
0.01222758 0.00786969 0.01043751
-8.69839002 8.36218775 -3.73200332
-0.00022713 0.00010392 -0.00039944
-0.00774411 -0.01362122 0.01229187
-1.21061455 -17.41463131 23.47043840
-0.00055778 -0.00004488 0.00000213
0.00611885 -0.00855331 -0.00467562
-3.35883365 -15.74070197 24.36752287
-0.00011794 -0.00054728 -0.00046173
-0.08419964 -0.00111816 0.02544865
-2.80240119 5.74324802 -8.06274453
0.00099463 0.00083075 0.00015663
-0.00029522 -0.00295366 -0.01302077
-3.77293326 7.74245331 -6.25138007
0.00002010 -0.00095666 -0.00031371
-0.01055712 0.00044267 0.00485436
-21.18461241 30.57409812 2.89671645
-0.00022855 -0.00009210 -0.00034009
0.00439406 -0.00454040 0.02953553
-21.30665386 32.08050066 5.45142178
-0.00048422 -0.00066689 0.00077532
-0.00658129 -0.00207701 0.00298471
7.04898773 -0.04569260 6.27497385
0.00002404 0.00072710 -0.00088224
-0.00495318 -0.01552747 -0.02312044
7.43402317 1.85382898 8.18304243
0.00042199 0.00003934 -0.00138268
0.00107665 -0.00002838 0.01271331
6.80471357 12.79016748 -13.78569169
0.00070641 -0.00014225 -0.00101371
0.00676029 0.00155959 -0.00003371
4.28922339 12.05529868 -15.05167921
-0.00112657 -0.00011472 -0.00048013
0.02934134 -0.01332924 0.02360412
14.48671411 3.85862959 -3.07554562
0.00012932 -0.00039850 -0.00033400
0.00381169 0.00135062 0.00837909
15.14660456 1.21351487 -1.92741830
-0.00023462 -0.00095724 0.00024651
0.00798866 0.02466846 -0.00247318
-2.48395097 13.47344703 -0.48125813
-0.00035434 -0.00033698 0.00037284
-0.01107230 -0.00400285 0.00146807
-5.38767939 12.90060224 0.29001988
0.00051235 -0.00030512 0.00060098
0.01222266 0.00824852 -0.00618092
3.74090163 10.71088745 3.50972288
0.00018781 -0.00031562 -0.00011490
0.01683886 0.04309812 -0.00046943
6.31732692 12.25948418 3.50082640
0.00028849 -0.00039890 -0.00059492
0.03016534 -0.00599132 -0.00026267
25.29199941 -13.18212428 -8.58242464
-0.00026332 0.00082276 0.00068243
-0.00646924 0.00066988 0.00418593
26.30505782 -11.55574785 -10.93314753
0.00063030 0.00031077 -0.00031227
-0.03110567 -0.00147083 0.01699870
14.72715160 -4.11335195 -0.94982464
-0.00036636 -0.00006324 0.00006912
-0.00463196 0.00692049 0.00597150
17.18814326 -5.56858940 -0.87716878
-0.00014260 0.00023729 0.00009868
-0.00938823 0.02850215 0.01221841
12.12781690 7.96721726 11.59260463
0.00038313 -0.00033848 0.00145667
-0.00679442 0.00641781 0.00840704
13.10020484 9.61709566 9.20252186
0.00094261 0.00018589 0.00020789
-0.00179825 -0.00730089 0.01406267
-0.04669897 -14.38919814 17.11599606
-0.00014156 0.00046429 0.00037248
-0.01034072 -0.00041027 -0.00303608
1.65776150 -12.17310509 18.26594619
-0.00068798 0.00033211 0.00020164
-0.00602481 0.00625234 -0.00052927
-3.93912850 -2.32966871 -13.54223004
0.00048718 -0.00011806 -0.00025991
-0.00787156 0.03028090 -0.01552995
-3.20432210 -0.51461403 -15.86380341
0.00047414 -0.00006783 -0.00096507
0.00697989 -0.00914295 -0.00877648
14.09473903 -8.12202110 -10.55268664
-0.00124775 -0.00039637 0.00029680
0.01208355 -0.00129030 -0.00770021
16.18019478 -6.38507298 -9.22245969
0.00039979 -0.00067956 -0.00010334
-0.01328857 -0.02182678 -0.00028213
7.24813894 -5.75718399 9.29479921
0.00039451 0.00014912 -0.00076069
0.00045474 -0.00047344 -0.00992919
9.35265444 -5.73373395 7.19595893
-0.00035131 -0.00065892 0.00051874
-0.01086430 -0.01560413 0.02191753
-21.17258836 2.01321424 20.89656026
-0.00111769 -0.00070626 0.00087868
0.00068208 0.00744531 -0.01924419
-21.76160705 0.59600009 23.24006968
-0.00024820 -0.00004368 0.00049416
-0.00484449 0.00964920 0.00988338
26.48460082 -2.96138167 -6.19777760
0.00043757 -0.00031449 -0.00059899
-0.00021804 -0.00025506 -0.00560308
25.15372912 -1.54291173 -8.22582337
-0.00013364 -0.00016427 -0.00042906
-0.00444180 0.01776647 -0.00779496
9.00885834 -15.79030101 -7.60594302
0.00060779 0.00051149 -0.00021724
0.01235205 0.00701440 -0.00329745
8.72090026 -12.88585682 -7.13800788
0.00051794 0.00021909 0.00020400
-0.00431986 0.01073629 0.00829966
-5.64257052 -11.05912097 18.01743308
-0.00071383 -0.00044421 -0.00013036
-0.01370730 -0.01363692 -0.01985651
-7.34491833 -11.29017287 15.56345912
-0.00012691 -0.00050161 0.00040614
0.00596463 0.00789764 -0.00350457
8.98329505 1.73557686 -29.43177335
-0.00180645 -0.00043146 0.00006402
-0.00596021 0.02898582 -0.00100654
6.80879497 3.22408096 -30.52841941
-0.00066612 -0.00017260 0.00037962
-0.02636071 -0.00388304 -0.01182674
12.57478392 15.00491863 14.50165605
-0.00038321 0.00088720 -0.00076578
-0.00928698 0.00429981 0.01003048
11.18823483 16.00533684 17.09866933
-0.00055650 -0.00018708 0.00075224
-0.00573588 -0.01049108 -0.03915811
29.23215413 4.96770197 -4.44810908
0.00088677 -0.00022776 0.00062441
-0.00201597 -0.00182122 0.00024511
26.91045493 6.50212889 -3.66506363
-0.00014700 0.00000539 -0.00024314
-0.02205019 0.00795975 -0.00310102
-9.95563931 4.88356796 6.86315409
0.00003728 -0.00010050 -0.00022624
-0.00054917 0.00174672 -0.00452986
-8.68159807 13.27009752 2.59316492
-0.00004779 0.00007431 0.00001554
-0.00264128 -0.00052392 -0.00451273
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09529437
0.30055153
400.46984746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3615686007 (a.u.)
total exchange computation time: 2.6541810036 s
-154.0421673992
-931.39680051
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3612962307 (a.u.)
total exchange computation time: 2.6549291611 s
-154.0455449980
Anderson extrapolation: theta=1.3409040008 (1.3409040008)
-931.39702917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3608369085 (a.u.)
total exchange computation time: 2.6559631824 s
-154.0510418083
Anderson extrapolation: theta=0.0512188972 (0.0512188972)
-931.39716608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3607385897 (a.u.)
total exchange computation time: 2.6547470093 s
-154.0521199081
Anderson extrapolation: theta=1.9408797662 (1.9408797662)
-931.39717148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3605276051 (a.u.)
total exchange computation time: 2.6540639400 s
-154.0543793920
Anderson extrapolation: theta=0.2272676627 (0.2272676627)
-931.39717754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3604772547 (a.u.)
total exchange computation time: 2.6559209824 s
-154.0548884317
Anderson extrapolation: theta=1.9060902330 (1.9060902330)
-931.39717885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3604051497 (a.u.)
total exchange computation time: 2.6555330753 s
-154.0556060535
Anderson extrapolation: theta=0.2930339596 (0.2930339596)
-931.39718071
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3604075944 (a.u.)
total exchange computation time: 2.6554069519 s
-154.0555745471
Anderson extrapolation: theta=1.3377452246 (1.3377452246)
-931.39718123
-115.729659 22.706478 143.012176
559.231388 1031.420316 -412.685743
443.501728 1054.126794 -269.673567
1174.989751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3604276651 (a.u.)
total exchange computation time: 2.6550259590 s
678.69132904
-1083.23354864
89.87108460
-389.53541280
-174.83020629
78.00359480
551.60419304
0.00000000
-931.39718175
3.92501655 -30.73976274 -2.27560442
0.00002278 -0.00002195 -0.00003605
-0.00759970 -0.01542642 0.00148034
-11.65976266 -1.99702617 -9.18113876
0.00031281 0.00034129 -0.00007502
-0.02198090 -0.02261480 -0.01776826
-37.46893700 2.47640250 0.00500750
-0.00012320 0.00009624 0.00020185
0.01384860 0.00432949 -0.01009470
-11.61715648 -4.03193215 3.82779008
-0.00015252 -0.00025009 -0.00001894
0.01590304 -0.00297727 0.00563454
4.45285681 -3.89588998 9.38211294
-0.00039548 -0.00011129 -0.00023072
0.01902210 0.02127030 -0.00773803
-31.90233863 -0.73267022 -0.57324563
-0.00014778 0.00049176 0.00016577
-0.03396798 -0.00136464 0.01401662
14.77984506 12.61347077 -13.98806745
-0.00043654 0.00000671 0.00039741
0.03209132 -0.02637255 0.08203569
-7.69869171 5.96495847 2.51992639
0.00001146 0.00012030 -0.00004698
-0.00194475 -0.01952660 -0.01403123
7.56642131 12.60821801 -5.69418544
0.00022678 0.00003525 -0.00022526
-0.04279860 -0.03278533 0.01152414
8.88552272 9.84864104 -19.02020124
-0.00000723 0.00007931 0.00005611
0.00027558 -0.00460888 -0.00936154
23.35390295 17.32220702 -2.13191837
0.00011061 0.00002610 -0.00006572
-0.00932522 0.01951727 -0.00758871
2.27634384 16.90638969 -19.41559666
0.00001373 -0.00009159 -0.00037426
0.00176484 -0.00991227 0.04430123
14.02883636 -1.32040257 -5.45070891
-0.00017174 0.00028475 -0.00031434
0.01469271 -0.00506335 0.01927698
-16.08892562 -1.60916464 3.19447342
0.00011118 0.00056136 -0.00009752
-0.01898890 -0.03831231 0.01608877
-16.91783015 -1.82183250 19.24010293
0.00022770 -0.00018281 -0.00047112
0.04438025 -0.01450362 0.00002677
0.35655744 2.06441885 -5.03328090
0.00022182 -0.00008168 0.00021510
-0.01207086 -0.01507197 -0.00561244
22.51194558 -7.18344214 -8.92600241
0.00039992 -0.00001158 0.00012368
-0.02304866 -0.00610432 -0.00319086
-0.56657372 -6.43467155 7.24522546
-0.00024689 0.00003742 -0.00000210
0.00000695 0.01258480 0.00887921
-1.80236780 -1.41039568 -19.30216397
0.00012051 0.00002401 -0.00009319
-0.03462077 0.01430579 -0.02708551
3.28846008 2.14215911 -9.28903376
-0.00013299 -0.00028789 0.00004144
0.01463215 -0.01075787 -0.02353003
-3.79020459 17.95029582 12.23577223
-0.00014668 -0.00013339 0.00030691
0.02726824 -0.01883953 0.00377560
-3.81826616 4.98352465 -11.16285332
-0.00013862 -0.00005963 0.00054788
0.01108505 0.00009613 0.03676135
-8.05269296 3.12168530 -8.99552026
0.00029064 -0.00030749 0.00000162
-0.05759147 -0.02918074 0.03600021
2.11304007 27.36248337 8.53514698
0.00033760 0.00014783 0.00016948
0.00911445 0.01310632 -0.03421400
9.92822217 -6.19039380 -1.93365471
-0.00027821 0.00005600 0.00014277
-0.00270277 0.01233203 -0.00895480
-8.77788596 0.71420377 5.94606039
0.00009513 0.00027903 0.00010773
-0.01863749 -0.02435325 0.00577136
20.37989983 10.75077846 8.87126977
-0.00013319 0.00009348 0.00013728
0.01035306 -0.02746096 0.00573426
-2.52096846 -2.13517636 -27.19496053
0.00045119 0.00000633 -0.00005782
-0.00084017 -0.02444774 0.01063707
-14.30413998 6.09421226 7.57310874
-0.00005846 0.00014859 0.00024505
-0.00795153 0.01629910 -0.00091115
-9.72202066 7.24481616 -2.59418928
0.00039063 0.00010216 0.00021630
-0.00837314 0.00492826 -0.01840982
-1.75776677 -15.69643042 23.81515158
0.00000603 0.00039956 -0.00050202
0.07860505 0.01586070 -0.01998879
-2.62316380 6.32302267 -6.35683783
-0.00012987 -0.00002575 0.00017910
0.00827304 0.00164678 0.01242553
-20.13920853 31.08883526 4.43797442
0.00046898 -0.00011713 -0.00039703
-0.02930920 -0.01746515 -0.02551702
7.58971632 0.03256220 8.00495608
0.00007222 0.00010780 -0.00014180
0.00080760 0.01956026 -0.00121567
5.59950830 11.38635312 -13.81970753
0.00030500 0.00028758 0.00038028
-0.03572104 0.00982724 -0.01844387
15.67124030 2.99931530 -1.96345579
-0.00036073 -0.00032489 0.00002722
-0.00374499 -0.02151505 0.00382923
-4.23336235 13.57928484 -1.03110059
-0.00030278 -0.00015412 0.00026974
0.00129549 -0.01196005 -0.00036164
4.57881184 12.54667242 3.23633383
-0.00001201 -0.00040507 -0.00021068
-0.04347119 -0.02525236 -0.00684973
24.87060085 -11.72928885 -9.60731339
0.00025169 0.00013584 -0.00030602
0.03658083 0.00283446 -0.03067322
16.43885061 -3.83960599 -0.42142562
0.00021564 0.00017583 -0.00015137
0.01822995 -0.03231295 -0.01484984
12.94842883 7.92369509 9.97386862
0.00008278 0.00014022 0.00015277
0.00955279 0.00294352 -0.01648775
1.61311943 -13.88274322 17.67021994
-0.00011655 -0.00035583 -0.00007345
0.02893767 0.00123030 0.00567376
-4.33300099 -0.69496310 -14.44613309
0.00019317 -0.00014246 0.00050181
0.01370379 -0.01826935 0.01550275
15.09181090 -7.98036092 -9.00988958
0.00027941 0.00065169 0.00014892
-0.00397916 0.01707201 -0.00212394
8.67073770 -6.76141224 8.64428091
-0.00042998 -0.00043462 0.00031229
0.01354959 0.01308819 -0.01595911
-21.31393608 2.30468531 22.67951856
0.00018063 0.00012593 0.00008605
0.00321663 -0.01581738 0.01416941
25.78905162 -3.20375759 -7.90116477
-0.00016699 -0.00013864 -0.00023006
0.00545588 -0.00971963 0.01441718
9.82858692 -14.13378245 -7.82141642
-0.00005170 -0.00000542 -0.00038398
0.00639625 -0.00459791 -0.00966720
-6.46965502 -12.28231017 16.82162996
-0.00041125 -0.00033398 0.00027800
0.01676618 0.01234225 0.02167598
8.19799554 3.46045619 -29.41352897
-0.00006873 -0.00010685 0.00022282
0.01713438 -0.03798321 0.00668420
10.85263839 15.48562088 15.25426985
-0.00005953 -0.00035598 0.00025335
0.02880997 0.01959923 0.02594381
28.56124049 6.03749034 -3.11401512
0.00015762 -0.00000077 -0.00035880
0.01527825 0.00821066 0.00029806
5.38359309 -31.17442204 -3.27125165
0.00044864 0.00010677 0.00026211
0.00891571 -0.00780410 -0.00567260
3.91125487 -31.70207189 -0.72533313
0.00023983 -0.00018105 0.00024555
0.01001885 0.00231596 0.00606480
-11.66296244 -3.82213236 -8.65141301
-0.00000281 0.00042719 -0.00039358
0.00129813 0.02092145 0.00092575
-12.71263784 -2.03526515 -10.73186948
-0.00002379 0.00057999 0.00012577
0.01643474 0.00799725 0.01808889
-38.97426385 2.11911618 0.93086055
0.00032136 -0.00005865 -0.00049591
-0.00905027 -0.00378950 0.00749163
-37.77070789 4.09634011 -0.92650024
-0.00008117 -0.00081357 0.00043974
-0.00129515 -0.01391017 0.00590459
-10.78061124 -5.72650789 3.61928875
0.00002405 0.00089057 0.00032371
-0.00009676 0.02250954 -0.00307348
-10.34583640 -2.67708318 3.62235293
-0.00061947 0.00008348 0.00002441
-0.00804846 -0.02124780 0.00138678
5.31490696 -2.45913326 8.44363862
-0.00033529 -0.00011481 -0.00080271
-0.01642498 -0.02135861 0.02566319
4.76524941 -3.58042151 11.20306987
0.00044594 -0.00019030 -0.00035905
-0.00863082 0.00173502 -0.01354920
-33.36427213 -1.82939274 -0.78426935
-0.00004004 0.00042633 0.00013776
0.00446858 -0.00413984 0.00089589
-32.67962967 0.54202041 0.51737582
-0.00052191 0.00057482 0.00156720
0.00890114 0.00214675 -0.00812095
14.66507917 12.76835342 -15.71590449
-0.00024161 -0.00039355 -0.00078672
0.00315116 0.00404993 -0.05690185
16.46944645 11.87573138 -13.42728825
-0.00095770 0.00006586 0.00006527
-0.03347816 0.01919403 -0.02193559
-8.63985567 7.01827109 1.35774992
-0.00020050 -0.00015153 0.00073965
-0.00104099 0.00890341 0.00229703
-7.42730465 4.55218307 1.29960477
-0.00046308 0.00097889 0.00111070
0.00565899 0.00942417 0.01198532
6.12106568 12.32338392 -6.79431595
-0.00018872 -0.00021668 -0.00054653
0.00562285 0.00449402 0.00184308
8.82455993 13.58802420 -6.59218513
-0.00028003 0.00002826 -0.00070561
0.01897678 0.01801422 -0.01287712
8.53994103 8.85864545 -20.55758290
-0.00061361 -0.00016905 0.00055512
0.01311367 0.01477753 0.01314071
10.42426377 10.91492257 -19.22659613
-0.00140129 0.00104070 -0.00049108
-0.00969292 -0.01479957 -0.00604301
23.95050435 15.67840036 -2.64514013
-0.00061005 -0.00109805 0.00005384
0.00100357 -0.01075585 -0.00174057
24.92840587 18.28011735 -2.42570253
0.00052235 -0.00066503 0.00012772
-0.01491077 0.00856219 0.00876579
1.50510010 16.81453929 -21.01110880
-0.00076685 -0.00091571 -0.00061747
-0.01207297 0.01279872 -0.04135138
2.72458581 15.12396275 -19.12941641
0.00009663 0.00067551 -0.00003053
0.01678094 0.00463252 0.00405801
12.93267255 -0.82615055 -6.80465580
0.00003590 0.00133301 0.00013123
-0.01455740 -0.00847237 -0.00425152
13.20637887 -1.32094552 -3.78233085
0.00090209 -0.00030781 0.00022063
0.00000594 0.00898242 -0.02228815
-17.37405955 -3.05198025 3.30276018
0.00043589 -0.00021875 -0.00078267
0.01548853 0.03133830 -0.00774116
-14.54748271 -2.58679874 3.53459482
-0.00086510 -0.00026602 0.00055777
-0.00030949 0.00514910 -0.00823757
-16.05812224 -0.27339187 19.90038708
0.00020025 -0.00034934 0.00059051
-0.01662180 -0.00509934 0.00206946
-15.51970924 -3.08503986 19.39456144
0.00061544 -0.00055538 0.00005744
-0.02195030 0.01725780 0.00158578
-0.89501597 0.64665259 -5.23038067
-0.00057370 0.00013540 0.00000873
0.01540231 0.00438857 0.00780701
-0.77444305 3.47718374 -4.93509169
0.00009240 -0.00069597 -0.00040451
-0.00559101 0.01333887 0.00310825
23.27841345 -8.84074103 -9.31511952
-0.00026202 0.00056598 0.00030116
0.00492834 0.01904373 0.00819721
23.61023195 -5.76703109 -8.56327700
0.00002685 -0.00012691 -0.00060794
0.01602288 -0.00800980 0.00052486
0.46638704 -5.83954150 5.87473269
-0.00024977 0.00014046 0.00015121
0.00509313 -0.00511187 -0.01663360
-0.11713150 -5.13218282 8.46294248
0.00082952 -0.00035115 -0.00009106
-0.00310810 -0.01296235 0.00749823
-1.07516067 -2.92771696 -18.81165053
0.00022597 0.00050283 -0.00022708
0.02887729 -0.03432633 0.01867586
-3.05289045 -2.12468080 -20.51183936
0.00054078 0.00051792 -0.00011064
0.00132369 0.01757422 0.00824651
2.70935405 2.24986431 -11.03614942
-0.00052990 -0.00030951 -0.00068618
0.00523462 0.00626655 0.00830237
1.96740001 2.72997463 -8.21361352
0.00039441 0.00060712 0.00052733
-0.01374654 0.00114700 0.01733156
-2.34279997 16.66761711 12.61862431
-0.00021667 -0.00041764 -0.00058441
-0.02196470 0.02372006 -0.00666805
-3.47455641 19.37797241 13.36515912
-0.00019320 -0.00064327 -0.00059083
-0.00182976 -0.01225741 0.00181444
-4.49439028 6.22582606 -12.19624619
-0.00089267 0.00047617 -0.00021666
-0.02089042 0.03561925 -0.02060035
-3.15595182 3.79356712 -12.26300175
-0.00066242 0.00016208 -0.00131729
0.01335963 -0.03701338 -0.02481157
-7.84654708 2.17096478 -7.40881180
-0.00043472 -0.00028518 0.00005236
0.00161297 0.01144015 -0.01703011
-6.45658259 3.62111440 -9.43178291
-0.00013602 -0.00042216 0.00007046
0.05264465 0.01736922 -0.01615861
2.16232616 28.34876341 6.90913669
0.00076486 0.00002804 0.00038280
0.00585181 -0.01816974 0.02251687
0.46988084 27.77237138 9.10065984
0.00080081 0.00063853 0.00007834
-0.01783060 0.00392332 0.01095453
10.72477792 -7.20673005 -0.66879329
-0.00025261 -0.00122115 -0.00024073
0.01091104 -0.00587462 0.01494908
8.75628594 -7.33354410 -2.71657886
-0.00015975 0.00018133 -0.00051947
-0.00676128 -0.00514349 -0.00289007
-7.03404094 0.31227850 6.28812974
0.00016456 0.00059827 -0.00012337
0.02146427 0.00448852 0.00141958
-9.40831046 -0.78783399 6.84252373
-0.00008412 -0.00067281 0.00029900
-0.01050046 0.01870061 -0.00491601
21.74599168 10.08134424 9.96319339
0.00015008 -0.00048857 -0.00055419
-0.01414451 0.01452557 -0.00679689
20.91835290 12.38240073 8.28743307
0.00054862 0.00039554 -0.00081199
0.00514180 0.01818571 0.00132481
-1.52433315 -3.55909519 -26.34796218
-0.00027615 -0.00041090 -0.00066108
-0.01982487 0.03115835 -0.01066463
-4.32039996 -2.20130683 -26.67557432
0.00136827 0.00011525 -0.00067810
0.02345525 -0.00225641 -0.00219385
-14.26561304 7.26198559 8.98660420
0.00044191 0.00007657 0.00023332
0.00494227 -0.00877748 0.00433715
-15.12520286 7.26595610 6.40371578
-0.00078877 -0.00024044 0.00082691
0.00667574 -0.01134281 -0.00390060
-11.22461019 6.87698556 -3.61345370
0.00021731 0.00111370 0.00032380
0.01121106 0.00687889 0.01058920
-8.70203425 8.36332912 -3.73761824
-0.00025669 0.00004863 -0.00034775
-0.00672491 -0.01344232 0.01301195
-1.21879379 -17.41556661 23.47032708
-0.00053117 -0.00007688 -0.00001728
0.00690647 -0.00711246 -0.00482741
-3.36318282 -15.74894548 24.36137674
-0.00045505 -0.00055060 -0.00035982
-0.08082132 -0.00050350 0.02443639
-2.78749085 5.75561874 -8.06079411
0.00099346 0.00081594 0.00009831
-0.00027574 -0.00429762 -0.01552636
-3.77295522 7.72811700 -6.25593696
-0.00003065 -0.00094500 -0.00029207
-0.01428888 0.00526299 0.00573760
-21.18790605 30.57257756 2.89252009
-0.00020852 -0.00011007 -0.00021771
0.00541255 -0.00425634 0.03037500
-21.31411878 32.07043360 5.46314310
-0.00050159 -0.00068272 0.00077930
-0.00192122 -0.00566803 -0.00103830
7.04919660 -0.03526194 6.26103171
0.00000684 0.00066172 -0.00096610
-0.00346721 -0.01647562 -0.01792949
7.44038607 1.85441827 8.16269180
0.00042648 0.00004338 -0.00132763
0.00112105 0.00200510 0.01423204
6.81551682 12.78808155 -13.80089839
0.00073350 -0.00013422 -0.00101353
0.00650260 0.00237189 0.00012296
4.27322390 12.05316939 -15.05815783
-0.00099525 -0.00017259 -0.00037445
0.03494035 -0.01499672 0.02812409
14.48877066 3.85269342 -3.08029882
0.00014324 -0.00039295 -0.00030093
0.00300213 0.00136845 0.00780638
15.14333008 1.19991214 -1.92379644
-0.00020069 -0.00084874 0.00023578
0.00861835 0.02844546 -0.00277910
-2.48960542 13.46826968 -0.47562058
-0.00039858 -0.00035287 0.00037797
-0.01058110 -0.00377546 0.00104636
-5.37961965 12.89627814 0.29884524
0.00055923 -0.00027213 0.00057656
0.01072500 0.00790149 -0.00577623
3.74423470 10.70747376 3.50798499
0.00025558 -0.00014064 -0.00011684
0.01633563 0.04255788 -0.00048202
6.32257864 12.25331704 3.49189447
0.00040650 -0.00042285 -0.00059661
0.02760345 -0.00572944 -0.00056299
25.28785138 -13.16976232 -8.57205986
-0.00028832 0.00082397 0.00069955
-0.00576809 -0.00007791 0.00419351
26.31355920 -11.55113133 -10.93731063
0.00050230 0.00030375 -0.00024115
-0.03155068 -0.00196610 0.01781291
14.72151422 -4.11408845 -0.94860492
-0.00037719 -0.00003376 0.00009608
-0.00066812 0.00751020 0.00722581
17.18571655 -5.56415660 -0.87531410
-0.00017954 0.00035130 0.00014780
-0.00869171 0.02730298 0.01182217
12.13335570 7.96233675 11.61471224
0.00036224 -0.00031143 0.00147626
-0.00343509 0.00682397 0.00118593
13.11428882 9.61966035 9.20607119
0.00093408 0.00015593 0.00026658
-0.00237561 -0.00736826 0.01466648
-0.04913921 -14.38224641 17.12149021
-0.00018807 0.00045961 0.00035841
-0.01242610 -0.00187864 -0.00385297
1.64725714 -12.16793191 18.26895457
-0.00071120 0.00034622 0.00019587
-0.00533887 0.00065557 -0.00229517
-3.93206203 -2.33051177 -13.54660455
0.00045551 0.00000189 -0.00032077
-0.00762929 0.02843658 -0.01426335
-3.19699612 -0.51591168 -15.87854842
0.00048968 -0.00010711 -0.00098484
0.00062498 -0.01008316 -0.00089923
14.07639299 -8.12800614 -10.54847065
-0.00119014 -0.00039913 0.00027431
0.01611793 -0.00006223 -0.00330745
16.18578442 -6.39593517 -9.22401844
0.00034870 -0.00076039 -0.00010669
-0.01171856 -0.01774375 -0.00135977
7.25407046 -5.75496166 9.28308460
0.00038836 0.00015029 -0.00079599
-0.00346364 0.00104536 -0.00735023
9.34705191 -5.74409598 7.20441159
-0.00039292 -0.00072168 0.00060495
-0.00950392 -0.01511570 0.02028530
-21.18933278 2.00284845 20.90915071
-0.00111354 -0.00067648 0.00078749
0.00134735 0.00713281 -0.02539277
-21.76547848 0.59564053 23.24778490
-0.00026644 0.00000062 0.00053413
-0.00408725 0.01203625 0.00968122
26.49115764 -2.96610683 -6.20693420
0.00043660 -0.00031472 -0.00062041
-0.00025318 0.00014132 -0.00488074
25.15158836 -1.54483137 -8.23249806
-0.00015138 -0.00009207 -0.00046004
-0.00423849 0.01757465 -0.00737398
9.01835371 -15.78241372 -7.60930269
0.00065291 0.00053164 -0.00022924
0.00973620 0.00284738 -0.00257543
8.72853696 -12.88224142 -7.13469360
0.00050053 0.00026191 0.00023762
-0.00420338 0.01022408 0.00815726
-5.65369803 -11.06620199 18.01486920
-0.00076690 -0.00049656 -0.00020723
-0.01227195 -0.01198945 -0.01777190
-7.34663927 -11.29745495 15.56944386
-0.00010515 -0.00046698 0.00038826
0.00468887 0.00905252 -0.00525052
8.95601560 1.72999316 -29.43084395
-0.00182610 -0.00031797 0.00006108
-0.00365437 0.02656789 -0.00043144
6.79799541 3.22137302 -30.52308750
-0.00076910 -0.00018562 0.00033561
-0.02405065 -0.00249263 -0.00971491
12.56875121 15.01835834 14.49047671
-0.00041923 0.00090424 -0.00072218
-0.00834745 0.00404519 0.01131076
11.17971152 16.00220919 17.10875306
-0.00057858 -0.00023114 0.00058850
-0.00507203 -0.01107559 -0.04099595
29.24539385 4.96422982 -4.43873546
0.00087821 -0.00023705 0.00062116
-0.00217413 -0.00273023 -0.00183584
26.90757431 6.50245360 -3.66880574
-0.00023160 0.00003540 -0.00025566
-0.01936194 0.00673359 -0.00302920
-9.95508162 4.88206509 6.85974826
0.00003706 -0.00009981 -0.00022780
-0.00067025 0.00214488 -0.00415878
-8.68231957 13.27121120 2.59339018
-0.00004841 0.00007417 0.00001451
-0.00266958 -0.00062344 -0.00439495
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09532486
0.30185689
402.20917403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3608919967 (a.u.)
total exchange computation time: 2.6789579391 s
-154.0372626462
-931.39848885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3607039370 (a.u.)
total exchange computation time: 2.6807990074 s
-154.0400720146
Anderson extrapolation: theta=1.3531678466 (1.3531678466)
-931.39870991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3603614071 (a.u.)
total exchange computation time: 2.6812491417 s
-154.0448163733
Anderson extrapolation: theta=0.0532571531 (0.0532571531)
-931.39884398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3602735468 (a.u.)
total exchange computation time: 2.6788709164 s
-154.0458378423
Anderson extrapolation: theta=1.9720341393 (1.9720341393)
-931.39884940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3600833563 (a.u.)
total exchange computation time: 2.6827511787 s
-154.0479898202
Anderson extrapolation: theta=0.2253259074 (0.2253259074)
-931.39885541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3600400970 (a.u.)
total exchange computation time: 2.6796569824 s
-154.0484494600
Anderson extrapolation: theta=1.8701175119 (1.8701175119)
-931.39885664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3599819373 (a.u.)
total exchange computation time: 2.6792948246 s
-154.0490590071
Anderson extrapolation: theta=0.2807268297 (0.2807268297)
-931.39885823
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3599870946 (a.u.)
total exchange computation time: 2.6791679859 s
-154.0489992205
Anderson extrapolation: theta=1.3058214635 (1.3058214635)
-931.39885862
-115.781630 22.719491 142.979314
559.207583 1031.406159 -412.690853
443.425953 1054.125650 -269.711539
1174.968840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3600078718 (a.u.)
total exchange computation time: 2.6799778938 s
678.67563231
-1083.21117674
89.87760618
-389.55224392
-174.82866890
77.99211525
551.60419304
0.00000000
-931.39885894
3.92532888 -30.74015143 -2.27613952
0.00001919 -0.00003037 -0.00003492
-0.00633310 -0.01732727 0.00294476
-11.65515524 -1.99199401 -9.18233262
0.00030143 0.00032982 -0.00008425
-0.02227904 -0.02200751 -0.01812320
-37.47073154 2.47786274 0.00799626
-0.00011472 0.00009766 0.00019658
0.01913090 0.00122400 -0.01038206
-11.61938294 -4.03569495 3.82752771
-0.00014507 -0.00025041 -0.00001585
0.01306577 0.00172016 0.00638509
4.44699798 -3.89747724 9.37862234
-0.00038553 -0.00010010 -0.00023503
0.01968509 0.02222693 -0.00903129
-31.90468633 -0.72529905 -0.57070505
-0.00016586 0.00049225 0.00017414
-0.03636558 0.00326952 0.01855393
14.77342079 12.61346972 -13.98178981
-0.00042100 -0.00000622 0.00043599
0.02833110 -0.02392321 0.06798621
-7.69852726 5.96668766 2.51916759
0.00001059 0.00011140 -0.00005204
-0.00143750 -0.01508883 -0.00567056
7.56965786 12.60862026 -5.69751983
0.00020387 0.00001813 -0.00021993
-0.04627896 -0.03379433 0.00919158
8.88541535 9.84981297 -19.01939573
-0.00000781 0.00007670 0.00005177
-0.00252191 -0.00555092 -0.00752016
23.35552608 17.32267378 -2.13293341
0.00010602 0.00003468 -0.00006988
-0.00848937 0.01384346 -0.00861507
2.27655667 16.90497754 -19.42103970
0.00001379 -0.00009569 -0.00035297
-0.00154735 -0.00600732 0.03848293
14.02631694 -1.31615079 -5.45534962
-0.00016373 0.00028193 -0.00030423
0.01647406 -0.00591814 0.02004441
-16.08733124 -1.60089202 3.19307272
0.00010091 0.00054124 -0.00008933
-0.02092108 -0.03992815 0.01576017
-16.91424339 -1.82463058 19.23303630
0.00025127 -0.00019052 -0.00047072
0.04726787 -0.01547706 0.00150690
0.35983824 2.06313553 -5.03007598
0.00021551 -0.00009038 0.00021211
-0.01249576 -0.01874506 -0.00601252
22.51785549 -7.18363941 -8.92415945
0.00038688 -0.00001415 0.00012217
-0.02767782 -0.00386837 -0.00271299
-0.57027706 -6.43406168 7.24522816
-0.00024686 0.00004383 0.00000241
0.00012308 0.01232004 0.00865885
-1.80069369 -1.40998030 -19.30366632
0.00010289 0.00003239 -0.00010680
-0.03389371 0.01828661 -0.02582505
3.28652167 2.13779930 -9.28850296
-0.00012615 -0.00029324 0.00002833
0.01196693 -0.01004793 -0.02745018
-3.79229959 17.94822231 12.24039050
-0.00013294 -0.00014443 0.00030757
0.02614955 -0.02409845 -0.00120306
-3.82030269 4.98263062 -11.15449337
-0.00013314 -0.00005900 0.00056332
0.01021906 0.00236089 0.02327631
-8.04855545 3.11696033 -8.99535705
0.00026003 -0.00032263 0.00002016
-0.06144853 -0.02967356 0.03608361
2.11813926 27.36475140 8.53755718
0.00034290 0.00015420 0.00015200
0.01149790 0.01166432 -0.03373788
9.92403853 -6.18950624 -1.93154765
-0.00027935 0.00006151 0.00013877
-0.00173117 0.00907984 -0.00662563
-8.77653087 0.71829534 5.94769858
0.00008501 0.00026533 0.00011133
-0.02071477 -0.02892401 0.00821517
20.37794190 10.75207469 8.87335110
-0.00012744 0.00008072 0.00013955
0.01201786 -0.02213280 0.00308367
-2.51420385 -2.13517568 -27.19578678
0.00045213 -0.00000591 -0.00005304
0.00449947 -0.02317322 0.00796187
-14.30504760 6.09650404 7.57678102
-0.00006232 0.00015654 0.00024484
-0.00702878 0.01459796 0.00006621
-9.71619356 7.24636761 -2.59101578
0.00038628 0.00010479 0.00020680
-0.00851353 0.00529946 -0.01854797
-1.75737317 -15.69037576 23.80754421
0.00004432 0.00040715 -0.00051163
0.07030271 0.01365001 -0.01740339
-2.62508000 6.32264281 -6.35410346
-0.00012471 -0.00002587 0.00018575
0.01178979 -0.00210951 0.01344155
-20.13228694 31.08701088 4.43192056
0.00045246 -0.00012546 -0.00040917
-0.03490164 -0.01489805 -0.02168781
7.59080277 0.03425471 8.00282438
0.00007220 0.00011755 -0.00014413
-0.00090113 0.01832229 -0.00785354
5.60394555 11.39070467 -13.81407444
0.00028550 0.00029274 0.00036984
-0.04012445 0.01023427 -0.02217513
15.66581491 2.99435898 -1.96303268
-0.00036245 -0.00033666 0.00002943
-0.00295173 -0.02424334 0.00474469
-4.23789908 13.57692696 -1.02705591
-0.00030185 -0.00016020 0.00026946
0.00234598 -0.01169468 -0.00073681
4.57846404 12.54049892 3.23314721
-0.00003321 -0.00041773 -0.00021410
-0.03897993 -0.02397412 -0.00646057
24.87451735 -11.72724038 -9.61202205
0.00027030 0.00013754 -0.00032184
0.03579423 0.00379865 -0.03081920
16.44215559 -3.83709322 -0.42375347
0.00022375 0.00015953 -0.00015915
0.01329689 -0.03104975 -0.01539049
12.94970744 7.92580969 9.97609661
0.00008695 0.00014153 0.00014593
0.00664487 0.00217217 -0.01011380
1.61148287 -13.88807585 17.66914014
-0.00010138 -0.00035344 -0.00006991
0.03002254 0.00802816 0.00808054
-4.33005055 -0.69717041 -14.43854620
0.00020160 -0.00015093 0.00050736
0.01906108 -0.01468324 0.00610413
15.09598676 -7.97051977 -9.00766402
0.00027572 0.00065885 0.00014700
-0.01038379 0.01078657 -0.00532330
8.66434029 -6.76788112 8.64890364
-0.00042232 -0.00042852 0.00030398
0.01621470 0.01066535 -0.01634211
-21.31121421 2.30651327 22.68086397
0.00018199 0.00011734 0.00009476
0.00205981 -0.01758622 0.01969701
25.78656786 -3.20587461 -7.90456006
-0.00016427 -0.00014351 -0.00022304
0.00508998 -0.00925247 0.01289908
9.82783615 -14.13388143 -7.82721347
-0.00004783 -0.00000642 -0.00038903
0.00863999 0.00068234 -0.00994484
-6.47575905 -12.28727219 16.82588363
-0.00040280 -0.00032834 0.00028879
0.01607820 0.00956410 0.02028436
8.19703070 3.45870690 -29.41016096
-0.00006125 -0.00012595 0.00022543
0.01195605 -0.03626841 0.00347911
10.85185660 15.48035683 15.25817016
-0.00004507 -0.00034561 0.00026670
0.02740953 0.02072421 0.02599195
28.56366370 6.03751047 -3.11939594
0.00016465 0.00000402 -0.00035818
0.01207289 0.01042289 0.00209951
5.39059592 -31.17305959 -3.26749375
0.00048254 0.00007567 0.00023959
0.00767739 -0.00742295 -0.00535200
3.91515928 -31.70471665 -0.72146402
0.00028038 -0.00016892 0.00026660
0.00983153 0.00362225 0.00423923
-11.66296485 -3.81508338 -8.65728832
0.00000282 0.00051103 -0.00038876
0.00145681 0.02012027 0.00143232
-12.71249107 -2.02632031 -10.72942870
0.00004317 0.00061285 0.00019911
0.01634433 0.00809081 0.01781592
-38.96972079 2.11812029 0.92365149
0.00027464 -0.00007655 -0.00045925
-0.01381788 -0.00497262 0.01045269
-37.77196513 4.08371035 -0.91972324
-0.00008765 -0.00086104 0.00045862
-0.00187857 -0.00932594 0.00333874
-10.78025351 -5.71245958 3.62405029
0.00002803 0.00097205 0.00030990
0.00204693 0.01737429 -0.00368654
-10.35537508 -2.67648209 3.62276158
-0.00065137 -0.00000215 0.00002986
-0.00756831 -0.02066650 0.00128204
5.30937425 -2.46150996 8.43238432
-0.00040361 -0.00020362 -0.00069615
-0.01701474 -0.02211429 0.02650172
4.77167409 -3.58322287 11.19726897
0.00041021 -0.00018296 -0.00041389
-0.00885903 0.00186060 -0.01329686
-33.36473585 -1.82312466 -0.78217552
-0.00002259 0.00040935 0.00014117
0.00407450 -0.00417382 0.00077485
-32.68718561 0.55070844 0.54063499
-0.00047964 0.00057353 0.00152482
0.01179218 -0.00277601 -0.01262469
14.66155163 12.76257422 -15.72944888
-0.00022801 -0.00037927 -0.00099395
0.00350605 0.00294304 -0.04454048
16.45405511 11.87730737 -13.42698133
-0.00108759 0.00014169 -0.00002130
-0.03010343 0.01792704 -0.02044488
-8.64289505 7.01627099 1.36891510
-0.00020883 -0.00010976 0.00074391
-0.00303631 0.01154337 -0.00021501
-7.43407748 4.56715525 1.31663253
-0.00043702 0.00100290 0.00114776
0.00710004 0.00232707 0.00615772
6.11840713 12.32027137 -6.80245745
-0.00016023 -0.00019738 -0.00053381
0.00832513 0.00495399 0.00438596
8.82094101 13.58900018 -6.60316392
-0.00020153 0.00010219 -0.00075797
0.01944736 0.01817244 -0.01274972
8.53113876 8.85656248 -20.54885341
-0.00055997 -0.00010961 0.00060595
0.01314368 0.01432216 0.01173849
10.40294739 10.93007955 -19.23414747
-0.00143464 0.00098289 -0.00051684
-0.00663327 -0.01350025 -0.00656947
23.94138442 15.66160008 -2.64438580
-0.00060834 -0.00113029 0.00004954
-0.00016745 -0.00502873 -0.00036770
24.93578420 18.27040421 -2.42351811
0.00046210 -0.00063040 0.00016281
-0.01458072 0.00839016 0.00841190
1.49322745 16.80119588 -21.02163799
-0.00081077 -0.00086251 -0.00077590
-0.00942709 0.01324148 -0.03620304
2.72654944 15.13423742 -19.12975008
0.00016680 0.00068595 -0.00001252
0.01756933 0.00047737 0.00475831
12.93276493 -0.80641509 -6.80281757
-0.00002590 0.00129868 0.00011346
-0.01569140 -0.00833106 -0.00444704
13.21991046 -1.32528735 -3.77970434
0.00090058 -0.00027032 0.00012863
-0.00074854 0.00936550 -0.02274872
-17.36704652 -3.05430113 3.29078286
0.00049774 -0.00008753 -0.00081427
0.01478665 0.03289292 -0.00772422
-14.56046864 -2.59063123 3.54270891
-0.00086114 -0.00024493 0.00052447
0.00224480 0.00517234 -0.00806012
-16.05562783 -0.27878819 19.90930816
0.00013127 -0.00037218 0.00059715
-0.01714547 -0.00608383 0.00117873
-15.51115032 -3.09284170 19.39547167
0.00052120 -0.00048074 0.00006287
-0.02417961 0.01927851 0.00107130
-0.90314954 0.64881814 -5.23001047
-0.00050647 0.00015424 0.00004081
0.01750674 0.00483215 0.00789576
-0.77322834 3.46715290 -4.94106405
0.00006656 -0.00063478 -0.00039097
-0.00705821 0.01661402 0.00351648
23.27463419 -8.83166782 -9.31035099
-0.00023673 0.00063394 0.00033181
0.00744883 0.01422550 0.00680959
23.61112572 -5.76918018 -8.57238005
0.00009646 -0.00015459 -0.00060431
0.01804846 -0.00554192 0.00125091
0.46279654 -5.83759125 5.87649114
-0.00022872 0.00011908 0.00008165
0.00521411 -0.00535171 -0.01741771
-0.10478393 -5.13784724 8.46180628
0.00081659 -0.00040322 -0.00005847
-0.00321998 -0.01252666 0.00845816
-1.07088622 -2.92122638 -18.81448445
0.00034647 0.00035722 -0.00014939
0.03010889 -0.03695086 0.01935261
-3.04473821 -2.11637346 -20.51324622
0.00054211 0.00058686 -0.00008066
-0.00067317 0.01617299 0.00642943
2.70156595 2.24541372 -11.04618768
-0.00050541 -0.00028405 -0.00064090
0.00675179 0.00619697 0.01386156
1.97289489 2.73911658 -8.20517254
0.00034074 0.00061026 0.00059482
-0.01252604 0.00038978 0.01570965
-2.34672311 16.66207935 12.60965387
-0.00030586 -0.00031970 -0.00061011
-0.02169385 0.02422041 -0.00591538
-3.47751049 19.36794773 13.35635220
-0.00019774 -0.00068281 -0.00057504
-0.00039373 -0.00709762 0.00591518
-4.50842043 6.23406005 -12.20012739
-0.00096961 0.00060581 -0.00028554
-0.01677350 0.02784260 -0.01311551
-3.16547880 3.79486416 -12.28352137
-0.00061420 0.00002237 -0.00140672
0.01024431 -0.03137927 -0.01896431
-7.85301840 2.16703761 -7.40854831
-0.00042673 -0.00023836 -0.00001653
0.00229814 0.01148007 -0.01669113
-6.45700966 3.61531424 -9.43122120
0.00008568 -0.00034972 0.00000353
0.05587619 0.01809153 -0.01660335
2.17397832 28.34862728 6.91556865
0.00078872 -0.00004467 0.00047167
0.00582964 -0.01742324 0.02098393
0.48134661 27.78206960 9.10217067
0.00072296 0.00065573 0.00012510
-0.02027714 0.00449678 0.01193387
10.72132318 -7.22522727 -0.67194617
-0.00021103 -0.00124018 -0.00018503
0.00944235 -0.00344097 0.01231513
8.75368255 -7.33098177 -2.72445950
-0.00018631 0.00016193 -0.00053072
-0.00624384 -0.00435030 -0.00261812
-7.03091476 0.32139010 6.28632272
0.00025125 0.00061565 -0.00011699
0.02096832 0.00401769 0.00170497
-9.40989397 -0.79735307 6.84685815
-0.00012157 -0.00058653 0.00027336
-0.00783420 0.02353329 -0.00763656
21.74780947 10.07446077 9.95467231
0.00009209 -0.00042846 -0.00058185
-0.01424145 0.01489745 -0.00674319
20.92673979 12.38889107 8.27529383
0.00056588 0.00045836 -0.00080199
0.00330718 0.01256427 0.00356876
-1.52908286 -3.56430387 -26.35820512
-0.00035405 -0.00028555 -0.00070287
-0.01830699 0.03019956 -0.00979264
-4.29915718 -2.19964717 -26.68581307
0.00144946 0.00010575 -0.00068314
0.01629010 -0.00239704 -0.00027482
-14.25883300 7.26286515 8.99023687
0.00046236 0.00004121 0.00025162
0.00507193 -0.00852970 0.00461999
-15.13682982 7.26200188 6.41599997
-0.00076344 -0.00028400 0.00080837
0.00572289 -0.00997943 -0.00517910
-11.22100695 6.89390183 -3.60827215
0.00026026 0.00113960 0.00036691
0.00981260 0.00580086 0.01051228
-8.70609063 8.36364666 -3.74243570
-0.00028166 -0.00000546 -0.00029364
-0.00550134 -0.01303360 0.01347573
-1.22654977 -17.41693781 23.46991990
-0.00050160 -0.00010258 -0.00003718
0.00756967 -0.00546593 -0.00491265
-3.37248523 -15.75721984 24.35672822
-0.00076957 -0.00055109 -0.00026509
-0.07313543 0.00026262 0.02193592
-2.77259740 5.76772608 -8.05979524
0.00099259 0.00079619 0.00003100
-0.00015107 -0.00536699 -0.01742178
-3.77385288 7.71410324 -6.26014222
-0.00009657 -0.00091399 -0.00026695
-0.01797902 0.00991775 0.00656212
-21.19086797 30.57079615 2.89018530
-0.00018484 -0.00012714 -0.00009293
0.00618039 -0.00409931 0.03070174
-21.32170144 32.06001917 5.47480077
-0.00050027 -0.00071265 0.00076711
0.00256695 -0.00898541 -0.00492778
7.04919297 -0.02584101 6.24599074
-0.00000420 0.00059266 -0.00102801
-0.00193784 -0.01733183 -0.01237526
7.44681769 1.85513044 8.14321339
0.00043114 0.00005546 -0.00126675
0.00116004 0.00390824 0.01557350
6.82671859 12.78614098 -13.81609755
0.00075911 -0.00012347 -0.00101266
0.00603412 0.00288666 0.00030292
4.25936576 12.05012101 -15.06291283
-0.00084322 -0.00023620 -0.00025225
0.03948349 -0.01613983 0.03169481
14.49101120 3.84684111 -3.08457359
0.00015371 -0.00038717 -0.00027040
0.00212591 0.00145828 0.00713846
15.14058379 1.18805272 -1.92034491
-0.00016472 -0.00072664 0.00022383
0.00898812 0.03132337 -0.00307144
-2.49590836 13.46286094 -0.46991890
-0.00044020 -0.00036785 0.00038152
-0.00979022 -0.00355798 0.00068961
-5.37090261 12.89243830 0.30731659
0.00059962 -0.00024081 0.00055418
0.00904982 0.00742862 -0.00517525
3.74856892 10.70666827 3.50621755
0.00032092 0.00003116 -0.00011883
0.01564884 0.04154013 -0.00049227
6.32952207 12.24679877 3.48292805
0.00051184 -0.00044543 -0.00059980
0.02395641 -0.00532497 -0.00099627
25.28334984 -13.15740514 -8.56143807
-0.00031055 0.00082242 0.00071644
-0.00511410 -0.00068083 0.00407197
26.32012696 -11.54663530 -10.94038204
0.00037357 0.00029475 -0.00016752
-0.03146337 -0.00244072 0.01823025
14.71583590 -4.11436468 -0.94694236
-0.00037208 -0.00000190 0.00012799
0.00316963 0.00808653 0.00839728
17.18275716 -5.55805049 -0.87273489
-0.00021310 0.00045914 0.00019492
-0.00773596 0.02548509 0.01124680
12.13868398 7.95787445 11.63689253
0.00035464 -0.00028275 0.00146680
-0.00028148 0.00721383 -0.00581740
13.12822721 9.62177347 9.21051938
0.00092333 0.00012628 0.00032731
-0.00288638 -0.00714423 0.01506088
-0.05234099 -14.37540981 17.12674822
-0.00024219 0.00044920 0.00034129
-0.01406578 -0.00321911 -0.00452411
1.63642558 -12.16271855 18.27182229
-0.00073143 0.00033796 0.00018308
-0.00456380 -0.00469716 -0.00396343
-3.92546313 -2.32961206 -13.55185321
0.00042519 0.00011277 -0.00037567
-0.00721130 0.02584042 -0.01261127
-3.18963184 -0.51782729 -15.89334854
0.00048027 -0.00015001 -0.00097342
-0.00522681 -0.01091764 0.00648674
14.05903476 -8.13399500 -10.54445735
-0.00111626 -0.00039685 0.00026914
0.02005028 0.00117754 0.00077892
16.19065587 -6.40788482 -9.22566054
0.00030496 -0.00082348 -0.00011460
-0.00969293 -0.01313508 -0.00251086
7.25978970 -5.75267526 9.27091952
0.00036613 0.00015781 -0.00082075
-0.00741975 0.00263704 -0.00477193
9.34086693 -5.75538439 7.21410747
-0.00042828 -0.00078165 0.00068324
-0.00780440 -0.01424042 0.01803527
-21.20599463 1.99291979 20.92018494
-0.00110706 -0.00064802 0.00067293
0.00182603 0.00680005 -0.03068468
-21.76960040 0.59601862 23.25609344
-0.00028167 0.00005406 0.00057326
-0.00336700 0.01412536 0.00947404
26.49769894 -2.97082333 -6.21638992
0.00043562 -0.00031328 -0.00063859
-0.00023073 0.00056416 -0.00401945
25.14918784 -1.54567393 -8.23962467
-0.00016775 -0.00002192 -0.00048902
-0.00377744 0.01676788 -0.00681131
9.02844576 -15.77435193 -7.61282019
0.00068698 0.00053399 -0.00023810
0.00694133 -0.00169508 -0.00176237
8.73591605 -12.87799942 -7.13087938
0.00048420 0.00030187 0.00027027
-0.00379026 0.00933415 0.00782667
-5.66557764 -11.07401780 18.01121614
-0.00081337 -0.00054117 -0.00027450
-0.01047368 -0.00984884 -0.01515779
-7.34807286 -11.30418223 15.57510682
-0.00008837 -0.00042798 0.00036351
0.00352399 0.01003554 -0.00686500
8.92851219 1.72603771 -29.42994098
-0.00183589 -0.00021578 0.00006047
-0.00113894 0.02345710 0.00013169
6.78572187 3.21851232 -30.51835099
-0.00086133 -0.00019279 0.00030117
-0.02109543 -0.00101490 -0.00714624
12.56220692 15.03204597 14.47999057
-0.00045112 0.00092018 -0.00067370
-0.00725882 0.00375628 0.01241962
11.17087736 15.99840276 17.11632430
-0.00059766 -0.00027703 0.00041901
-0.00426500 -0.01138748 -0.04197226
29.25850032 4.96059034 -4.42947436
0.00086897 -0.00024998 0.00060958
-0.00234751 -0.00359536 -0.00382963
26.90350707 6.50319099 -3.67273349
-0.00030395 0.00006008 -0.00026749
-0.01605655 0.00534356 -0.00276093
-9.95452753 4.88057375 6.85632010
0.00003680 -0.00009897 -0.00022922
-0.00080203 0.00252726 -0.00378173
-8.68305036 13.27232271 2.59360013
-0.00004903 0.00007402 0.00001351
-0.00268347 -0.00071066 -0.00423746
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09517228
0.30368666
404.64724911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3614425777 (a.u.)
total exchange computation time: 2.6810998917 s
-154.0367753073
-931.40031850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3613148092 (a.u.)
total exchange computation time: 2.6809689999 s
-154.0389117435
Anderson extrapolation: theta=1.3514633200 (1.3514633200)
-931.40052447
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3610347720 (a.u.)
total exchange computation time: 2.6808290482 s
-154.0427699574
Anderson extrapolation: theta=0.0523339928 (0.0523339928)
-931.40064892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3609341826 (a.u.)
total exchange computation time: 2.6806499958 s
-154.0437639800
Anderson extrapolation: theta=1.9593852312 (1.9593852312)
-931.40065380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3607106239 (a.u.)
total exchange computation time: 2.6806979179 s
-154.0458769997
Anderson extrapolation: theta=0.2213832236 (0.2213832236)
-931.40065912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3606534430 (a.u.)
total exchange computation time: 2.6787741184 s
-154.0463473940
Anderson extrapolation: theta=1.8735105498 (1.8735105498)
-931.40066017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3605663270 (a.u.)
total exchange computation time: 2.6777980328 s
-154.0470017719
Anderson extrapolation: theta=0.2780406720 (0.2780406720)
-931.40066151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3605622129 (a.u.)
total exchange computation time: 2.6804201603 s
-154.0469707163
Anderson extrapolation: theta=1.3041892101 (1.3041892101)
-931.40066184
-115.838966 22.742871 142.935155
559.182947 1031.396392 -412.695980
443.343981 1054.139263 -269.760824
1174.961435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1313791239
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3605712740 (a.u.)
total exchange computation time: 2.5604538918 s
678.67334445
-1083.21826176
89.88303567
-389.54891999
-174.82928921
77.99722404
551.60419304
0.00000000
-931.40066212
3.92559235 -30.74067380 -2.27665191
0.00001634 -0.00003978 -0.00003307
-0.00477861 -0.01926919 0.00422549
-11.65071970 -1.98713164 -9.18366629
0.00029001 0.00031878 -0.00009354
-0.02213379 -0.02092317 -0.01798356
-37.47237849 2.47933242 0.01090493
-0.00010362 0.00009735 0.00019133
0.02402547 -0.00242999 -0.01005128
-11.62150860 -4.03944449 3.82731460
-0.00013925 -0.00024827 -0.00001235
0.00957988 0.00659161 0.00722157
4.44129102 -3.89889303 9.37506206
-0.00037534 -0.00008859 -0.00023996
0.01993017 0.02252903 -0.01015977
-31.90731457 -0.71790266 -0.56802133
-0.00018506 0.00049499 0.00018474
-0.03828493 0.00738281 0.02266970
14.76721508 12.61328411 -13.97498769
-0.00040766 -0.00001778 0.00046695
0.02352341 -0.02100394 0.05240944
-7.69837389 5.96830045 2.51836505
0.00000994 0.00010502 -0.00005269
-0.00108609 -0.00973036 0.00317264
7.57253739 12.60876180 -5.70078332
0.00017947 0.00000065 -0.00021586
-0.04860443 -0.03415693 0.00662084
8.88528853 9.85094208 -19.01864822
-0.00000981 0.00007364 0.00004849
-0.00527464 -0.00636027 -0.00520790
23.35708370 17.32324733 -2.13401491
0.00010180 0.00004031 -0.00007454
-0.00793899 0.00805530 -0.00949370
2.27675756 16.90351905 -19.42618586
0.00001199 -0.00009777 -0.00033493
-0.00544422 -0.00207741 0.03169498
14.02392460 -1.31194466 -5.45983570
-0.00015485 0.00027871 -0.00029394
0.01804700 -0.00661973 0.01994855
-16.08589826 -1.59292744 3.19179361
0.00008979 0.00052047 -0.00008133
-0.02232276 -0.04085090 0.01532566
-16.91029197 -1.82754807 19.22598129
0.00027611 -0.00019862 -0.00046960
0.04930824 -0.01604107 0.00285479
0.36302265 2.06170759 -5.02691746
0.00020897 -0.00010076 0.00020894
-0.01293071 -0.02162105 -0.00632762
22.52355186 -7.18386653 -8.92233742
0.00037148 -0.00001539 0.00012095
-0.03220881 -0.00096365 -0.00203275
-0.57397945 -6.43335676 7.24529766
-0.00024672 0.00005010 0.00000670
0.00040554 0.01206171 0.00805070
-1.79928106 -1.40942385 -19.30536790
0.00008596 0.00004240 -0.00011950
-0.03194081 0.02061380 -0.02355986
3.28467558 2.13336197 -9.28818392
-0.00012077 -0.00029816 0.00001350
0.00896655 -0.00909605 -0.03019517
-3.79419284 17.94596288 12.24499948
-0.00011991 -0.00015815 0.00030561
0.02454233 -0.02924049 -0.00644595
-3.82226038 4.98175480 -11.14595384
-0.00012810 -0.00005729 0.00057152
0.00938647 0.00425441 0.00864341
-8.04489199 3.11200643 -8.99491545
0.00022816 -0.00033769 0.00003839
-0.06249046 -0.02890835 0.03479298
2.12332716 27.36710941 8.53970710
0.00034919 0.00015977 0.00013504
0.01296806 0.00998428 -0.03223813
9.91984153 -6.18854863 -1.92949171
-0.00027998 0.00006522 0.00013600
-0.00070873 0.00535014 -0.00413518
-8.77533559 0.72216378 5.94940015
0.00007407 0.00024945 0.00011609
-0.02185369 -0.03285476 0.01031606
20.37607669 10.75320018 8.87545621
-0.00012089 0.00007080 0.00014038
0.01343161 -0.01644244 0.00015947
-2.50740452 -2.13535377 -27.19655162
0.00045593 -0.00001734 -0.00004976
0.01028551 -0.02126390 0.00476930
-14.30600943 6.09890845 7.58045381
-0.00006565 0.00016355 0.00024513
-0.00595335 0.01268234 0.00109489
-9.71043213 7.24795996 -2.58798537
0.00038191 0.00010757 0.00019736
-0.00850115 0.00549282 -0.01816261
-1.75643722 -15.68421580 23.79980259
0.00007747 0.00041351 -0.00051965
0.05862905 0.01108187 -0.01377086
-2.62690525 6.32224667 -6.35126539
-0.00011782 -0.00002789 0.00019276
0.01500984 -0.00576831 0.01384498
-20.12563460 31.08507157 4.42569938
0.00043322 -0.00013252 -0.00041925
-0.03993558 -0.01255483 -0.01752313
7.59188228 0.03608858 8.00063209
0.00007130 0.00012668 -0.00014986
-0.00258960 0.01717825 -0.01442104
5.60807324 11.39513517 -13.80861242
0.00026404 0.00029807 0.00035769
-0.04333203 0.01050803 -0.02504403
15.66036674 2.98921564 -1.96257296
-0.00036369 -0.00034960 0.00003211
-0.00186393 -0.02611134 0.00569632
-4.24241772 13.57447887 -1.02301691
-0.00030040 -0.00016612 0.00026892
0.00328673 -0.01132086 -0.00135653
4.57781553 12.53414046 3.22991075
-0.00005181 -0.00042963 -0.00021733
-0.03334050 -0.02229640 -0.00607263
24.87871000 -11.72516261 -9.61696846
0.00028841 0.00013968 -0.00033755
0.03462988 0.00452687 -0.03029203
16.44556316 -3.83481998 -0.42620005
0.00022932 0.00014407 -0.00016713
0.00833733 -0.02908209 -0.01564309
12.95103731 7.92794104 9.97824657
0.00008968 0.00014238 0.00014231
0.00397079 0.00113582 -0.00396556
1.61007793 -13.89334655 17.66812269
-0.00008583 -0.00034772 -0.00006522
0.03046632 0.01424090 0.01013874
-4.32695306 -0.69949100 -14.43091221
0.00021257 -0.00015740 0.00050816
0.02362206 -0.01047298 -0.00300495
15.10008251 -7.96059539 -9.00547953
0.00026866 0.00066266 0.00014358
-0.01706572 0.00402777 -0.00797154
8.65806797 -6.77426772 8.65340029
-0.00041341 -0.00042375 0.00029565
0.01846343 0.00786644 -0.01604684
-21.30847646 2.30820555 22.68236134
0.00018281 0.00010791 0.00010601
0.00114770 -0.01907720 0.02404902
25.78412337 -3.20806302 -7.90785583
-0.00016182 -0.00014801 -0.00021686
0.00444547 -0.00822853 0.01111776
9.82715204 -14.13397514 -7.83308725
-0.00004285 -0.00000456 -0.00039418
0.01073104 0.00654778 -0.01009871
-6.48173904 -12.29216042 16.83029379
-0.00039483 -0.00032421 0.00029868
0.01492730 0.00651918 0.01817568
8.19615810 3.45667781 -29.40676611
-0.00005660 -0.00014399 0.00022632
0.00611038 -0.03391759 -0.00002088
10.85128627 15.47525265 15.26227098
-0.00003141 -0.00033473 0.00027991
0.02570075 0.02156253 0.02535385
28.56618006 6.03761100 -3.12476057
0.00016993 0.00000996 -0.00035672
0.00843697 0.01268781 0.00359563
5.39806926 -31.17215207 -3.26406386
0.00051081 0.00004628 0.00021869
0.00616056 -0.00695924 -0.00488240
3.91966623 -31.70713942 -0.71733511
0.00032007 -0.00015150 0.00028026
0.00959894 0.00490217 0.00244628
-11.66287798 -3.80680131 -8.66307586
0.00000904 0.00059070 -0.00038174
0.00159025 0.01887795 0.00200282
-12.71134261 -2.01687962 -10.72589605
0.00010893 0.00064604 0.00027013
0.01584196 0.00815752 0.01694836
-38.96602458 2.11681965 0.91708304
0.00020939 -0.00009910 -0.00041115
-0.01812136 -0.00606441 0.01309294
-37.77333751 4.07050904 -0.91274162
-0.00009670 -0.00088882 0.00046642
-0.00254897 -0.00427281 0.00048092
-10.77977032 -5.69734647 3.62858589
0.00004137 0.00103125 0.00029353
0.00448236 0.01160680 -0.00432820
-10.36537758 -2.67714756 3.62324881
-0.00068062 -0.00008441 0.00003477
-0.00675060 -0.01960360 0.00111858
5.30279876 -2.46524195 8.42275420
-0.00047355 -0.00029423 -0.00058718
-0.01722404 -0.02223733 0.02683852
4.77755584 -3.58591020 11.19065317
0.00037366 -0.00017507 -0.00046704
-0.00903640 0.00199847 -0.01272162
-33.36494985 -1.81711238 -0.78003421
-0.00000695 0.00039216 0.00014411
0.00358385 -0.00423768 0.00066268
-32.69401884 0.55922634 0.56312043
-0.00042631 0.00055327 0.00146487
0.01431081 -0.00714032 -0.01672362
14.65823897 12.75697539 -15.74572298
-0.00021309 -0.00036941 -0.00114842
0.00379753 0.00188379 -0.03107393
16.43681886 11.87998205 -13.42792739
-0.00120156 0.00021139 -0.00010097
-0.02568787 0.01618981 -0.01855310
-8.64612052 7.01497834 1.38006711
-0.00022512 -0.00005754 0.00073812
-0.00494058 0.01401732 -0.00261720
-7.44041517 4.58227005 1.33403767
-0.00040493 0.00099636 0.00115971
0.00860849 -0.00552708 -0.00030883
6.11625880 12.31746243 -6.81033015
-0.00012158 -0.00017638 -0.00051133
0.01059576 0.00532650 0.00661600
8.81851394 13.59108988 -6.61492409
-0.00012250 0.00017567 -0.00080869
0.01923993 0.01779923 -0.01208264
8.52314201 8.85535726 -20.53940451
-0.00050662 -0.00005275 0.00065009
0.01296783 0.01350781 0.00987150
10.38122448 10.94440915 -19.24210141
-0.00145516 0.00093090 -0.00054475
-0.00341075 -0.01194927 -0.00709090
23.93225422 15.64449161 -2.64365400
-0.00061113 -0.00113907 0.00005076
-0.00120073 0.00073048 0.00096403
24.94226893 18.26120526 -2.42081815
0.00040363 -0.00059636 0.00019635
-0.01404414 0.00827313 0.00800254
1.48077705 16.78866399 -21.03438592
-0.00084268 -0.00080742 -0.00091128
-0.00619414 0.01372568 -0.03006552
2.72958982 15.14454134 -19.12979213
0.00024011 0.00067930 0.00000823
0.01831714 -0.00373560 0.00539967
12.93189563 -0.78719020 -6.80125188
-0.00009155 0.00126470 0.00009563
-0.01644763 -0.00830031 -0.00428432
13.23339617 -1.32905521 -3.77847201
0.00089565 -0.00023136 0.00003580
-0.00166148 0.00970531 -0.02269194
-17.35912728 -3.05460612 3.27833216
0.00055571 0.00004878 -0.00084565
0.01358720 0.03383235 -0.00763615
-14.57331700 -2.59414674 3.55032901
-0.00084678 -0.00022390 0.00049201
0.00478638 0.00512386 -0.00783316
-16.05418420 -0.28455736 19.91830149
0.00006046 -0.00039862 0.00060027
-0.01751443 -0.00685869 0.00034914
-15.50407328 -3.09946203 19.39644756
0.00041927 -0.00039910 0.00006632
-0.02571394 0.02068302 0.00061613
-0.91021019 0.65127984 -5.22915638
-0.00043128 0.00017433 0.00007313
0.01930317 0.00500214 0.00792741
-0.77244620 3.45814026 -4.94682090
0.00003534 -0.00056121 -0.00037592
-0.00822252 0.01940215 0.00385231
23.27131145 -8.82172279 -9.30516513
-0.00020090 0.00068107 0.00035647
0.01009138 0.00884350 0.00526063
23.61312561 -5.77166891 -8.58140644
0.00017387 -0.00017248 -0.00059786
0.01984493 -0.00321232 0.00190837
0.45952559 -5.83596898 5.87718213
-0.00020766 0.00009654 0.00000970
0.00509265 -0.00568366 -0.01780264
-0.09263370 -5.14427936 8.46118846
0.00080337 -0.00045334 -0.00002197
-0.00325210 -0.01201053 0.00940569
-1.06476652 -2.91700039 -18.81613232
0.00046997 0.00020479 -0.00007044
0.03034218 -0.03766480 0.01929545
-3.03662723 -2.10707494 -20.51425904
0.00053485 0.00064955 -0.00005862
-0.00288180 0.01451495 0.00435906
2.69419163 2.24134291 -11.05537642
-0.00047515 -0.00025877 -0.00057434
0.00806301 0.00617651 0.01872081
1.97762211 2.74828243 -8.19576878
0.00029315 0.00060970 0.00065476
-0.01076599 -0.00066274 0.01362948
-2.35197579 16.65802597 12.60032090
-0.00039314 -0.00022052 -0.00063258
-0.02103091 0.02433154 -0.00508048
-3.48048871 19.35748807 13.34790780
-0.00019628 -0.00070061 -0.00054213
0.00110845 -0.00161492 0.01019733
-4.52347856 6.24400042 -12.20481238
-0.00102904 0.00070282 -0.00032330
-0.01232049 0.01964238 -0.00536935
-3.17437794 3.79423808 -12.30520323
-0.00057945 -0.00009273 -0.00147042
0.00676563 -0.02496002 -0.01221843
-7.85934887 2.16381401 -7.40930776
-0.00041583 -0.00019212 -0.00008282
0.00303603 0.01115661 -0.01575632
-6.45401229 3.61062284 -9.43167704
0.00031467 -0.00027616 -0.00006365
0.05621922 0.01791760 -0.01628160
2.18598775 28.34742334 6.92328665
0.00081249 -0.00011346 0.00055292
0.00580671 -0.01624981 0.01879207
0.49156966 27.79204341 9.10441288
0.00063697 0.00067493 0.00017516
-0.02181390 0.00489976 0.01257037
10.71844712 -7.24393537 -0.67434431
-0.00017594 -0.00124861 -0.00014075
0.00773373 -0.00068500 0.00936329
8.75069650 -7.32868605 -2.73250060
-0.00021037 0.00014610 -0.00054052
-0.00553255 -0.00340127 -0.00217846
-7.02650350 0.33074792 6.28462019
0.00033448 0.00063123 -0.00010961
0.01977182 0.00361046 0.00190715
-9.41195762 -0.80542988 6.85072456
-0.00014864 -0.00048194 0.00023749
-0.00541480 0.02766366 -0.00992235
21.74875446 10.06849032 9.94573795
0.00003514 -0.00036747 -0.00060810
-0.01363975 0.01495959 -0.00610941
20.93532936 12.39615143 8.26337330
0.00057545 0.00049813 -0.00078267
0.00137430 0.00690330 0.00588739
-1.53495454 -3.56766173 -26.36904821
-0.00042490 -0.00016550 -0.00074046
-0.01637680 0.02856891 -0.00860973
-4.27691603 -2.19813441 -26.69606866
0.00149955 0.00009569 -0.00067995
0.00822521 -0.00252619 0.00183775
-14.25174211 7.26322196 8.99415268
0.00048327 0.00000703 0.00027105
0.00516242 -0.00820115 0.00489432
-15.14810604 7.25743607 6.42796675
-0.00074225 -0.00032169 0.00078451
0.00464750 -0.00846955 -0.00649740
-11.21680234 6.91117361 -3.60244635
0.00029670 0.00116094 0.00040922
0.00802379 0.00464624 0.01019888
-8.71048416 8.36316542 -3.74642729
-0.00030119 -0.00005736 -0.00023817
-0.00405569 -0.01237195 0.01367259
-1.23384183 -17.41864400 23.46921165
-0.00046957 -0.00012119 -0.00005730
0.00810920 -0.00364206 -0.00493551
-3.38626982 -15.76547811 24.35342407
-0.00104559 -0.00054803 -0.00018303
-0.06198114 0.00123560 0.01823289
-2.75771321 5.77950450 -8.05986408
0.00099241 0.00077271 -0.00004258
0.00006388 -0.00612870 -0.01859648
-3.77585242 7.70069730 -6.26394532
-0.00017712 -0.00086474 -0.00023862
-0.02144824 0.01418986 0.00730230
-21.19345112 30.56876350 2.88973210
-0.00015853 -0.00014382 0.00003212
0.00669755 -0.00406623 0.03051486
-21.32912679 32.04905406 5.48615645
-0.00048115 -0.00075540 0.00073951
0.00679068 -0.01194230 -0.00858238
7.04907059 -0.01748228 6.23019133
-0.00000904 0.00052030 -0.00106695
-0.00043240 -0.01808531 -0.00668520
7.45332039 1.85608212 8.12468942
0.00043596 0.00007491 -0.00120076
0.00119529 0.00561201 0.01672658
6.83829017 12.78437733 -13.83127815
0.00078233 -0.00011128 -0.00101099
0.00533327 0.00308409 0.00051254
4.24792742 12.04608348 -15.06572537
-0.00067467 -0.00030354 -0.00011725
0.04302196 -0.01682690 0.03438952
14.49338203 3.84107817 -3.08841087
0.00016053 -0.00038092 -0.00024275
0.00120913 0.00160288 0.00639968
15.13838835 1.17811299 -1.91708162
-0.00012778 -0.00059469 0.00021073
0.00909821 0.03326541 -0.00334067
-2.50281130 13.45723415 -0.46417495
-0.00047799 -0.00038196 0.00038373
-0.00870921 -0.00334968 0.00039328
-5.36163095 12.88905372 0.31547077
0.00063284 -0.00021167 0.00053465
0.00721091 0.00683736 -0.00438834
3.75386220 10.70840863 3.50441995
0.00038306 0.00019775 -0.00012084
0.01476898 0.04000670 -0.00048817
6.33793369 12.23995415 3.47390056
0.00060046 -0.00046613 -0.00060493
0.01942783 -0.00480816 -0.00151636
25.27853488 -13.14508969 -8.55056673
-0.00033011 0.00081881 0.00073260
-0.00446089 -0.00108454 0.00384110
26.32476644 -11.54228886 -10.94233619
0.00024623 0.00028383 -0.00009293
-0.03087347 -0.00290511 0.01828055
14.71035183 -4.11414532 -0.94476516
-0.00035181 0.00003225 0.00016444
0.00675309 0.00862696 0.00944569
17.17932366 -5.55038251 -0.86946641
-0.00024221 0.00055824 0.00023933
-0.00651579 0.02302558 0.01049136
12.14399500 7.95385427 11.65871629
0.00035932 -0.00025252 0.00142962
0.00256880 0.00758151 -0.01238382
13.14198871 9.62344875 9.21589059
0.00091063 0.00009810 0.00038924
-0.00333200 -0.00664919 0.01525024
-0.05640481 -14.36877051 17.13172897
-0.00030188 0.00043362 0.00032178
-0.01515361 -0.00440537 -0.00502519
1.62531433 -12.15779306 18.27444710
-0.00074831 0.00030868 0.00016380
-0.00370184 -0.00963675 -0.00547646
-3.91930619 -2.32712869 -13.55787477
0.00039695 0.00021152 -0.00042307
-0.00661379 0.02249849 -0.01058793
-3.18258789 -0.52041200 -15.90775111
0.00044828 -0.00019604 -0.00093323
-0.01043449 -0.01161386 0.01318624
14.04290533 -8.13991169 -10.54039632
-0.00102676 -0.00038953 0.00027981
0.02376014 0.00240524 0.00444083
16.19493328 -6.42063946 -9.22745651
0.00027047 -0.00086669 -0.00012737
-0.00719209 -0.00802071 -0.00373985
7.26505421 -5.75022724 9.25846199
0.00032790 0.00017181 -0.00083512
-0.01129000 0.00421500 -0.00226245
9.33420364 -5.76754555 7.22490866
-0.00045601 -0.00083726 0.00075108
-0.00577286 -0.01298062 0.01517567
-21.22254456 1.98340789 20.92933861
-0.00109899 -0.00062082 0.00053912
0.00212477 0.00651455 -0.03481570
-21.77392867 0.59726239 23.26498262
-0.00029406 0.00011534 0.00061154
-0.00269850 0.01586981 0.00926776
26.50422610 -2.97550525 -6.22609199
0.00043482 -0.00031007 -0.00065302
-0.00015621 0.00100637 -0.00304114
25.14655582 -1.54548885 -8.24716873
-0.00018175 0.00004377 -0.00051543
-0.00307672 0.01538448 -0.00611358
9.03896323 -15.76639403 -7.61644571
0.00070942 0.00051728 -0.00024349
0.00403980 -0.00648301 -0.00087571
8.74306285 -12.87318536 -7.12658550
0.00047007 0.00033748 0.00030120
-0.00312315 0.00809777 0.00731516
-5.67809915 -11.08243721 18.00663413
-0.00085177 -0.00057605 -0.00033005
-0.00832177 -0.00722141 -0.01203409
-7.34929047 -11.31029446 15.58034905
-0.00007604 -0.00038541 0.00033256
0.00251076 0.01080262 -0.00828477
8.90093897 1.72351986 -29.42902994
-0.00183507 -0.00012766 0.00006211
0.00154101 0.01967612 0.00067465
6.77215547 3.21558942 -30.51405244
-0.00094049 -0.00019382 0.00027785
-0.01765276 0.00051049 -0.00426645
12.55521776 15.04596380 14.47026558
-0.00047825 0.00093487 -0.00062107
-0.00602403 0.00343560 0.01334595
11.16178182 15.99389843 17.12132322
-0.00061317 -0.00032363 0.00024728
-0.00332889 -0.01142639 -0.04208812
29.27146292 4.95673051 -4.42044795
0.00085894 -0.00026626 0.00059017
-0.00256120 -0.00437471 -0.00567594
26.89845578 6.50425586 -3.67683045
-0.00036185 0.00007883 -0.00027791
-0.01228646 0.00383737 -0.00233951
-9.95397774 4.87909597 6.85287163
0.00003648 -0.00009800 -0.00023051
-0.00094291 0.00289154 -0.00340253
-8.68379050 13.27343174 2.59379533
-0.00004966 0.00007384 0.00001254
-0.00269695 -0.00080541 -0.00405521
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09521596
0.30544616
406.99169383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3630706931 (a.u.)
total exchange computation time: 2.6459720135 s
-154.0419389282
-931.40178516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3630149619 (a.u.)
total exchange computation time: 2.6480031013 s
-154.0435329850
Anderson extrapolation: theta=1.3572584097 (1.3572584097)
-931.40197994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3628320934 (a.u.)
total exchange computation time: 2.6467399597 s
-154.0466572048
Anderson extrapolation: theta=0.0532429896 (0.0532429896)
-931.40209830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3627362590 (a.u.)
total exchange computation time: 2.6474409103 s
-154.0476081999
Anderson extrapolation: theta=1.9547537906 (1.9547537906)
-931.40210296
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3625215193 (a.u.)
total exchange computation time: 2.6492741108 s
-154.0496414178
Anderson extrapolation: theta=0.2141660053 (0.2141660053)
-931.40210795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3624664866 (a.u.)
total exchange computation time: 2.6476969719 s
-154.0500940185
Anderson extrapolation: theta=1.8479461301 (1.8479461301)
-931.40210888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3623827169 (a.u.)
total exchange computation time: 2.6483809948 s
-154.0507259915
Anderson extrapolation: theta=0.2758858173 (0.2758858173)
-931.40211006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3623778480 (a.u.)
total exchange computation time: 2.6481518745 s
-154.0507060949
Anderson extrapolation: theta=1.3425016777 (1.3425016777)
-931.40211035
-115.897453 22.774476 142.881302
559.158073 1031.390869 -412.700623
443.260620 1054.165345 -269.819321
1174.966815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3623845663 (a.u.)
total exchange computation time: 2.6796550751 s
678.68708265
-1083.26211886
89.88809473
-389.52017501
-174.83260955
78.02307490
551.60419304
0.00000000
-931.40211060
3.92581896 -30.74134482 -2.27713169
0.00001434 -0.00005018 -0.00003062
-0.00298089 -0.02118652 0.00529492
-11.64645492 -1.98243068 -9.18513871
0.00027878 0.00030842 -0.00010262
-0.02153653 -0.01935872 -0.01734996
-37.47384008 2.48078335 0.01373606
-0.00009017 0.00009503 0.00018642
0.02828514 -0.00659984 -0.00902567
-11.62356036 -4.04314317 3.82715721
-0.00013537 -0.00024362 -0.00000840
0.00549379 0.01152221 0.00812671
4.43573781 -3.90013502 9.37142340
-0.00036514 -0.00007710 -0.00024543
0.01974766 0.02216952 -0.01109803
-31.91023817 -0.71044931 -0.56516272
-0.00020511 0.00049969 0.00019733
-0.03969046 0.01090601 0.02626810
14.76119085 12.61293647 -13.96778124
-0.00039705 -0.00002773 0.00048975
0.01774309 -0.01769461 0.03623852
-7.69822891 5.96983818 2.51758697
0.00000943 0.00010160 -0.00004872
-0.00092538 -0.00354586 0.01225824
7.57504195 12.60863983 -5.70399572
0.00015418 -0.00001684 -0.00021317
-0.04974380 -0.03386260 0.00385408
8.88512101 9.85202212 -19.01794090
-0.00001320 0.00007020 0.00004652
-0.00791540 -0.00699934 -0.00246228
23.35858009 17.32388303 -2.13516965
0.00009778 0.00004298 -0.00007960
-0.00771026 0.00234203 -0.01018036
2.27691645 16.90204452 -19.43108749
0.00000810 -0.00009785 -0.00032051
-0.00970047 0.00174386 0.02436117
14.02167149 -1.30778960 -5.46416788
-0.00014522 0.00027517 -0.00028393
0.01938545 -0.00713596 0.01896801
-16.08463750 -1.58527800 3.19063273
0.00007809 0.00049939 -0.00007359
-0.02316595 -0.04110234 0.01480071
-16.90596015 -1.83058930 19.21894831
0.00030177 -0.00020692 -0.00046783
0.05047634 -0.01620657 0.00404162
0.36610729 2.06011285 -5.02380774
0.00020219 -0.00011238 0.00020563
-0.01343562 -0.02358178 -0.00654375
22.52899976 -7.18410107 -8.92053107
0.00035380 -0.00001498 0.00012012
-0.03651043 0.00255986 -0.00116417
-0.57767871 -6.43255880 7.24542926
-0.00024640 0.00005624 0.00001059
0.00084642 0.01181166 0.00707187
-1.79811484 -1.40870838 -19.30725123
0.00007035 0.00005315 -0.00013078
-0.02875238 0.02120470 -0.02031140
3.28289867 2.12885447 -9.28809784
-0.00011698 -0.00030254 -0.00000243
0.00576130 -0.00793096 -0.03175505
-3.79589676 17.94347788 12.24955874
-0.00010782 -0.00017442 0.00030092
0.02244473 -0.03403736 -0.01179746
-3.82414566 4.98091181 -11.13734764
-0.00012348 -0.00005472 0.00057211
0.00857714 0.00575121 -0.00635897
-8.04171062 3.10682952 -8.99420545
0.00019649 -0.00035204 0.00005559
-0.06066606 -0.02687335 0.03211744
2.12861509 27.36954446 8.54160832
0.00035598 0.00016442 0.00011911
0.01343210 0.00809410 -0.02969075
9.91563906 -6.18754975 -1.92746768
-0.00028009 0.00006692 0.00013452
0.00030648 0.00128173 -0.00160978
-8.77430891 0.72577875 5.95118130
0.00006277 0.00023172 0.00012184
-0.02206093 -0.03608150 0.01204890
20.37431510 10.75419883 8.87756256
-0.00011370 0.00006384 0.00013964
0.01452680 -0.01063589 -0.00305647
-2.50052584 -2.13569591 -27.19727966
0.00046278 -0.00002762 -0.00004825
0.01634034 -0.01869225 0.00110303
-14.30701720 6.10141069 7.58413504
-0.00006841 0.00016954 0.00024597
-0.00474857 0.01059914 0.00215209
-9.70473629 7.24959467 -2.58509508
0.00037757 0.00011040 0.00018825
-0.00836138 0.00550293 -0.01723975
-1.75504895 -15.67797035 23.79195472
0.00010407 0.00041851 -0.00052563
0.04480781 0.00833946 -0.00947487
-2.62861470 6.32180603 -6.34832052
-0.00010940 -0.00003172 0.00019982
0.01776055 -0.00911575 0.01358191
-20.11929035 31.08303541 4.41934301
0.00041155 -0.00013844 -0.00042713
-0.04432039 -0.01046451 -0.01312794
7.59294180 0.03805497 7.99832855
0.00006956 0.00013525 -0.00015889
-0.00419951 0.01617848 -0.02070583
5.61186665 11.39964674 -13.80334362
0.00024123 0.00030352 0.00034427
-0.04535508 0.01069647 -0.02715774
15.65490419 2.98387085 -1.96206930
-0.00036430 -0.00036328 0.00003529
-0.00051236 -0.02707085 0.00665406
-4.24691101 13.57194344 -1.01898838
-0.00029850 -0.00017182 0.00026800
0.00411093 -0.01084216 -0.00220429
4.57690981 12.52761000 3.22662744
-0.00006727 -0.00044054 -0.00022037
-0.02677905 -0.02013062 -0.00575501
24.88316980 -11.72304992 -9.62214857
0.00030580 0.00014213 -0.00035284
0.03298933 0.00499704 -0.02916512
16.44903505 -3.83277110 -0.42876731
0.00023235 0.00012981 -0.00017516
0.00345849 -0.02637640 -0.01558261
12.95239781 7.93008116 9.98036594
0.00009111 0.00014264 0.00014175
0.00159529 -0.00012958 0.00178638
1.60890802 -13.89850738 17.66718345
-0.00007023 -0.00033898 -0.00005959
0.03018950 0.01971852 0.01178070
-4.32367333 -0.70189238 -14.42330140
0.00022567 -0.00016155 0.00050439
0.02730555 -0.00568399 -0.01166688
15.10404660 -7.95063995 -9.00335654
0.00025813 0.00066289 0.00013896
-0.02389904 -0.00312436 -0.00998638
8.65193809 -6.78059363 8.65777314
-0.00040347 -0.00042049 0.00028766
0.02017503 0.00481537 -0.01502207
-21.30572984 2.30975066 22.68404424
0.00018318 0.00009786 0.00011916
0.00027248 -0.02002179 0.02708260
25.78171318 -3.21031491 -7.91106583
-0.00015976 -0.00015185 -0.00021166
0.00356208 -0.00670841 0.00911607
9.82655071 -14.13401835 -7.83903894
-0.00003684 0.00000041 -0.00039938
0.01262885 0.01277941 -0.01012042
-6.48760387 -12.29699836 16.83484416
-0.00038757 -0.00032169 0.00030730
0.01330138 0.00326117 0.01533616
8.19533264 3.45438706 -29.40337142
-0.00005508 -0.00016067 0.00022537
-0.00018053 -0.03093342 -0.00365906
10.85091421 15.47031482 15.26656740
-0.00001871 -0.00032350 0.00029261
0.02370129 0.02210758 0.02402075
28.56876150 6.03780941 -3.13009745
0.00017327 0.00001706 -0.00035456
0.00456732 0.01490657 0.00478540
5.40592017 -31.17167105 -3.26093320
0.00053241 0.00001893 0.00019994
0.00441347 -0.00642961 -0.00429454
3.92476146 -31.70926175 -0.71305628
0.00035872 -0.00012899 0.00028677
0.00932075 0.00611631 0.00074055
-11.66269365 -3.79736228 -8.66874065
0.00001575 0.00066439 -0.00037227
0.00169667 0.01719351 0.00263701
-12.70922326 -2.00693898 -10.72132470
0.00017179 0.00067946 0.00033642
0.01493037 0.00820088 0.01549782
-38.96343895 2.11514734 0.91131700
0.00012800 -0.00012578 -0.00035319
-0.02172045 -0.00699783 0.01527802
-37.77486610 4.05704587 -0.90573052
-0.00010864 -0.00089519 0.00046206
-0.00329809 0.00115214 -0.00261775
-10.77901243 -5.68152202 3.63285623
0.00006520 0.00106579 0.00027450
0.00718207 0.00530186 -0.00498976
-10.37579381 -2.67901446 3.62380459
-0.00070587 -0.00016136 0.00003889
-0.00560660 -0.01806065 0.00089933
5.29516768 -2.47033679 8.41476892
-0.00054358 -0.00038404 -0.00047788
-0.01705316 -0.02172776 0.02666317
4.78288378 -3.58847505 11.18325770
0.00033649 -0.00016660 -0.00051721
-0.00915907 0.00214857 -0.01183365
-33.36494421 -1.81135981 -0.77785228
0.00000654 0.00037467 0.00014661
0.00301516 -0.00432691 0.00056105
-32.69997503 0.56730663 0.58458094
-0.00036354 0.00051645 0.00138916
0.01641661 -0.01088476 -0.02033263
14.65515905 12.75149201 -15.76390150
-0.00019720 -0.00036363 -0.00124749
0.00397788 0.00094643 -0.01741943
16.41800829 11.88364894 -13.43001050
-0.00129528 0.00027299 -0.00017214
-0.02018924 0.01396530 -0.01628345
-8.64964877 7.01454475 1.39105872
-0.00024879 0.00000420 0.00072301
-0.00664506 0.01620716 -0.00477857
-7.44622529 4.59704612 1.35142389
-0.00036661 0.00095661 0.00114427
0.01014706 -0.01393397 -0.00724926
6.11475984 12.31497993 -6.81779739
-0.00007461 -0.00015406 -0.00048045
0.01239354 0.00560110 0.00850010
8.81726601 13.59427043 -6.62742476
-0.00004563 0.00024658 -0.00085561
0.01839055 0.01690938 -0.01088363
8.51594002 8.85497988 -20.52935063
-0.00045442 0.00000006 0.00068572
0.01258663 0.01234399 0.00756995
10.35929254 10.95800643 -19.25048994
-0.00146233 0.00088567 -0.00057476
-0.00009747 -0.01018867 -0.00760201
23.92305044 15.62742791 -2.64286313
-0.00061778 -0.00112465 0.00005722
-0.00205196 0.00633027 0.00220074
24.94789296 18.25251334 -2.41762775
0.00034774 -0.00056269 0.00022811
-0.01331151 0.00820906 0.00754484
1.46794704 16.77697330 -21.04897645
-0.00086059 -0.00075031 -0.00102038
-0.00257056 0.01423050 -0.02333935
2.73375279 15.15461633 -19.12950325
0.00031634 0.00065562 0.00003143
0.01899581 -0.00785670 0.00595671
12.93001832 -0.76847401 -6.79994877
-0.00015950 0.00123059 0.00007919
-0.01681365 -0.00839934 -0.00376202
13.24678005 -1.33222826 -3.77863038
0.00088670 -0.00019112 -0.00005571
-0.00272278 0.00999402 -0.02210074
-17.35037534 -3.05283766 3.26541347
0.00060781 0.00018767 -0.00087654
0.01191570 0.03415440 -0.00748799
-14.58587203 -2.59734822 3.55746906
-0.00082215 -0.00020316 0.00046054
0.00726913 0.00502638 -0.00756729
-16.05381397 -0.29074688 19.92731620
-0.00001152 -0.00042776 0.00060016
-0.01771903 -0.00740508 -0.00040318
-15.49857214 -3.10481478 19.39746121
0.00031250 -0.00031300 0.00006805
-0.02655197 0.02146649 0.00023067
-0.91608782 0.65404810 -5.22781644
-0.00034942 0.00019456 0.00010546
0.02076500 0.00489722 0.00789705
-0.77216799 3.45031670 -4.95234166
0.00000017 -0.00047746 -0.00035963
-0.00899736 0.02159409 0.00411976
23.26860716 -8.81123577 -9.29965686
-0.00015411 0.00070540 0.00037463
0.01281283 0.00306800 0.00363042
23.61634173 -5.77435451 -8.59031587
0.00025802 -0.00018132 -0.00058889
0.02134743 -0.00111448 0.00248362
0.45656675 -5.83469505 5.87678206
-0.00018761 0.00007245 -0.00006299
0.00472373 -0.00610786 -0.01777644
-0.08068278 -5.15144757 8.46114707
0.00079016 -0.00050126 0.00001829
-0.00321273 -0.01144291 0.01030526
-1.05678727 -2.91508272 -18.81659765
0.00059227 0.00005344 0.00000674
0.02952808 -0.03642302 0.01848604
-3.02869286 -2.09688685 -20.51500472
0.00051822 0.00070501 -0.00004546
-0.00525494 0.01263043 0.00207949
2.68731147 2.23765064 -11.06341783
-0.00044000 -0.00023348 -0.00048952
0.00914431 0.00620119 0.02279964
1.98168951 2.75740765 -8.18552972
0.00025364 0.00060431 0.00070542
-0.00857500 -0.00197690 0.01117084
-2.35851737 16.65546378 12.59067657
-0.00047686 -0.00012174 -0.00065148
-0.01995038 0.02402383 -0.00417295
-3.48339899 19.34692943 13.34008835
-0.00018864 -0.00069576 -0.00049165
0.00263073 0.00399086 0.01451404
-4.53929176 6.25514459 -12.20982644
-0.00107014 0.00076644 -0.00032970
-0.00779460 0.01149911 0.00223785
-3.18286245 3.79208229 -12.32763392
-0.00055913 -0.00018091 -0.00150552
0.00318400 -0.01820390 -0.00496266
-7.86549328 2.16127416 -7.41103286
-0.00040184 -0.00014793 -0.00014407
0.00381387 0.01047170 -0.01422894
-6.44756946 3.60702954 -9.43313072
0.00053913 -0.00020515 -0.00012794
0.05365468 0.01684300 -0.01518602
2.19835306 28.34522352 6.93215633
0.00083617 -0.00017660 0.00062390
0.00578367 -0.01465776 0.01595102
0.50045583 27.80231751 9.10742548
0.00054674 0.00069534 0.00022703
-0.02235572 0.00509121 0.01281920
10.71604503 -7.26268546 -0.67616860
-0.00014814 -0.00124534 -0.00010887
0.00587546 0.00228381 0.00624113
8.74737138 -7.32659879 -2.74067521
-0.00023119 0.00013440 -0.00054822
-0.00465879 -0.00232773 -0.00159005
-7.02088050 0.34032701 6.28303454
0.00041147 0.00064528 -0.00010157
0.01791732 0.00326633 0.00202822
-9.41435311 -0.81181129 6.85398286
-0.00016638 -0.00036202 0.00019321
-0.00327005 0.03103631 -0.01175280
21.74886352 10.06343668 9.93642918
-0.00001857 -0.00030672 -0.00063119
-0.01264829 0.01477737 -0.00518954
20.94400316 12.40383486 8.25181358
0.00057703 0.00051506 -0.00075391
-0.00059746 0.00138543 0.00819116
-1.54182989 -3.56926872 -26.38041897
-0.00048702 -0.00005354 -0.00077257
-0.01402950 0.02623196 -0.00710986
-4.25417079 -2.19677647 -26.70621163
0.00151519 0.00008515 -0.00066784
-0.00056847 -0.00263472 0.00409043
-14.24433484 7.26307615 8.99836844
0.00050447 -0.00002566 0.00029156
0.00521355 -0.00780333 0.00514544
-15.15909743 7.25235119 6.43953534
-0.00072565 -0.00035300 0.00075528
0.00348180 -0.00685611 -0.00781298
-11.21210598 6.92873014 -3.59599549
0.00032511 0.00117747 0.00044982
0.00588495 0.00344209 0.00967476
-8.71512625 8.36192595 -3.74958094
-0.00031440 -0.00010606 -0.00018247
-0.00241308 -0.01146796 0.01359683
-1.24063690 -17.42057340 23.46820091
-0.00043501 -0.00013306 -0.00007768
0.00880775 -0.00217189 -0.00504001
-3.40385301 -15.77366065 24.35123735
-0.00127125 -0.00054091 -0.00011779
-0.04847815 0.00224988 0.01370386
-2.74282511 5.79090731 -8.06107263
0.00099323 0.00074677 -0.00011935
0.00033916 -0.00656908 -0.01898136
-3.77916643 7.68816100 -6.26730088
-0.00027101 -0.00079928 -0.00020748
-0.02451026 0.01785241 0.00794015
-21.19562380 30.56648165 2.89114903
-0.00013064 -0.00016063 0.00015538
0.00695524 -0.00416576 0.02982187
-21.33613596 32.03735705 5.49698614
-0.00044554 -0.00080937 0.00069765
0.01064257 -0.01447361 -0.01191025
7.04892170 -0.01023193 6.21398222
-0.00000790 0.00044510 -0.00108278
0.00099352 -0.01872535 -0.00106330
7.45989636 1.85737775 8.10719057
0.00044091 0.00010079 -0.00113046
0.00122894 0.00705666 0.01768819
6.85018861 12.78280269 -13.84642734
0.00080224 -0.00009889 -0.00100839
0.00441159 0.00297838 0.00076257
4.23912573 12.04101469 -15.06643032
-0.00049364 -0.00037288 0.00002708
0.04559005 -0.01711123 0.03626280
14.49582696 3.83541347 -3.09185594
0.00016356 -0.00037398 -0.00021820
0.00027647 0.00179284 0.00561496
15.13675050 1.17021198 -1.91402306
-0.00009090 -0.00045676 0.00019659
0.00895087 0.03425113 -0.00357939
-2.51024799 13.45140208 -0.45840691
-0.00051081 -0.00039524 0.00038485
-0.00735765 -0.00315216 0.00015435
-5.35191735 12.88608819 0.32335601
0.00065826 -0.00018516 0.00051868
0.00523039 0.00613934 -0.00342811
3.76006062 10.71260084 3.50259243
0.00044116 0.00035691 -0.00012276
0.01367209 0.03790447 -0.00045368
6.34753597 12.23281485 3.46478015
0.00066929 -0.00048457 -0.00061228
0.01426469 -0.00421587 -0.00208011
25.27344653 -13.13284070 -8.53945998
-0.00034706 0.00081395 0.00074754
-0.00383558 -0.00129638 0.00347137
26.32751382 -11.53812046 -10.94317000
0.00012237 0.00027105 -0.00001891
-0.02975709 -0.00335151 0.01795304
14.70528164 -4.11339724 -0.94200908
-0.00031764 0.00006849 0.00020487
0.00997463 0.00911239 0.01034210
17.17549083 -5.54130337 -0.86555495
-0.00026580 0.00064595 0.00028030
-0.00503161 0.01991047 0.00956134
12.14946346 7.95029872 11.67978109
0.00037489 -0.00022086 0.00136683
0.00505708 0.00791965 -0.01835154
13.15554599 9.62471653 9.22219643
0.00089625 0.00007246 0.00045153
-0.00370707 -0.00590264 0.01524365
-0.06139734 -14.36240119 17.13640174
-0.00036474 0.00041353 0.00030062
-0.01561663 -0.00542713 -0.00533464
1.61397620 -12.15345817 18.27673628
-0.00076152 0.00026033 0.00013875
-0.00276250 -0.01403061 -0.00678390
-3.91355457 -2.32326648 -13.56454521
0.00037151 0.00029514 -0.00046148
-0.00583903 0.01843598 -0.00821793
-3.17618343 -0.52370848 -15.92134555
0.00039649 -0.00024459 -0.00086732
-0.01491928 -0.01215095 0.01907699
14.02823206 -8.14568097 -10.53606313
-0.00092275 -0.00037728 0.00030438
0.02715000 0.00359168 0.00758603
16.19876992 -6.43388566 -9.22948168
0.00024713 -0.00088812 -0.00014532
-0.00423053 -0.00246605 -0.00504622
7.26962680 -5.74752090 9.24586580
0.00027433 0.00019203 -0.00083953
-0.01493358 0.00568119 0.00010509
9.32718656 -5.78050223 7.23663990
-0.00047480 -0.00088696 0.00080605
-0.00342166 -0.01134723 0.01173291
-21.23896428 1.97429523 20.93635857
-0.00109009 -0.00059448 0.00039125
0.00223014 0.00637987 -0.03756731
-21.77842232 0.59947877 23.27443977
-0.00030396 0.00018295 0.00064907
-0.00214503 0.01722821 0.00910149
26.51074369 -2.98012549 -6.23598043
0.00043443 -0.00030503 -0.00066326
-0.00003670 0.00146082 -0.00197317
25.14373524 -1.54436092 -8.25508746
-0.00019247 0.00010277 -0.00053873
-0.00216819 0.01349601 -0.00529598
9.04972828 -15.75883344 -7.62012489
0.00071998 0.00048086 -0.00024515
0.00112919 -0.01134587 0.00006226
8.75001825 -12.86787503 -7.12184330
0.00045910 0.00036743 0.00032972
-0.00224765 0.00656169 0.00664403
-5.69113067 -11.09129919 18.00131459
-0.00088072 -0.00059926 -0.00037188
-0.00584933 -0.00413955 -0.00844133
-7.35035421 -11.31574465 15.58508354
-0.00006748 -0.00034023 0.00029631
0.00168256 0.01131754 -0.00945741
8.87346020 1.72220788 -29.42807756
-0.00182307 -0.00005625 0.00006592
0.00433347 0.01527830 0.00118835
6.75750721 3.21269780 -30.51001537
-0.00100493 -0.00018860 0.00026664
-0.01389215 0.00204263 -0.00122525
12.54785941 15.06009218 14.46135851
-0.00050005 0.00094819 -0.00056504
-0.00464564 0.00308457 0.01407935
11.15248227 15.98869382 17.12374273
-0.00062462 -0.00036984 0.00007684
-0.00227693 -0.01119397 -0.04134400
29.28426855 4.95260258 -4.41176941
0.00084792 -0.00028547 0.00056361
-0.00283571 -0.00502772 -0.00732346
26.89265150 6.50555591 -3.68107079
-0.00040374 0.00009130 -0.00028639
-0.00821790 0.00226772 -0.00181070
-9.95343302 4.87763371 6.84940490
0.00003612 -0.00009690 -0.00023166
-0.00108970 0.00323836 -0.00302613
-8.68454002 13.27453797 2.59397642
-0.00005028 0.00007364 0.00001163
-0.00269637 -0.00090517 -0.00383115
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09554185
0.30656875
408.48749286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3654893065 (a.u.)
total exchange computation time: 2.6564028263 s
-154.0525249660
-931.40179504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3655101312 (a.u.)
total exchange computation time: 2.6528089046 s
-154.0536345157
Anderson extrapolation: theta=1.3953810898 (1.3953810898)
-931.40198893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3654447410 (a.u.)
total exchange computation time: 2.6553969383 s
-154.0560377744
Anderson extrapolation: theta=0.0644381734 (0.0644381734)
-931.40211180
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3653671591 (a.u.)
total exchange computation time: 2.6521160603 s
-154.0568682866
Anderson extrapolation: theta=2.1336786630 (2.0000000000)
-931.40211783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3651959343 (a.u.)
total exchange computation time: 2.6546180248 s
-154.0585975730
Anderson extrapolation: theta=0.2900362845 (0.2900362845)
-931.40212491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3651499320 (a.u.)
total exchange computation time: 2.6550891399 s
-154.0589971513
Anderson extrapolation: theta=1.3782778008 (1.3782778008)
-931.40212644
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3651091527 (a.u.)
total exchange computation time: 2.6529822350 s
-154.0592945119
Anderson extrapolation: theta=0.3835754859 (0.3835754859)
-931.40212784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3651150517 (a.u.)
total exchange computation time: 2.6559638977 s
-154.0591809770
Anderson extrapolation: theta=1.0455879737 (1.0455879737)
-931.40212824
-115.953814 22.816462 142.818437
559.133593 1031.389349 -412.704283
443.179779 1054.205810 -269.885846
1174.987905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3651353720 (a.u.)
total exchange computation time: 2.6542990208 s
678.72244227
-1083.34968982
89.89099280
-389.46145844
-174.83927989
78.07251664
551.60419304
0.00000000
-931.40212845
3.92602256 -30.74217929 -2.27757063
0.00001332 -0.00006156 -0.00002768
-0.00100265 -0.02305297 0.00614888
-11.64235628 -1.97787907 -9.18674497
0.00026797 0.00029898 -0.00011127
-0.02051962 -0.01736593 -0.01626127
-37.47508347 2.48218337 0.01649755
-0.00007474 0.00009045 0.00018223
0.03171481 -0.01120880 -0.00727757
-11.62556973 -4.04675297 3.82706251
-0.00013373 -0.00023644 -0.00000397
0.00089809 0.01637311 0.00909484
4.43033695 -3.90120597 9.36769912
-0.00035511 -0.00006595 -0.00025139
0.01925547 0.02117449 -0.01208996
-31.91346796 -0.70291183 -0.56210146
-0.00022577 0.00050605 0.00021162
-0.04062939 0.01381392 0.02931883
14.75530351 12.61245231 -13.96029523
-0.00038965 -0.00003590 0.00050429
0.01104402 -0.01407233 0.02029349
-7.69809106 5.97134855 2.51690347
0.00000892 0.00010153 -0.00004007
-0.00106105 0.00324480 0.02139294
7.57716275 12.60825663 -5.70717839
0.00012858 -0.00003403 -0.00021193
-0.04980261 -0.03299356 0.00097065
8.88489243 9.85304816 -19.01725257
-0.00001791 0.00006649 0.00004606
-0.01037805 -0.00744547 0.00066152
23.36001699 17.32453680 -2.13640293
0.00009378 0.00004278 -0.00008496
-0.00782859 -0.00312839 -0.01066078
2.27700050 16.90058345 -19.43580119
0.00000198 -0.00009604 -0.00030989
-0.01409350 0.00531178 0.01692705
14.01956794 -1.30368960 -5.46835372
-0.00013496 0.00027142 -0.00027465
0.02051043 -0.00745604 0.01714565
-16.08355545 -1.57794566 3.18958603
0.00006611 0.00047834 -0.00006612
-0.02345397 -0.04075946 0.01423469
-16.90123892 -1.83375556 19.21194651
0.00032782 -0.00021520 -0.00046549
0.05083325 -0.01600002 0.00504747
0.36908829 2.05833619 -5.02074851
0.00019511 -0.00012476 0.00020224
-0.01407511 -0.02457149 -0.00665639
22.53416599 -7.18431587 -8.91873370
0.00033401 -0.00001262 0.00011979
-0.04048213 0.00661272 -0.00013894
-0.58137144 -6.43166971 7.24561543
-0.00024581 0.00006226 0.00001389
0.00144654 0.01162754 0.00576899
-1.79717044 -1.40782931 -19.30929126
0.00005667 0.00006379 -0.00014017
-0.02445857 0.02016342 -0.01620871
3.28116620 2.12428578 -9.28825674
-0.00011486 -0.00030628 -0.00001887
0.00248825 -0.00660511 -0.03219619
-3.79742753 17.94073029 12.25402698
-0.00009693 -0.00019301 0.00029349
0.01990990 -0.03825878 -0.01707659
-3.82596477 4.98011318 -11.12879049
-0.00011927 -0.00005147 0.00056506
0.00779595 0.00688032 -0.02104539
-8.03899728 3.10144528 -8.99324766
0.00016641 -0.00036504 0.00007110
-0.05629362 -0.02370003 0.02818274
2.13400666 27.37204194 8.54328048
0.00036275 0.00016805 0.00010475
0.01287794 0.00604778 -0.02614298
9.91143896 -6.18654098 -1.92545606
-0.00027968 0.00006649 0.00013432
0.00126093 -0.00297451 0.00083506
-8.77345242 0.72911536 5.95305541
0.00005159 0.00021251 0.00012839
-0.02141584 -0.03860763 0.01341605
20.37266558 10.75511541 8.87964533
-0.00010607 0.00005985 0.00013719
0.01515545 -0.00489225 -0.00647404
-2.49352110 -2.13618225 -27.19799919
0.00047275 -0.00003640 -0.00004873
0.02242831 -0.01546371 -0.00296851
-14.30806160 6.10399470 7.58783288
-0.00007052 0.00017443 0.00024735
-0.00345468 0.00841884 0.00320960
-9.69910495 7.25127185 -2.58233779
0.00037333 0.00011318 0.00017974
-0.00811992 0.00531228 -0.01587971
-1.75331501 -15.67166056 23.78403376
0.00012329 0.00042193 -0.00052931
0.02991676 0.00498596 -0.00485750
-2.63018713 6.32129507 -6.34527086
-0.00009971 -0.00003714 0.00020657
0.01991370 -0.01194933 0.01266245
-20.11328803 31.08091851 4.41288537
0.00038781 -0.00014336 -0.00043272
-0.04802278 -0.00868987 -0.00858526
7.59396893 0.04014618 7.99586527
0.00006704 0.00014342 -0.00017106
-0.00559035 0.01559052 -0.02659982
5.61531015 11.40424083 -13.79828432
0.00021766 0.00030906 0.00032993
-0.04630536 0.01082815 -0.02860023
15.64943769 2.97831722 -1.96151431
-0.00036416 -0.00037722 0.00003896
0.00105301 -0.02713038 0.00761140
-4.25137258 13.56932437 -1.01497685
-0.00029620 -0.00017725 0.00026660
0.00481666 -0.01028048 -0.00325468
4.57579750 12.52092423 3.22329973
-0.00007919 -0.00045020 -0.00022328
-0.01957523 -0.01741300 -0.00557661
24.88788411 -11.72089867 -9.62755368
0.00032221 0.00014477 -0.00036742
0.03080208 0.00524855 -0.02754061
16.45253362 -3.83092571 -0.43145479
0.00023292 0.00011712 -0.00018308
-0.00123989 -0.02295129 -0.01521981
12.95377063 7.93222028 9.98249909
0.00009141 0.00014220 0.00014401
-0.00044626 -0.00160098 0.00701648
1.60797102 -13.90351609 17.66633509
-0.00005496 -0.00032764 -0.00005322
0.02920221 0.02438056 0.01297115
-4.32018295 -0.70433762 -14.41578060
0.00024044 -0.00016311 0.00049630
0.03012677 -0.00038525 -0.01978675
15.10782632 -7.94070861 -9.00131059
0.00024407 0.00065938 0.00013348
-0.03077889 -0.01051978 -0.01132266
8.64596385 -6.78688239 8.66203010
-0.00039281 -0.00041883 0.00028038
0.02126150 0.00163980 -0.01327046
-21.30298113 2.31114131 22.68593608
0.00018318 0.00008730 0.00013343
-0.00024826 -0.02104560 0.02842072
25.77933046 -3.21261856 -7.91420551
-0.00015820 -0.00015481 -0.00020749
0.00251408 -0.00478874 0.00707042
9.82604680 -14.13396296 -7.84506870
-0.00002992 0.00000861 -0.00040457
0.01428856 0.01912579 -0.01003656
-6.49336608 -12.30181114 16.83951285
-0.00038125 -0.00032089 0.00031428
0.01125514 -0.00012929 0.01180505
8.19450578 3.45185766 -29.40000496
-0.00005684 -0.00017567 0.00022256
-0.00669367 -0.02740445 -0.00729142
10.85072499 15.46554755 15.27104913
-0.00000710 -0.00031206 0.00030444
0.02145927 0.02238228 0.02201823
28.57137818 6.03812282 -3.13539742
0.00017462 0.00002527 -0.00035187
0.00066099 0.01700441 0.00568301
5.41404156 -31.17158407 -3.25806573
0.00054652 -0.00000616 0.00018377
0.00249284 -0.00585183 -0.00362142
3.93042793 -31.71100923 -0.70873206
0.00039615 -0.00010172 0.00028658
0.00899995 0.00723481 -0.00083275
-11.66240533 -3.78686953 -8.67424383
0.00002285 0.00073033 -0.00036005
0.00177575 0.01508157 0.00334053
-12.70618889 -1.99649574 -10.71580354
0.00023019 0.00071300 0.00039574
0.01365624 0.00821649 0.01353904
-38.96218449 2.11304616 0.90648729
0.00003372 -0.00015585 -0.00028748
-0.02443333 -0.00771889 0.01688712
-37.77659681 4.04365330 -0.89887986
-0.00012378 -0.00087895 0.00044471
-0.00411350 0.00679612 -0.00587345
-10.77781438 -5.66537264 3.63682077
0.00010048 0.00107379 0.00025274
0.01008702 -0.00138656 -0.00566028
-10.38655365 -2.68198824 3.62441548
-0.00072581 -0.00023104 0.00004201
-0.00415520 -0.01605119 0.00062871
5.28649147 -2.47676324 8.40841772
-0.00061283 -0.00047113 -0.00036991
-0.01684756 -0.02090118 0.02618815
4.78765040 -3.59090822 11.17513699
0.00029897 -0.00015771 -0.00056341
-0.00920426 0.00220389 -0.01078383
-33.36475379 -1.80587243 -0.77563597
0.00001757 0.00035677 0.00014872
0.00238566 -0.00443529 0.00047256
-32.70492510 0.57471984 0.60479535
-0.00029306 0.00046565 0.00129984
0.01808518 -0.01398025 -0.02339446
14.65232291 12.74606663 -15.78314758
-0.00018087 -0.00036133 -0.00129188
0.00401437 0.00017768 -0.00431160
16.39796040 11.88817171 -13.43309157
-0.00136439 0.00032453 -0.00023332
-0.01363787 0.01126380 -0.01366630
-8.65358428 7.01510444 1.40175746
-0.00027891 0.00007412 0.00069973
-0.00810000 0.01801765 -0.00661705
-7.45141353 4.61096822 1.36836583
-0.00032212 0.00088192 0.00110000
0.01163099 -0.02262432 -0.01442001
6.11402043 12.31284070 -6.82474368
-0.00002132 -0.00013082 -0.00044262
0.01369479 0.00577346 0.01001775
8.81714516 13.59848729 -6.64059244
0.00002662 0.00031289 -0.00089663
0.01697608 0.01555218 -0.00919455
8.50950941 8.85535902 -20.51883281
-0.00040418 0.00004744 0.00071116
0.01200804 0.01084920 0.00487964
10.33735463 10.97097929 -19.25934436
-0.00145594 0.00084795 -0.00060683
0.00322340 -0.00827537 -0.00809405
23.91372091 15.61075216 -2.64193738
-0.00062748 -0.00108797 0.00006846
-0.00269836 0.01162292 0.00330193
24.95270117 18.24432452 -2.41397496
0.00029522 -0.00052916 0.00025792
-0.01239950 0.00820412 0.00704753
1.45495948 16.76615473 -21.06499736
-0.00086329 -0.00069114 -0.00110157
0.00124775 0.01473278 -0.01640496
2.73907994 15.16420981 -19.12884931
0.00039512 0.00061564 0.00005668
0.01957070 -0.01171219 0.00640234
12.92711057 -0.75027259 -6.79887622
-0.00022817 0.00119578 0.00006558
-0.01679751 -0.00864097 -0.00290140
13.25999707 -1.33478881 -3.78014322
0.00087313 -0.00014982 -0.00014370
-0.00391964 0.01022461 -0.02097315
-17.34089312 -3.04897601 3.25203586
0.00065215 0.00032662 -0.00090675
0.00979314 0.03386224 -0.00729837
-14.59798155 -2.60024166 3.56414533
-0.00078760 -0.00018287 0.00043021
0.00964389 0.00490667 -0.00728108
-16.05452967 -0.29739023 19.93630621
-0.00008400 -0.00045864 0.00059717
-0.01776474 -0.00770892 -0.00105887
-15.49469828 -3.10885193 19.39848899
0.00020370 -0.00022494 0.00006836
-0.02670445 0.02163568 -0.00007604
-0.92069284 0.65711649 -5.22599252
-0.00026230 0.00021380 0.00013754
0.02187951 0.00452095 0.00780621
-0.77244120 3.44381657 -4.95760993
-0.00003723 -0.00038616 -0.00034240
-0.00930837 0.02309841 0.00431729
23.26668812 -8.80056072 -9.29392610
-0.00009621 0.00070568 0.00038604
0.01552826 -0.00293014 0.00195378
23.62086614 -5.77710842 -8.59907308
0.00034758 -0.00018223 -0.00057774
0.02249315 0.00066902 0.00297448
0.45389741 -5.83379544 5.87529254
-0.00016953 0.00004647 -0.00013474
0.00412333 -0.00661204 -0.01734780
-0.06892876 -5.15931706 8.46173725
0.00077727 -0.00054679 0.00006208
-0.00310132 -0.01084620 0.01112796
-1.04699834 -2.91539728 -18.81593005
0.00070919 -0.00008910 0.00007915
0.02770266 -0.03334754 0.01695847
-3.02108054 -2.08592469 -20.51562295
0.00049171 0.00075238 -0.00004193
-0.00772464 0.01055959 -0.00034950
2.68099172 2.23433842 -11.07006194
-0.00040093 -0.00020800 -0.00038970
0.00997819 0.00627442 0.02606200
1.98523139 2.76641172 -8.17460604
0.00022371 0.00059312 0.00074547
-0.00607737 -0.00350053 0.00843174
-2.36628163 16.65437392 12.58077650
-0.00055524 -0.00002513 -0.00066654
-0.01841782 0.02326345 -0.00319959
-3.48614804 19.33661538 13.33315842
-0.00017486 -0.00066825 -0.00042382
0.00411770 0.00947410 0.01868916
-4.55558267 6.26699349 -12.21470336
-0.00109301 0.00079764 -0.00030592
-0.00340387 0.00377651 0.00940461
-3.19115182 3.78881086 -12.35036875
-0.00055320 -0.00024159 -0.00151068
-0.00028114 -0.01149910 0.00243356
-7.87140395 2.15937608 -7.41362999
-0.00038461 -0.00010726 -0.00019793
0.00461928 0.00943609 -0.01213223
-6.43783835 3.60446848 -9.43551510
0.00074772 -0.00014019 -0.00018631
0.04845041 0.01495181 -0.01338754
2.21107282 28.34212537 6.94200360
0.00085975 -0.00023241 0.00068203
0.00576085 -0.01266021 0.01250673
0.50797190 27.81290362 9.11122373
0.00045633 0.00071611 0.00027909
-0.02189959 0.00507472 0.01266713
10.71400302 -7.28129558 -0.67761040
-0.00012806 -0.00122974 -0.00008981
0.00395360 0.00535497 0.00308739
8.74376074 -7.32465418 -2.74894726
-0.00024819 0.00012726 -0.00055326
-0.00366130 -0.00116433 -0.00087683
-7.01415942 0.35010629 6.28157320
0.00047968 0.00065803 -0.00009318
0.01547287 0.00297695 0.00207815
-9.41694902 -0.81629060 6.85652088
-0.00017595 -0.00022993 0.00014239
-0.00141512 0.03362468 -0.01312351
21.74819742 10.05928869 9.92680235
-0.00006727 -0.00024729 -0.00064984
-0.01119379 0.01431400 -0.00394185
20.95264035 12.41160320 8.24075587
0.00057075 0.00051004 -0.00071600
-0.00247586 -0.00384303 0.01036837
-1.54956505 -3.56926805 -26.39222546
-0.00053868 0.00004737 -0.00079790
-0.01126078 0.02316495 -0.00528753
-4.23146039 -2.19558001 -26.71610390
0.00149395 0.00007422 -0.00064640
-0.00982800 -0.00271274 0.00640723
-14.23660805 7.26245211 9.00289955
0.00052579 -0.00005661 0.00031302
0.00522403 -0.00734805 0.00535802
-15.16987544 7.24684612 6.45062509
-0.00071390 -0.00037760 0.00072077
0.00226869 -0.00518879 -0.00907851
-11.20704895 6.94649762 -3.58895171
0.00034416 0.00118902 0.00048789
0.00343868 0.00221155 0.00896134
-8.71991622 8.35998365 -3.75190129
-0.00032053 -0.00015059 -0.00012764
-0.00058776 -0.01033061 0.01324189
-1.24689219 -17.42263590 23.46688130
-0.00039845 -0.00013763 -0.00009808
0.00908856 -0.00006339 -0.00494435
-3.42440723 -15.78170531 24.34989048
-0.00143936 -0.00052885 -0.00007182
-0.03381642 0.00365435 0.00879872
-2.72791622 5.80190752 -8.06344447
0.00099524 0.00071968 -0.00019603
0.00064509 -0.00669250 -0.01855705
-3.78398258 7.67671881 -6.27016982
-0.00037619 -0.00072053 -0.00017398
-0.02697866 0.02069658 0.00845907
-21.19737022 30.56394449 2.89439364
-0.00010226 -0.00017809 0.00027481
0.00693583 -0.00438155 0.02863812
-21.34249289 32.02477301 5.50708590
-0.00039529 -0.00087263 0.00064323
0.01395408 -0.01649213 -0.01472593
7.04883370 -0.00412918 6.19770794
-0.00000112 0.00036755 -0.00107614
0.00232149 -0.01923873 0.00431173
7.46654763 1.85910586 8.09077575
0.00044612 0.00013173 -0.00105664
0.00132253 0.00809009 0.01844653
6.86235741 12.78141058 -13.86152979
0.00081797 -0.00008750 -0.00100466
0.00328656 0.00259798 0.00106308
4.23311807 12.03489722 -15.06491285
-0.00030404 -0.00044264 0.00017750
0.04722330 -0.01704001 0.03736878
14.49828883 3.82985865 -3.09495690
0.00016280 -0.00036621 -0.00019690
-0.00064624 0.00201220 0.00480990
15.13566122 1.16441008 -1.91118387
-0.00005515 -0.00031679 0.00018155
0.00854934 0.03426554 -0.00378415
-2.51813561 13.44537681 -0.45262940
-0.00053762 -0.00040774 0.00038510
-0.00576400 -0.00296394 -0.00003314
-5.34188321 12.88349891 0.33103115
0.00067535 -0.00016168 0.00050694
0.00313620 0.00535373 -0.00231648
3.76709694 10.71911607 3.50073710
0.00049430 0.00050624 -0.00012444
0.01234256 0.03519268 -0.00037021
6.35801248 12.22541718 3.45553225
0.00071627 -0.00050050 -0.00062193
0.00873050 -0.00358582 -0.00264542
25.26812311 -13.12067117 -8.52814049
-0.00036157 0.00080860 0.00076065
-0.00326924 -0.00132528 0.00294550
26.32843749 -11.53415746 -10.94290353
0.00000416 0.00025650 0.00005292
-0.02810508 -0.00376927 0.01720731
14.70082275 -4.11209070 -0.93861916
-0.00027121 0.00010657 0.00024860
0.01275022 0.00952817 0.01106784
17.17134963 -5.53100400 -0.86105751
-0.00028280 0.00071960 0.00031713
-0.00328865 0.01614148 0.00846705
12.15524185 7.94722854 11.69972119
0.00039984 -0.00018789 0.00128109
0.00715423 0.00821952 -0.02361737
13.16887609 9.62562255 9.22943650
0.00088048 0.00005032 0.00051342
-0.00401059 -0.00493450 0.01505407
-0.06734695 -14.35636448 17.14074757
-0.00042814 0.00038961 0.00027858
-0.01541712 -0.00628425 -0.00545306
1.60246877 -12.14998317 18.27860970
-0.00077075 0.00019534 0.00010885
-0.00175857 -0.01778257 -0.00785300
-3.90816081 -2.31827439 -13.57171931
0.00034958 0.00036080 -0.00048958
-0.00489630 0.01370403 -0.00553646
-3.17069332 -0.52774964 -15.93377083
0.00032790 -0.00029500 -0.00077912
-0.01865515 -0.01252661 0.02410132
14.01522272 -8.15123013 -10.53126502
-0.00080571 -0.00036032 0.00034062
0.03014296 0.00470907 0.01015571
16.20234728 -6.44728299 -9.23181612
0.00023674 -0.00088616 -0.00016875
-0.00085662 0.00342307 -0.00642043
7.27328417 -5.74446639 9.23327605
0.00020656 0.00021780 -0.00083471
-0.01824360 0.00693270 0.00225446
9.31995977 -5.79415435 7.24909021
-0.00048337 -0.00092930 0.00084587
-0.00077664 -0.00937827 0.00775883
-21.25524732 1.96557358 20.94107617
-0.00108093 -0.00056842 0.00023543
0.00225433 0.00637701 -0.03871066
-21.78304743 0.60275100 23.28445473
-0.00031165 0.00025533 0.00068587
-0.00161785 0.01819900 0.00891332
26.51725903 -2.98465621 -6.24598980
0.00043453 -0.00029811 -0.00066903
0.00008441 0.00192709 -0.00085045
25.14078178 -1.54240586 -8.26333076
-0.00019914 0.00015321 -0.00055844
-0.00109755 0.01119873 -0.00434929
9.06056253 -15.75196820 -7.62380026
0.00071885 0.00042483 -0.00024294
-0.00168170 -0.01608115 0.00102112
8.75683589 -12.86216255 -7.11669392
0.00045201 0.00039061 0.00035523
-0.00122158 0.00478788 0.00584290
-5.70452067 -11.10041487 17.99547772
-0.00089900 -0.00060905 -0.00039821
-0.00310195 -0.00065461 -0.00444827
-7.35131483 -11.32050123 15.58923842
-0.00006186 -0.00029350 0.00025586
0.00106614 0.01155719 -0.01034441
8.84624700 1.72183224 -29.42705235
-0.00179955 -0.00000390 0.00007175
0.00717792 0.01034905 0.00166643
6.74200754 3.20993137 -30.50605339
-0.00105370 -0.00017719 0.00026789
-0.00998234 0.00354234 0.00183804
12.54021635 15.07440961 14.45331431
-0.00051593 0.00096002 -0.00050643
-0.00312939 0.00270664 0.01461420
11.14304317 15.98280318 17.12362842
-0.00063157 -0.00041455 -0.00008879
-0.00112319 -0.01068986 -0.03973497
29.29690039 4.94816652 -4.40353969
0.00083560 -0.00030701 0.00053082
-0.00319478 -0.00552006 -0.00872639
26.88634358 6.50699494 -3.68542210
-0.00042873 0.00009733 -0.00029258
-0.00401727 0.00068234 -0.00122046
-9.95289415 4.87618885 6.84592193
0.00003574 -0.00009566 -0.00023275
-0.00101279 0.00370331 -0.00306398
-8.68529894 13.27564105 2.59414416
-0.00005091 0.00007342 0.00001077
-0.00269604 -0.00100297 -0.00356942
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09550926
0.30661919
408.55470059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3696140995 (a.u.)
total exchange computation time: 2.6560211182 s
-154.0667605639
-931.40055728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3696311284 (a.u.)
total exchange computation time: 2.6536350250 s
-154.0677650720
Anderson extrapolation: theta=1.3885781578 (1.3885781578)
-931.40074347
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3695480989 (a.u.)
total exchange computation time: 2.6528041363 s
-154.0700222963
Anderson extrapolation: theta=0.0615572336 (0.0615572336)
-931.40086102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3694576379 (a.u.)
total exchange computation time: 2.6553161144 s
-154.0708609651
Anderson extrapolation: theta=2.0851192230 (2.0000000000)
-931.40086666
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3692507027 (a.u.)
total exchange computation time: 2.6556639671 s
-154.0726597098
Anderson extrapolation: theta=0.2571532098 (0.2571532098)
-931.40087339
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3691917973 (a.u.)
total exchange computation time: 2.6546289921 s
-154.0730822198
Anderson extrapolation: theta=1.4940804311 (1.4940804311)
-931.40087483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3691215761 (a.u.)
total exchange computation time: 2.6575930119 s
-154.0735000238
Anderson extrapolation: theta=0.3367379099 (0.3367379099)
-931.40087638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.3691164096 (a.u.)
total exchange computation time: 2.6551940441 s
-154.0734403769
Anderson extrapolation: theta=1.1597969485 (1.1597969485)
-931.40087684
-116.010364 22.864900 142.750855
559.110129 1031.391495 -412.706470
443.099765 1054.256395 -269.955615
1175.019142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3691240264 (a.u.)
total exchange computation time: 2.6537508965 s
678.77930836
-1083.48193694
89.89185333
-389.37169150
-174.84928643
78.14673239
551.60419304
0.00000000
-931.40087720
3.92621844 -30.74319160 -2.27796213
0.00001334 -0.00007386 -0.00002436
0.00111332 -0.02477648 0.00677046
-11.63841594 -1.97346143 -9.18847669
0.00025779 0.00029068 -0.00011923
-0.01905672 -0.01488848 -0.01469287
-37.47608219 2.48349691 0.01920290
-0.00005781 0.00008343 0.00017912
0.03408952 -0.01609736 -0.00482254
-11.62757217 -4.05023645 3.82703797
-0.00013455 -0.00022685 0.00000096
-0.00411118 0.02093817 0.01007656
4.42508464 -3.90211357 9.36388158
-0.00034546 -0.00005549 -0.00025773
0.01826924 0.01949021 -0.01255685
-31.91701120 -0.69526777 -0.55881402
-0.00024676 0.00051374 0.00022732
-0.04101288 0.01607416 0.03172492
14.74950136 12.61185960 -13.95265265
-0.00038591 -0.00004212 0.00051080
0.00347923 -0.01014523 0.00503911
-7.69796140 5.97288395 2.51638501
0.00000828 0.00010502 -0.00002688
-0.00141444 0.01035121 0.02989390
7.57889934 12.60761888 -5.71035358
0.00010323 -0.00005062 -0.00021219
-0.04875875 -0.03152922 -0.00197423
8.88458379 9.85401676 -19.01655913
-0.00002381 0.00006261 0.00004728
-0.01256327 -0.00763957 0.00409505
23.36139349 17.32516643 -2.13771846
0.00008964 0.00003985 -0.00009051
-0.00827082 -0.00825491 -0.01090392
2.27697582 16.89916336 -19.44038430
-0.00000637 -0.00009250 -0.00030305
-0.01837922 0.00846217 0.00967941
14.01762262 -1.29964711 -5.47240730
-0.00012419 0.00026756 -0.00026651
0.02137330 -0.00755262 0.01448877
-16.08265434 -1.57092776 3.18864915
0.00005413 0.00045763 -0.00005896
-0.02310911 -0.03977964 0.01361128
-16.89612553 -1.83704526 19.20498365
0.00035382 -0.00022328 -0.00046269
0.05026348 -0.01541012 0.00584639
0.37196070 2.05636996 -5.01774063
0.00018767 -0.00013738 0.00019881
-0.01485410 -0.02449086 -0.00667380
22.53901992 -7.18447966 -8.91693740
0.00031230 -0.00000808 0.00012000
-0.04391913 0.01103135 0.00097257
-0.58505300 -6.43069092 7.24584610
-0.00024487 0.00006821 0.00001645
0.00220027 0.01148096 0.00418146
-1.79641473 -1.40679469 -19.31145634
0.00004545 0.00007351 -0.00014726
-0.01919226 0.01764980 -0.01135234
3.27945293 2.11966613 -9.28866402
-0.00011440 -0.00030930 -0.00003527
-0.00071282 -0.00514417 -0.03157761
-3.79880470 17.93768754 12.25836348
-0.00008746 -0.00021353 0.00028343
0.01691055 -0.04153368 -0.02205492
-3.82772373 4.97936763 -11.12039570
-0.00011546 -0.00004773 0.00055068
0.00700912 0.00767959 -0.03487510
-8.03671822 3.09587821 -8.99207246
0.00013916 -0.00037615 0.00008429
-0.04970436 -0.01950422 0.02309186
2.13949757 27.37458608 8.54475096
0.00036897 0.00017060 0.00009248
0.01129482 0.00386526 -0.02157742
9.90724858 -6.18555515 -1.92343799
-0.00027881 0.00006385 0.00013534
0.00212007 -0.00728194 0.00311204
-8.77276114 0.73215412 5.95503302
0.00004096 0.00019221 0.00013553
-0.01994114 -0.04033179 0.01436462
20.37113298 10.75599426 8.88167815
-0.00009821 0.00005873 0.00013296
0.01542241 0.00053845 -0.00994844
-2.48634334 -2.13678789 -27.19874162
0.00048576 -0.00004334 -0.00005138
0.02816168 -0.01153772 -0.00734484
-14.30913265 6.10664367 7.59155548
-0.00007195 0.00017819 0.00024926
-0.00211658 0.00618676 0.00422037
-9.69353626 7.25299000 -2.57970301
0.00036924 0.00011580 0.00017204
-0.00779201 0.00488704 -0.01406221
-1.75135027 -15.66531230 23.77607533
0.00013480 0.00042360 -0.00053058
0.01483694 0.00148150 -0.00008559
-2.63160594 6.32069192 -6.34212351
-0.00008912 -0.00004382 0.00021267
0.02127903 -0.01404536 0.01108351
-20.10765618 31.07873458 4.40636149
0.00036237 -0.00014744 -0.00043595
-0.05088044 -0.00717768 -0.00398650
7.59495293 0.04235766 7.99319679
0.00006383 0.00015131 -0.00018609
-0.00688307 0.01507254 -0.03186730
5.61839642 11.40891846 -13.79344567
0.00019389 0.00031464 0.00031503
-0.04613448 0.01088103 -0.02932813
15.64397931 2.97255428 -1.96090059
-0.00036317 -0.00039093 0.00004311
0.00281249 -0.02620094 0.00852926
-4.25579699 13.56662599 -1.01099044
-0.00029357 -0.00018237 0.00026461
0.00539919 -0.00962549 -0.00445933
4.57453416 12.51410413 3.21992900
-0.00008728 -0.00045827 -0.00022615
-0.01187437 -0.01396885 -0.00556465
24.89283604 -11.71870693 -9.63317126
0.00033735 0.00014745 -0.00038099
0.02807268 0.00518327 -0.02522709
16.45602263 -3.82925738 -0.43425968
0.00023114 0.00010640 -0.00019073
-0.00568709 -0.01875692 -0.01451882
12.95514000 7.93434705 9.98468637
0.00009074 0.00014096 0.00014882
-0.00214792 -0.00321199 0.01165674
1.60725930 -13.90833672 17.66558681
-0.00004039 -0.00031414 -0.00004637
0.02744514 0.02814544 0.01366988
-4.31646015 -0.70678582 -14.40841244
0.00025643 -0.00016184 0.00048420
0.03204782 0.00535297 -0.02727652
15.11136859 -7.93085842 -8.99935199
0.00022651 0.00065205 0.00012750
-0.03749170 -0.01799673 -0.01194679
8.64015364 -6.79315850 8.66618468
-0.00038180 -0.00041880 0.00027420
0.02156204 -0.00151033 -0.01076901
-21.30023433 2.31236959 22.68804717
0.00018298 0.00007626 0.00014795
-0.00053982 -0.02186257 0.02805797
25.77696715 -3.21495914 -7.91729064
-0.00015723 -0.00015669 -0.00020444
0.00127168 -0.00253980 0.00481557
9.82565313 -14.13376003 -7.85117589
-0.00002223 0.00002003 -0.00040967
0.01561473 0.02526606 -0.00981337
-6.49904147 -12.30662492 16.84427261
-0.00037609 -0.00032184 0.00031928
0.00880566 -0.00356645 0.00762859
8.19362729 3.44911685 -29.39669475
-0.00006196 -0.00018872 0.00021791
-0.01320630 -0.02334739 -0.01078192
10.85070133 15.46095294 15.27570073
0.00000329 -0.00030056 0.00031506
0.01893663 0.02233215 0.01926062
28.57399996 6.03856742 -3.14065355
0.00017398 0.00003449 -0.00034879
-0.00311504 0.01887421 0.00628417
5.42231573 -31.17185574 -3.25542020
0.00055255 -0.00002883 0.00017044
0.00045845 -0.00524698 -0.00290029
3.93664597 -31.71231332 -0.70445888
0.00043218 -0.00007014 0.00028031
0.00863679 0.00822523 -0.00223638
-11.66200819 -3.77545248 -8.67954228
0.00003019 0.00078676 -0.00034486
0.00181865 0.01254144 0.00409696
-12.70231757 -1.98554894 -10.70945263
0.00028251 0.00074660 0.00044586
0.01195691 0.00822884 0.01099817
-38.96242745 2.11047192 0.90269253
-0.00006947 -0.00018830 -0.00021656
-0.02607894 -0.00816738 0.01782804
-37.77857963 4.03067724 -0.89238915
-0.00014234 -0.00083958 0.00041396
-0.00496923 0.01247872 -0.00918164
-10.77599814 -5.64930824 3.64043841
0.00014786 0.00105410 0.00022827
0.01310927 -0.00825446 -0.00631742
-10.39756814 -2.68594572 3.62506491
-0.00073925 -0.00029161 0.00004393
-0.00242101 -0.01359516 0.00030913
5.27678274 -2.48447064 8.40367149
-0.00067971 -0.00055283 -0.00026546
-0.01589098 -0.01909206 0.02494408
4.79185292 -3.59320632 11.16635538
0.00026137 -0.00014838 -0.00060446
-0.00920301 0.00236354 -0.00930881
-33.36441715 -1.80065686 -0.77339070
0.00002595 0.00033841 0.00015050
0.00171914 -0.00455084 0.00039871
-32.70876680 0.58127626 0.62357600
-0.00021667 0.00040356 0.00119918
0.01931010 -0.01641364 -0.02587534
14.64973280 12.74065214 -15.80265790
-0.00016472 -0.00036179 -0.00128487
0.00389464 -0.00040251 0.00774315
16.37707669 11.89338479 -13.43701018
-0.00140470 0.00036412 -0.00028319
-0.00609507 0.00811424 -0.01074391
-8.65801620 7.01676836 1.41205068
-0.00031413 0.00015039 0.00066974
-0.00913675 0.01931646 -0.00806637
-7.45588894 4.62350377 1.38442402
-0.00027178 0.00077219 0.00102664
0.01301095 -0.03109009 -0.02149178
6.11412033 12.31105531 -6.83107602
0.00003622 -0.00010711 -0.00039940
0.01447211 0.00583133 0.01114061
8.81806472 13.60365728 -6.65432363
0.00009212 0.00037283 -0.00092987
0.01508358 0.01378709 -0.00707849
8.50381473 8.85640306 -20.50801594
-0.00035668 0.00008809 0.00072490
0.01124246 0.00905112 0.00184893
10.31561427 10.98344497 -19.26869483
-0.00143616 0.00081822 -0.00064085
0.00646213 -0.00627733 -0.00855898
23.90422600 15.59478874 -2.64080927
-0.00063938 -0.00103056 0.00008387
-0.00312841 0.01647855 0.00423795
24.95674946 18.23663850 -2.40989025
0.00024674 -0.00049556 0.00028564
-0.01132798 0.00824580 0.00652074
1.44204840 16.75623909 -21.08202367
-0.00085035 -0.00062999 -0.00115464
0.00508725 0.01519949 -0.00957354
2.74560651 15.17308549 -19.12780299
0.00047597 0.00056081 0.00008345
0.02000446 -0.01512805 0.00670334
12.92317337 -0.73260073 -6.79798148
-0.00029601 0.00115969 0.00005611
-0.01641447 -0.00902316 -0.00173450
13.27297386 -1.33672274 -3.78294142
0.00085442 -0.00010770 -0.00022600
-0.00523528 0.01039343 -0.01931138
-17.33081072 -3.04303906 3.23821097
0.00068696 0.00046311 -0.00093611
0.00724495 0.03295247 -0.00707340
-14.60950004 -2.60283438 3.57037538
-0.00074368 -0.00016306 0.00040108
0.01185661 0.00479006 -0.00697675
-16.05633410 -0.30450602 19.94523133
-0.00015634 -0.00049023 0.00059173
-0.01764237 -0.00775746 -0.00160335
-15.49246103 -3.11156311 19.39951211
0.00009570 -0.00013748 0.00006761
-0.02616290 0.02117921 -0.00029103
-0.92395695 0.66046195 -5.22369019
-0.00017139 0.00023096 0.00016912
0.02262533 0.00388058 0.00765090
-0.77328487 3.43873205 -4.96261362
-0.00007487 -0.00029021 -0.00032447
-0.00911684 0.02386758 0.00445672
23.26572076 -8.79006525 -9.28807560
-0.00002737 0.00068143 0.00039065
0.01816898 -0.00894086 0.00030048
23.62676907 -5.77982132 -8.60764800
0.00044100 -0.00017664 -0.00056481
0.02323776 0.00206376 0.00335269
0.45148078 -5.83330106 5.87273984
-0.00015435 0.00001829 -0.00020397
0.00330991 -0.00717907 -0.01654236
-0.05736480 -5.16785128 8.46300942
0.00076493 -0.00058988 0.00010901
-0.00293768 -0.01024500 0.01184600
-1.03551163 -2.91775559 -18.81422312
0.00081678 -0.00021583 0.00014401
0.02496285 -0.02869004 0.01479269
-3.01394164 -2.07431537 -20.51626260
0.00045505 0.00079102 -0.00004848
-0.01021907 0.00835318 -0.00285720
2.67528350 2.23141073 -11.07510882
-0.00035897 -0.00018215 -0.00027832
0.01056178 0.00637650 0.02845939
1.98840080 2.77520125 -8.16316561
0.00020434 0.00057538 0.00077396
-0.00340406 -0.00518321 0.00551190
-2.37517465 16.65470978 12.57068033
-0.00062635 0.00006736 -0.00067751
-0.01639097 0.02201060 -0.00216764
-3.48864473 19.32688196 13.32737387
-0.00015520 -0.00061917 -0.00033964
0.00550535 0.01455284 0.02251708
-4.57208219 6.27907385 -12.21900390
-0.00109855 0.00079866 -0.00025417
0.00069485 -0.00327990 0.01592326
-3.19945842 3.78483469 -12.37295444
-0.00056085 -0.00027559 -0.00148599
-0.00346613 -0.00514712 0.00965571
-7.87703152 2.15805629 -7.41697066
-0.00036406 -0.00007150 -0.00024211
0.00543774 0.00807122 -0.00949774
-6.42513789 3.60282376 -9.43871994
0.00093060 -0.00008434 -0.00023614
0.04107106 0.01239020 -0.01100633
2.22414564 28.33825134 6.95261735
0.00088328 -0.00027930 0.00072492
0.00575525 -0.01029308 0.00848778
0.51414583 27.82380075 9.11579829
0.00036986 0.00073628 0.00032971
-0.02042865 0.00479735 0.01210892
10.71220332 -7.29957752 -0.67886299
-0.00011580 -0.00120159 -0.00008347
0.00204395 0.00842301 0.00001870
8.73992571 -7.32278093 -2.75727305
-0.00026094 0.00012499 -0.00055519
-0.00257945 0.00005038 -0.00006844
-7.00649007 0.36006801 6.28023921
0.00053690 0.00066968 -0.00008471
0.01253600 0.00272599 0.00206656
-9.41963165 -0.81870918 6.85825461
-0.00017858 -0.00008893 0.00008693
0.00012602 0.03539696 -0.01402581
21.74684529 10.05601795 9.91693395
-0.00010960 -0.00019014 -0.00066308
-0.00952387 0.01366111 -0.00254059
20.96112580 12.41913602 8.23033360
0.00055685 0.00048466 -0.00066945
-0.00432919 -0.00857882 0.01241881
-1.55799035 -3.56784769 -26.40435600
-0.00057819 0.00013421 -0.00081512
-0.00807997 0.01934652 -0.00314112
-4.20935232 -2.19454979 -26.72560351
0.00143464 0.00006307 -0.00061555
-0.01920252 -0.00274746 0.00869294
-14.22856110 7.26137773 9.00775903
0.00054706 -0.00008561 0.00033525
0.00518871 -0.00684350 0.00552232
-15.18051441 7.24102305 6.46115846
-0.00070713 -0.00039539 0.00068130
0.00104242 -0.00351560 -0.01024506
-11.20178118 6.96440065 -3.58135872
0.00035272 0.00119554 0.00052274
0.00075001 0.00098182 0.00809582
-8.72474222 8.35740823 -3.75341009
-0.00031888 -0.00019003 -0.00007482
0.00139590 -0.00897743 0.01261439
-1.25259047 -17.42470228 23.46525866
-0.00036083 -0.00013355 -0.00011803
0.00932806 0.00205913 -0.00482503
-3.44703393 -15.78952601 24.34908285
-0.00154732 -0.00051085 -0.00004600
-0.01902722 0.00515211 0.00383976
-2.71296780 5.81249758 -8.06695361
0.00099850 0.00069269 -0.00026934
0.00094713 -0.00651666 -0.01732652
-3.79045216 7.66654504 -6.27252034
-0.00048990 -0.00063220 -0.00013861
-0.02868073 0.02254229 0.00885402
-21.19869158 30.56113881 2.89939337
-0.00007449 -0.00019670 0.00038840
0.00665509 -0.00472627 0.02696492
-21.34799463 32.01117823 5.51628317
-0.00033227 -0.00094328 0.00057795
0.01689436 -0.01809067 -0.01723160
7.04888797 0.00079450 6.18169791
0.00001071 0.00028817 -0.00104829
0.00347081 -0.01961664 0.00932379
7.47327997 1.86132977 8.07549145
0.00045156 0.00016642 -0.00098005
0.00134100 0.00888904 0.01904446
6.87472764 12.78017770 -13.87656709
0.00082872 -0.00007817 -0.00099958
0.00197908 0.00196831 0.00142367
4.23000456 12.02773544 -15.06110520
-0.00010963 -0.00051145 0.00033091
0.04794099 -0.01664307 0.03772441
14.50071111 3.82442714 -3.09776307
0.00015836 -0.00035751 -0.00017887
-0.00153108 0.00224825 0.00401923
15.13509589 1.16070819 -1.90857659
-0.00002155 -0.00017876 0.00016575
0.00790012 0.03330019 -0.00394894
-2.52637648 13.43916990 -0.44685393
-0.00055749 -0.00041949 0.00038467
-0.00396483 -0.00278665 -0.00017868
-5.33165686 12.88123774 0.33856432
0.00068371 -0.00014156 0.00050000
0.00095779 0.00449627 -0.00108158
3.77488969 10.72778813 3.49885909
0.00054143 0.00064301 -0.00012563
0.01072455 0.03175331 -0.00020975
6.36902405 12.21779975 3.44612223
0.00074037 -0.00051386 -0.00063382
0.00306665 -0.00295034 -0.00317637
25.26259933 -13.10858285 -8.51664048
-0.00037381 0.00080360 0.00077128
-0.00272154 -0.00111799 0.00225740
26.32763871 -11.53042547 -10.94158249
-0.00010618 0.00024031 0.00012091
-0.02590968 -0.00415370 0.01607616
14.69714528 -4.11020021 -0.93455094
-0.00021450 0.00014617 0.00029493
0.01501031 0.00985948 0.01160658
17.16700689 -5.51971537 -0.85604116
-0.00029217 0.00077654 0.00034917
-0.00129919 0.01172914 0.00722097
12.16145869 7.94466211 11.71821388
0.00043253 -0.00015379 0.00117542
0.00884580 0.00847362 -0.02810791
13.18196039 9.62622616 9.23759917
0.00086362 0.00003254 0.00057421
-0.00424362 -0.00377119 0.01469959
-0.07424142 -14.35071291 17.14475921
-0.00048934 0.00036251 0.00025645
-0.01454323 -0.00698042 -0.00538019
1.59085356 -12.14759799 18.28000184
-0.00077578 0.00011646 0.00007511
-0.00070344 -0.02082765 -0.00866243
-3.90306713 -2.31244243 -13.57923271
0.00033181 0.00040591 -0.00050619
-0.00380164 0.00837828 -0.00259061
-3.16634651 -0.53255852 -15.94471903
0.00024558 -0.00034660 -0.00067220
-0.02163984 -0.01273234 0.02823451
14.00406073 -8.15649069 -10.52584451
-0.00067739 -0.00033899 0.00038612
0.03267091 0.00573223 0.01211614
16.20587215 -6.46047054 -9.23454404
0.00024079 -0.00085979 -0.00019788
0.00283677 0.00948658 -0.00784263
7.27582346 -5.74098699 9.22082446
0.00012636 0.00024802 -0.00082166
-0.02101408 0.00786007 0.00413517
9.31268539 -5.80838122 7.26201603
-0.00048063 -0.00096294 0.00086850
0.00211757 -0.00708960 0.00332051
-21.27139220 1.95724275 20.94342134
-0.00107182 -0.00054194 0.00007825
0.00220299 0.00658508 -0.03822577
-21.78777169 0.60713858 23.29501594
-0.00031739 0.00033081 0.00072196
-0.00119164 0.01875004 0.00875140
26.52377954 -2.98906882 -6.25605129
0.00043523 -0.00028930 -0.00067014
0.00026060 0.00238624 0.00030844
25.13776105 -1.53976448 -8.27184062
-0.00020119 0.00019366 -0.00057418
0.00009295 0.00860102 -0.00335672
9.07129372 -15.74608851 -7.62741305
0.00070668 0.00035020 -0.00023684
-0.00427589 -0.02045273 0.00196630
8.76357867 -12.85615664 -7.11118644
0.00044929 0.00040620 0.00037726
-0.00010961 0.00284447 0.00494250
-5.71810077 -11.10957066 17.98936822
-0.00090564 -0.00060396 -0.00040760
-0.00014751 0.00314786 -0.00014582
-7.35221011 -11.32454951 15.59275932
-0.00005830 -0.00024639 0.00021244
0.00067582 0.01150270 -0.01090860
8.81947372 1.72209086 -29.42592500
-0.00176445 0.00002747 0.00007945
0.01000501 0.00500645 0.00209999
6.72589610 3.20738204 -30.50197876
-0.00108649 -0.00015980 0.00028145
-0.00606775 0.00497151 0.00479957
12.53238150 15.08889291 14.44616575
-0.00052536 0.00097026 -0.00044604
-0.00148760 0.00230443 0.01494684
11.13353524 15.97625740 17.12107890
-0.00063361 -0.00045663 -0.00024602
0.00012211 -0.00990907 -0.03723010
29.30933644 4.94339215 -4.39584477
0.00082160 -0.00033017 0.00049288
-0.00365585 -0.00581497 -0.00984632
26.87978946 6.50847579 -3.68984821
-0.00043661 0.00009695 -0.00029632
0.00016153 -0.00086695 -0.00061187
-9.95236072 4.87476386 6.84242250
0.00003535 -0.00009428 -0.00023378
-0.00118877 0.00400277 -0.00270866
-8.68606724 13.27674064 2.59429948
-0.00005153 0.00007318 0.00000997
-0.00268754 -0.00111356 -0.00329021
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09552423
0.30535297
406.86752860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3747580999 (a.u.)
total exchange computation time: 2.6537029743 s
-154.0866327357
-931.39797765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3747640617 (a.u.)
total exchange computation time: 2.6524322033 s
-154.0877549746
Anderson extrapolation: theta=1.3556107175 (1.3556107175)
-931.39815433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3746688668 (a.u.)
total exchange computation time: 2.6570570469 s
-154.0901104259
Anderson extrapolation: theta=0.0504303602 (0.0504303602)
-931.39826110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3745821397 (a.u.)
total exchange computation time: 2.6530499458 s
-154.0909014128
Anderson extrapolation: theta=1.8797900756 (1.8797900756)
-931.39826492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3743935169 (a.u.)
total exchange computation time: 2.6534941196 s
-154.0925230084
Anderson extrapolation: theta=0.2038621005 (0.2038621005)
-931.39826869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3743462948 (a.u.)
total exchange computation time: 2.6543190479 s
-154.0928552405
Anderson extrapolation: theta=1.9098368569 (1.9098368569)
-931.39826935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3742727169 (a.u.)
total exchange computation time: 2.6535120010 s
-154.0932997897
Anderson extrapolation: theta=0.2878565637 (0.2878565637)
-931.39827019
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3742685423 (a.u.)
total exchange computation time: 2.6583569050 s
-154.0932480380
Anderson extrapolation: theta=1.3681804391 (1.3681804391)
-931.39827041
-71.687045 22.918814 142.678377
559.088316 1031.396920 -412.706712
487.401271 1054.315734 -270.028335
1192.500300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3742752152 (a.u.)
total exchange computation time: 2.6549320221 s
678.85678522
-1083.65752192
89.89108980
-389.25182317
-174.86252532
78.24486364
551.60419304
0.00000000
-931.39827061
3.92642290 -30.74439506 -2.27830140
0.00001448 -0.00008700 -0.00002077
0.00329046 -0.02634085 0.00717900
-11.63462262 -1.96915865 -9.19032175
0.00024847 0.00028376 -0.00012628
-0.01719451 -0.01200886 -0.01272180
-37.47681791 2.48468627 0.02187105
-0.00003997 0.00007387 0.00017742
0.03530555 -0.02109626 -0.00175645
-11.62960634 -4.05355840 3.82709118
-0.00013801 -0.00021503 0.00000639
-0.00934918 0.02500352 0.01107361
4.41997327 -3.90287080 9.35996716
-0.00033644 -0.00004608 -0.00026423
0.01679782 0.01710972 -0.01272163
-31.92087085 -0.68749971 -0.55528182
-0.00026784 0.00052242 0.00024409
-0.04093434 0.01768009 0.03349979
14.74372606 12.61118861 -13.94497120
-0.00038625 -0.00004628 0.00050976
-0.00478811 -0.00601338 -0.00907889
-7.69784266 5.97449921 2.51609717
0.00000742 0.00011214 -0.00000957
-0.00193581 0.01734453 0.03741186
7.58025978 12.60673790 -5.71354399
0.00007866 -0.00006635 -0.00021394
-0.04678751 -0.02960541 -0.00485503
8.88417823 9.85492642 -19.01583411
-0.00003074 0.00005870 0.00005033
-0.01440847 -0.00756461 0.00775366
23.36270619 17.32573238 -2.13911810
0.00008519 0.00003441 -0.00009612
-0.00902560 -0.01291273 -0.01092845
2.27680936 16.89780855 -19.44489274
-0.00001686 -0.00008748 -0.00029980
-0.02239394 0.01105367 0.00294707
14.01584218 -1.29566289 -5.47634909
-0.00011303 0.00026370 -0.00025993
0.02202214 -0.00744230 0.01110153
-16.08193151 -1.56421675 3.18781727
0.00004250 0.00043757 -0.00005212
-0.02213761 -0.03823492 0.01298263
-16.89062437 -1.84045384 19.19806589
0.00037930 -0.00023096 -0.00045954
0.04884462 -0.01445781 0.00640322
0.37471852 2.05421479 -5.01478424
0.00017980 -0.00014969 0.00019540
-0.01578508 -0.02338089 -0.00659543
22.54353502 -7.18455834 -8.91513361
0.00028899 -0.00000123 0.00012080
-0.04673132 0.01562852 0.00212133
-0.58871760 -6.42962355 7.24610903
-0.00024351 0.00007409 0.00001814
0.00308161 0.01139278 0.00238509
-1.79580708 -1.40562391 -19.31370899
0.00003710 0.00008165 -0.00015172
-0.01324293 0.01400770 -0.00599768
3.27773417 2.11500680 -9.28931491
-0.00011554 -0.00031156 -0.00005111
-0.00371540 -0.00364136 -0.03001513
-3.80005141 17.93432438 12.26252983
-0.00007964 -0.00023542 0.00027094
0.01351342 -0.04359014 -0.02652512
-3.82942862 4.97868133 -11.11226996
-0.00011206 -0.00004364 0.00052951
0.00623292 0.00822250 -0.04748049
-8.03482262 3.09016067 -8.99071910
0.00011568 -0.00038491 0.00009462
-0.04159436 -0.01456030 0.01710908
2.14507562 27.37716004 8.54605497
0.00037413 0.00017201 0.00008278
0.00879105 0.00159266 -0.01614359
9.90307457 -6.18462551 -1.92139592
-0.00027753 0.00005902 0.00013746
0.00285491 -0.01149902 0.00515147
-8.77222371 0.73488174 5.95712145
0.00003126 0.00017123 0.00014306
-0.01778281 -0.04125051 0.01491243
20.36971935 10.75687726 8.88363422
-0.00009033 0.00006033 0.00012697
0.01521820 0.00567379 -0.01336720
-2.47894831 -2.13748253 -27.19954071
0.00050153 -0.00004810 -0.00005633
0.03316344 -0.00696386 -0.01190340
-14.31022003 6.10934036 7.59531063
-0.00007269 0.00018080 0.00025167
-0.00075430 0.00397382 0.00515040
-9.68802768 7.25474586 -2.57717671
0.00036532 0.00011815 0.00016536
-0.00744326 0.00423965 -0.01190338
-1.74927107 -15.65895262 23.76811623
0.00013872 0.00042342 -0.00052945
0.00040529 -0.00218624 0.00448608
-2.63286059 6.31998041 -6.33889066
-0.00007804 -0.00005136 0.00021782
0.02179213 -0.01527781 0.00891669
-20.10241686 31.07649527 4.39980686
0.00033567 -0.00015082 -0.00043680
-0.05294397 -0.00595860 0.00066749
7.59588383 0.04468542 7.99028245
0.00005998 0.00015896 -0.00020367
-0.00807536 0.01466805 -0.03648200
5.62112678 11.41368003 -13.78883327
0.00017047 0.00032022 0.00029993
-0.04491933 0.01083429 -0.02942820
15.63854263 2.96658922 -1.96022108
-0.00036123 -0.00040393 0.00004771
0.00473221 -0.02432550 0.00935821
-4.26017974 13.56385335 -1.00703842
-0.00029068 -0.00018713 0.00026198
0.00586564 -0.00891201 -0.00577756
4.57317923 12.50717626 3.21651533
-0.00009134 -0.00046436 -0.00022906
-0.00392719 -0.00972990 -0.00577917
24.89800455 -11.71647521 -9.63898346
0.00035096 0.00015004 -0.00039320
0.02487650 0.00487523 -0.02223655
16.45946776 -3.82773375 -0.43717658
0.00022716 0.00009801 -0.00019794
-0.00979649 -0.01387434 -0.01352368
12.95649280 7.93644903 9.98696358
0.00008929 0.00013886 0.00015583
-0.00350453 -0.00495168 0.01563112
1.60675932 -13.91294020 17.66494398
-0.00002690 -0.00029893 -0.00003928
0.02500640 0.03100324 0.01390537
-4.31249011 -0.70919273 -14.40125472
0.00027319 -0.00015753 0.00046842
0.03315346 0.01140084 -0.03408544
15.11462162 -7.92114708 -8.99748556
0.00020558 0.00064092 0.00012137
-0.04388018 -0.02530635 -0.01189187
8.63450977 -6.79944627 8.67025619
-0.00037085 -0.00042033 0.00026948
0.02104451 -0.00447382 -0.00761276
-21.29749170 2.31342922 22.69037472
0.00018266 0.00006485 0.00016188
-0.00070537 -0.02250804 0.02608397
25.77461364 -3.21731933 -7.92033862
-0.00015690 -0.00015737 -0.00020256
0.00000406 -0.00009608 0.00250130
9.82537993 -14.13336217 -7.85735878
-0.00001395 0.00003447 -0.00041463
0.01657966 0.03089551 -0.00948468
-6.50464892 -12.31146621 16.84909123
-0.00037227 -0.00032453 0.00032200
0.00606851 -0.00692605 0.00293458
8.19264691 3.44619592 -29.39346772
-0.00007038 -0.00019960 0.00021153
-0.01952067 -0.01894772 -0.01403706
10.85082376 15.45653063 15.28050091
0.00001233 -0.00028917 0.00032407
0.01621033 0.02199161 0.01575962
28.57659771 6.03915762 -3.14586119
0.00017149 0.00004461 -0.00034548
-0.00659814 0.02045528 0.00661162
5.43061799 -31.17244897 -3.25295242
0.00055016 -0.00004901 0.00016009
-0.00162586 -0.00463313 -0.00216603
3.94339333 -31.71311332 -0.70032275
0.00046665 -0.00003481 0.00026871
0.00823702 0.00906938 -0.00344053
-11.66149959 -3.76326682 -8.68458964
0.00003764 0.00083202 -0.00032647
0.00182694 0.00961416 0.00490673
-12.69771346 -1.97409783 -10.70242768
0.00032719 0.00078021 0.00048463
0.00990996 0.00822714 0.00797726
-38.96426869 2.10739714 0.89999038
-0.00017702 -0.00022196 -0.00014325
-0.02656735 -0.00830846 0.01805768
-37.78086700 4.01846596 -0.88646116
-0.00016441 -0.00077738 0.00036985
-0.00583269 0.01796757 -0.01240721
-10.77337847 -5.63374973 3.64366888
0.00020758 0.00100652 0.00020119
0.01612376 -0.01503291 -0.00693770
-10.40873100 -2.69073641 3.62573328
-0.00074509 -0.00034131 0.00004445
-0.00043927 -0.01073407 -0.00005133
5.26610012 -2.49334812 8.40045399
-0.00074193 -0.00062584 -0.00016717
-0.01456343 -0.01664512 0.02316753
4.79549142 -3.59535957 11.15700327
0.00022385 -0.00013835 -0.00063900
-0.00916125 0.00254365 -0.00760138
-33.36397516 -1.79572020 -0.77112099
0.00003158 0.00031958 0.00015202
0.00103409 -0.00466602 0.00034391
-32.71142506 0.58682674 0.64077085
-0.00013617 0.00033288 0.00108963
0.02009110 -0.01818827 -0.02775091
14.64738138 12.73521299 -15.82169367
-0.00014936 -0.00036423 -0.00123138
0.00362285 -0.00079490 0.01843976
16.35581945 11.89909517 -13.44158726
-0.00141245 0.00039005 -0.00032064
0.00230293 0.00457901 -0.00758601
-8.66300808 7.01961612 1.42184953
-0.00035271 0.00023082 0.00063471
-0.00974881 0.02005452 -0.00908014
-7.45956697 4.63413392 1.39916506
-0.00021623 0.00062925 0.00092541
0.01418211 -0.03887873 -0.02806128
6.11510716 12.30962730 -6.83672560
0.00009588 -0.00008340 -0.00035239
0.01473140 0.00577713 0.01186824
8.81990869 13.60967223 -6.66848863
0.00014915 0.00042490 -0.00095378
0.01283426 0.01170259 -0.00462352
8.49880905 8.85800181 -20.49708575
-0.00031264 0.00012088 0.00072573
0.01031324 0.00699585 -0.00144225
10.29426995 10.99552595 -19.27856986
-0.00140351 0.00079666 -0.00067668
0.00951875 -0.00427953 -0.00897972
23.89453936 15.57983523 -2.63942143
-0.00065261 -0.00095438 0.00010272
-0.00334512 0.02081564 0.00499242
24.96010350 18.22945784 -2.40540590
0.00020292 -0.00046169 0.00031115
-0.01012491 0.00833130 0.00597063
1.42944909 16.74725496 -21.09963670
-0.00082198 -0.00056706 -0.00118053
0.00880016 0.01560509 -0.00309512
2.75335907 15.18103403 -19.12634585
0.00055822 0.00049327 0.00011110
0.02025751 -0.01793439 0.00683329
12.91823018 -0.71548187 -6.79719304
-0.00036163 0.00112177 0.00005191
-0.01570423 -0.00954096 -0.00032077
13.28562981 -1.33801970 -3.78692315
0.00083015 -0.00006502 -0.00030047
-0.00664829 0.01049793 -0.01714525
-17.32028431 -3.03508259 3.22395258
0.00071053 0.00059464 -0.00096452
0.00429274 0.03142892 -0.00683226
-14.62029188 -2.60513354 3.57617784
-0.00069114 -0.00014367 0.00037319
0.01386304 0.00470480 -0.00667542
-16.05921976 -0.31209724 19.95405818
-0.00022785 -0.00052150 0.00058432
-0.01736162 -0.00754945 -0.00202602
-15.49182721 -3.11297629 19.40051740
-0.00000870 -0.00005314 0.00006619
-0.02494235 0.02010654 -0.00040569
-0.92583444 0.66404524 -5.22091896
-0.00007819 0.00024498 0.00019993
0.02299616 0.00298249 0.00743309
-0.77468729 3.43511028 -4.96734416
-0.00011068 -0.00019265 -0.00030608
-0.00841021 0.02388833 0.00454603
23.26586690 -8.78011773 -9.28220669
0.00005186 0.00063314 0.00038867
0.02061819 -0.01469802 -0.00126798
23.63409616 -5.78240774 -8.61601745
0.00053657 -0.00016626 -0.00055055
0.02354339 0.00301770 0.00362834
0.44926699 -5.83324666 5.86917333
-0.00014285 -0.00001228 -0.00026922
0.00231580 -0.00778844 -0.01539458
-0.04598089 -5.17701338 8.46500759
0.00075335 -0.00063056 0.00015860
-0.00272902 -0.00966985 0.01242831
-1.02249504 -2.92187220 -18.81160960
0.00091165 -0.00032108 0.00019898
0.02147834 -0.02282939 0.01211455
-3.00742902 -2.06219412 -20.51707735
0.00040833 0.00082049 -0.00006525
-0.01264870 0.00607410 -0.00535369
2.67022257 2.22887384 -11.07841152
-0.00031515 -0.00015582 -0.00015887
0.01089095 0.00651251 0.03001078
1.99136160 2.78367313 -8.15138737
0.00019600 0.00055057 0.00079035
-0.00067955 -0.00696266 0.00251392
-2.38507221 16.65639459 12.56045132
-0.00068810 0.00015365 -0.00068415
-0.01383321 0.02023225 -0.00108457
-3.49080402 19.31804043 13.32296931
-0.00013021 -0.00055076 -0.00024095
0.00672565 0.01893192 0.02578878
-4.58853913 6.29095319 -12.22232856
-0.00108814 0.00077251 -0.00017739
0.00439988 -0.00951776 0.02166273
-3.20797744 3.78054308 -12.39494836
-0.00058073 -0.00028480 -0.00143266
-0.00626446 0.00064239 0.01645063
-7.88232584 2.15723116 -7.42089341
-0.00034017 -0.00004190 -0.00027458
0.00625726 0.00641486 -0.00639365
-6.40992034 3.60193839 -9.44259932
0.00108019 -0.00003990 -0.00027541
0.03215209 0.00935959 -0.00821757
2.23757118 28.33374647 6.96375129
0.00090681 -0.00031585 0.00075039
0.00576248 -0.00759761 0.00397859
0.51906776 27.83499189 9.12111496
0.00029121 0.00075484 0.00037726
-0.01807105 0.00428927 0.01117034
10.71052888 -7.31734324 -0.68011443
-0.00011119 -0.00116111 -0.00008928
0.00021289 0.01139371 -0.00286340
8.73593260 -7.32090459 -2.76560303
-0.00026918 0.00012770 -0.00055369
-0.00145641 0.00127735 0.00080379
-6.99805243 0.37019679 6.27903188
0.00058133 0.00068036 -0.00007638
0.00921468 0.00249946 0.00201088
-9.42230656 -0.81895842 6.85912875
-0.00017557 0.00005767 0.00002872
0.00134745 0.03636252 -0.01446941
21.74490948 10.05358444 9.90690984
-0.00014451 -0.00013605 -0.00067019
-0.00756666 0.01281471 -0.00093825
20.96934593 12.42614308 8.22067243
0.00053567 0.00044107 -0.00061496
-0.00604108 -0.01275755 0.01425274
-1.56691083 -3.56524165 -26.41667905
-0.00060391 0.00020395 -0.00082293
-0.00451026 0.01478929 -0.00068311
-4.18842109 -2.19368796 -26.73457035
0.00133771 0.00005188 -0.00057566
-0.02824646 -0.00272732 0.01083106
-14.22019615 7.25988394 9.01295696
0.00056810 -0.00011247 0.00035801
0.00510929 -0.00630598 0.00562098
-15.19108949 7.23498453 6.47106395
-0.00070529 -0.00040644 0.00063737
-0.00014087 -0.00189504 -0.01125864
-11.19646745 6.98236384 -3.57326957
0.00034994 0.00119710 0.00055382
-0.00210902 -0.00021884 0.00711685
-8.72948267 8.35428262 -3.75414581
-0.00030886 -0.00022355 -0.00002510
0.00351180 -0.00742921 0.01172108
-1.25771707 -17.42664247 23.46334032
-0.00032244 -0.00012071 -0.00013742
0.00946285 0.00422850 -0.00466284
-3.47082674 -15.79703095 24.34851055
-0.00159622 -0.00048658 -0.00003996
-0.00491258 0.00673086 -0.00088273
-2.69796133 5.82268826 -8.07152462
0.00100291 0.00066696 -0.00033612
0.00121324 -0.00607694 -0.01536220
-3.79867946 7.65775279 -6.27432823
-0.00060873 -0.00053860 -0.00010189
-0.02949071 0.02327691 0.00912307
-21.19960506 30.55804347 2.90604567
-0.00004847 -0.00021699 0.00049419
0.00608426 -0.00520614 0.02481805
-21.35246098 31.99647475 5.52442437
-0.00025824 -0.00101951 0.00050338
0.01934296 -0.01922607 -0.01927184
7.04915496 0.00451594 6.16625930
0.00002688 0.00020752 -0.00100087
0.00444744 -0.01986329 0.01388606
7.48009448 1.86409846 8.06137431
0.00045710 0.00020363 -0.00090139
0.00136894 0.00932493 0.01946087
6.88721915 12.77906544 -13.89151713
0.00083384 -0.00007183 -0.00099290
0.00052548 0.00113800 0.00184712
4.22982916 12.01955366 -15.05498556
0.00008584 -0.00057801 0.00048425
0.04774275 -0.01593863 0.03733713
14.50303954 3.81913343 -3.10032292
0.00015042 -0.00034784 -0.00016398
-0.00235507 0.00248497 0.00326715
15.13501473 1.15904714 -1.90621133
0.00000891 -0.00004669 0.00014937
0.00700833 0.03134889 -0.00407171
-2.53486033 13.43279221 -0.44108940
-0.00056969 -0.00043053 0.00038370
-0.00200567 -0.00261892 -0.00029237
-5.32137181 12.87925213 0.34603121
0.00068308 -0.00012503 0.00049828
-0.00126643 0.00359489 0.00023970
3.78333971 10.73840623 3.49696822
0.00058129 0.00076412 -0.00012594
0.00879040 0.02753482 0.00005622
6.38022357 12.21000150 3.43651753
0.00074153 -0.00052466 -0.00064776
-0.00249796 -0.00233783 -0.00364315
25.25690876 -13.09656305 -8.50500212
-0.00038387 0.00079984 0.00077880
-0.00220062 -0.00072572 0.00142396
26.32525202 -11.52694804 -10.93927621
-0.00020639 0.00022265 0.00018338
-0.02314137 -0.00449384 0.01450384
14.69438773 -4.10770548 -0.92977140
-0.00014970 0.00018695 0.00034306
0.01671051 0.01009877 0.01195564
17.16258452 -5.50770792 -0.85058226
-0.00029297 0.00081423 0.00037587
0.00091011 0.00672213 0.00584722
12.16821766 7.94261499 11.73498394
0.00047132 -0.00011876 0.00105303
0.01014260 0.00867222 -0.03180310
13.19478462 9.62659865 9.24666273
0.00084594 0.00001982 0.00063324
-0.00440868 -0.00245429 0.01419821
-0.08202718 -14.34548914 17.14844111
-0.00054568 0.00033286 0.00023497
-0.01303356 -0.00753465 -0.00513454
1.57919524 -12.14648926 18.28086310
-0.00077644 0.00002667 0.00003862
0.00038356 -0.02312886 -0.00920023
-3.89820643 -2.30609700 -13.58690488
0.00031876 0.00042831 -0.00051035
-0.00258731 0.00258307 0.00055254
-3.16332592 -0.53814771 -15.95393685
0.00015253 -0.00039871 -0.00055018
-0.02390677 -0.01277290 0.03149392
13.99490101 -8.16139995 -10.51968144
-0.00053978 -0.00031373 0.00043835
0.03468854 0.00663626 0.01345073
16.20957086 -6.47307669 -9.23775261
0.00026029 -0.00080871 -0.00023286
0.00670924 0.01551788 -0.00928111
7.27707488 -5.73702588 9.20862631
0.00003612 0.00028116 -0.00080159
-0.02315850 0.00836156 0.00568731
9.30554079 -5.82304259 7.27514535
-0.00046567 -0.00098673 0.00087229
0.00520647 -0.00455735 -0.00146861
-21.28740207 1.94931549 20.94342380
-0.00106296 -0.00051416 -0.00007371
0.00213656 0.00700996 -0.03616061
-21.79256898 0.61267528 23.30611350
-0.00032158 0.00040770 0.00075743
-0.00086096 0.01888965 0.00860991
26.53031602 -2.99333518 -6.26609388
0.00043668 -0.00027864 -0.00066654
0.00044655 0.00283386 0.00145000
25.13474602 -1.53659597 -8.28055619
-0.00019822 0.00022307 -0.00058575
0.00136225 0.00579618 -0.00230722
9.08176285 -15.74146229 -7.63090533
0.00068459 0.00025894 -0.00022698
-0.00653415 -0.02421879 0.00285609
8.77031472 -12.84997641 -7.10537606
0.00045118 0.00041366 0.00039549
0.00103139 0.00080379 0.00397877
-5.73168992 -11.11853354 17.98324979
-0.00089997 -0.00058292 -0.00039904
0.00292553 0.00715016 0.00433363
-7.35306397 -11.32789284 15.59561169
-0.00005587 -0.00020010 0.00016739
0.00051575 0.01115720 -0.01114244
8.79331360 1.72265631 -29.42466896
-0.00171798 0.00003650 0.00008881
0.01274240 -0.00058778 0.00248477
6.70941278 3.20513739 -30.49760999
-0.00110354 -0.00013677 0.00030670
-0.00227688 0.00630173 0.00756200
12.52445548 15.10351745 14.43993324
-0.00052786 0.00097882 -0.00038469
0.00026468 0.00188347 0.01508081
11.12403479 15.96910432 17.11624769
-0.00063041 -0.00049495 -0.00039116
0.00144616 -0.00884982 -0.03381380
29.32154843 4.93826140 -4.38875331
0.00080548 -0.00035408 0.00045098
-0.00423423 -0.00588996 -0.01066179
26.87324523 6.50990350 -3.69431182
-0.00042775 0.00009040 -0.00029762
0.00417799 -0.00233941 -0.00002125
-9.95183367 4.87336037 6.83890853
0.00003490 -0.00009280 -0.00023469
-0.00133270 0.00430976 -0.00237356
-8.68684489 13.27783635 2.59444334
-0.00005215 0.00007291 0.00000925
-0.00268083 -0.00121304 -0.00297859
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09552575
0.30274486
403.39234201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.152 s
total exchange = -52.3810658223 (a.u.)
total exchange computation time: 2.6525280476 s
-154.1105334960
-931.39421008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.3810205179 (a.u.)
total exchange computation time: 2.6545989513 s
-154.1120652017
Anderson extrapolation: theta=1.3534350908 (1.3534350908)
-931.39438984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.3808543639 (a.u.)
total exchange computation time: 2.6532499790 s
-154.1149517144
Anderson extrapolation: theta=0.0498943656 (0.0498943656)
-931.39449815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.3807627998 (a.u.)
total exchange computation time: 2.6579627991 s
-154.1157548079
Anderson extrapolation: theta=1.8534518958 (1.8534518958)
-931.39450192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.3805660608 (a.u.)
total exchange computation time: 2.6537699699 s
-154.1173828448
Anderson extrapolation: theta=0.2009634362 (0.2009634362)
-931.39450546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.3805163613 (a.u.)
total exchange computation time: 2.6518220901 s
-154.1177191471
Anderson extrapolation: theta=1.9061464197 (1.9061464197)
-931.39450604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.150 s
total exchange = -52.3804372520 (a.u.)
total exchange computation time: 2.6534619331 s
-154.1181785556
Anderson extrapolation: theta=0.2864136274 (0.2864136274)
-931.39450672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.3804309568 (a.u.)
total exchange computation time: 2.6524329185 s
-154.1181360814
Anderson extrapolation: theta=1.3615111523 (1.3615111523)
-931.39450688
-71.735315 22.976693 142.602426
559.068783 1031.405140 -412.704572
487.333468 1054.381833 -270.102146
1192.547747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.3804346709 (a.u.)
total exchange computation time: 2.8229351044 s
678.95228417
-1083.87102914
89.88880850
-389.10552789
-174.87860797
78.36405073
551.60419304
0.00000000
-931.39450700
3.92665275 -30.74580173 -2.27858528
0.00001673 -0.00010091 -0.00001703
0.00547525 -0.02771602 0.00738020
-11.63096195 -1.96494851 -9.19226496
0.00024019 0.00027842 -0.00013222
-0.01497788 -0.00877849 -0.01038539
-37.47728127 2.48571288 0.02452565
-0.00002181 0.00006176 0.00017743
0.03529949 -0.02595987 0.00175868
-11.63171262 -4.05668746 3.82722981
-0.00014418 -0.00020133 0.00001234
-0.01461534 0.02829713 0.01203798
4.41499149 -3.90349605 9.35595460
-0.00032828 -0.00003806 -0.00027073
0.01494022 0.01407801 -0.01255931
-31.92504628 -0.67959525 -0.55149119
-0.00028875 0.00053176 0.00026161
-0.04041075 0.01863508 0.03462009
14.73791381 12.61047124 -13.93735979
-0.00039097 -0.00004828 0.00050181
-0.01354836 -0.00176285 -0.02185077
-7.69773884 5.97624827 2.51609795
0.00000625 0.00012270 0.00001124
-0.00262346 0.02369125 0.04350061
7.58125926 12.60562852 -5.71677186
0.00005531 -0.00008098 -0.00021714
-0.04401857 -0.02731353 -0.00758232
8.88366151 9.85577773 -19.01504927
-0.00003852 0.00005491 0.00005529
-0.01584466 -0.00718509 0.01152710
23.36394925 17.32619871 -2.14060206
0.00008028 0.00002671 -0.00010169
-0.01005799 -0.01703832 -0.01074522
2.27647014 16.89653902 -19.44937845
-0.00002930 -0.00008130 -0.00029984
-0.02597947 0.01295133 -0.00307025
14.01423164 -1.29173609 -5.48020525
-0.00010159 0.00025995 -0.00025525
0.02247663 -0.00713497 0.00709325
-16.08137947 -1.55780072 3.18708556
0.00003152 0.00041843 -0.00004560
-0.02052818 -0.03617413 0.01237770
-16.88474639 -1.84397396 19.19119753
0.00040385 -0.00023805 -0.00045616
0.04659226 -0.01313894 0.00671284
0.37735455 2.05187925 -5.01187873
0.00017140 -0.00016117 0.00019205
-0.01684221 -0.02127026 -0.00642678
22.54768960 -7.18451645 -8.91331344
0.00026443 0.00000797 0.00012217
-0.04877210 0.02013926 0.00322742
-0.59235842 -6.42846830 7.24639036
-0.00024168 0.00007994 0.00001887
0.00406885 0.01137482 0.00044962
-1.79530160 -1.40434506 -19.31600792
0.00003192 0.00008772 -0.00015336
-0.00690377 0.00957643 -0.00039397
3.27598673 2.11031938 -9.29019736
-0.00011814 -0.00031305 -0.00006593
-0.00641200 -0.00214051 -0.02760236
-3.80119386 17.93062493 12.26649155
-0.00007366 -0.00025798 0.00025633
0.00975057 -0.04412938 -0.03028000
-3.83108543 4.97805846 -11.10451052
-0.00010905 -0.00003932 0.00050222
0.00545619 0.00855884 -0.05862684
-8.03324790 3.08433080 -8.98923376
0.00009660 -0.00039100 0.00010172
-0.03259582 -0.00912665 0.01050654
2.15072149 27.37974629 8.54723445
0.00037781 0.00017223 0.00007606
0.00551267 -0.00074101 -0.00998351
9.89892257 -6.18378457 -1.91931411
-0.00027591 0.00005207 0.00014056
0.00345184 -0.01551235 0.00690530
-8.77182346 0.73729113 5.95932492
0.00002282 0.00014999 0.00015076
-0.01503546 -0.04135997 0.01503551
20.36842313 10.75780403 8.88548717
-0.00008266 0.00006445 0.00011923
0.01460011 0.01035432 -0.01670153
-2.47129744 -2.13823091 -27.20043164
0.00051957 -0.00005035 -0.00006364
0.03697678 -0.00178744 -0.01649137
-14.31131323 6.11206770 7.59910553
-0.00007273 0.00018230 0.00025453
0.00056465 0.00185460 0.00596307
-9.68257652 7.25653442 -2.57474225
0.00036158 0.00012010 0.00015987
-0.00711937 0.00336733 -0.00944660
-1.74718874 -15.65260980 23.76019175
0.00013552 0.00042139 -0.00052610
-0.01284385 -0.00570931 0.00853221
-2.63394711 6.31915104 -6.33558902
-0.00006693 -0.00005929 0.00022172
0.02140123 -0.01555548 0.00625810
-20.09758599 31.07420999 4.39325738
0.00030813 -0.00015364 -0.00043527
-0.05417905 -0.00500946 0.00530762
7.59675243 0.04712634 7.98708667
0.00005558 0.00016647 -0.00022345
-0.00903382 0.01456270 -0.04041843
5.62351060 11.41852518 -13.78444791
0.00014795 0.00032575 0.00028494
-0.04267254 0.01064599 -0.02884923
15.63314246 2.96043649 -1.95946937
-0.00035827 -0.00041570 0.00005271
0.00677734 -0.02146863 0.01008888
-4.26451725 13.56101195 -1.00313098
-0.00028757 -0.00019153 0.00025866
0.00622278 -0.00816527 -0.00715178
4.57179399 12.50017333 3.21305709
-0.00009129 -0.00046805 -0.00023216
0.00411456 -0.00460111 -0.00624959
24.90336497 -11.71420587 -9.64496720
0.00036279 0.00015240 -0.00040370
0.02109824 0.00432949 -0.01862115
16.46283731 -3.82631716 -0.44019781
0.00022117 0.00009229 -0.00020457
-0.01349456 -0.00837614 -0.01226517
12.95781856 7.93851282 9.98936138
0.00008722 0.00013585 0.00016472
-0.00452415 -0.00675082 0.01892887
1.60645225 -13.91730451 17.66440843
-0.00001482 -0.00028248 -0.00003218
0.02197272 0.03296506 0.01369035
-4.30826430 -0.71151169 -14.39435996
0.00029034 -0.00015007 0.00044933
0.03352701 0.01759181 -0.04014622
15.11753614 -7.91163096 -8.99571087
0.00018151 0.00062613 0.00011543
-0.04972005 -0.03217760 -0.01119286
8.62902826 -6.80576854 8.67426896
-0.00036037 -0.00042331 0.00026652
0.01969932 -0.00709327 -0.00389967
-21.29475450 2.31431520 22.69290349
0.00018228 0.00005316 0.00017441
-0.00079359 -0.02295530 0.02265498
25.77226016 -3.21968025 -7.92336730
-0.00015723 -0.00015676 -0.00020186
-0.00127525 0.00245229 0.00021901
9.82523463 -14.13272597 -7.86361485
-0.00000528 0.00005160 -0.00041940
0.01712140 0.03571637 -0.00903771
-6.51020955 -12.31636094 16.85393248
-0.00036990 -0.00032890 0.00032221
0.00315019 -0.01007106 -0.00210765
8.19151594 3.44312882 -29.39034898
-0.00008195 -0.00020817 0.00020355
-0.02546136 -0.01437621 -0.01697644
10.85107125 15.45227797 15.28542268
0.00001992 -0.00027802 0.00033107
0.01330384 0.02135063 0.01147730
28.57914455 6.03990564 -3.15101783
0.00016730 0.00005545 -0.00034206
-0.00966816 0.02169692 0.00667996
5.43882061 -31.17332615 -3.25061739
0.00053928 -0.00006671 0.00015271
-0.00369991 -0.00402777 -0.00144968
3.95064550 -31.71335749 -0.69639749
0.00049942 0.00000364 0.00025265
0.00780518 0.00974889 -0.00442131
-11.66087902 -3.75049194 -8.68933629
0.00004504 0.00086461 -0.00030468
0.00179654 0.00634134 0.00575813
-12.69250201 -1.96214251 -10.69491384
0.00036285 0.00081381 0.00051020
0.00754870 0.00822011 0.00453931
-38.96773814 2.10381316 0.89839491
-0.00028415 -0.00025552 -0.00007047
-0.02587147 -0.00812112 0.01757134
-37.78351182 4.00735584 -0.88129356
-0.00018993 -0.00069369 0.00031306
-0.00665998 0.02300124 -0.01539275
-10.76977065 -5.61911252 3.64647417
0.00027927 0.00093208 0.00017171
0.01896979 -0.02140858 -0.00749392
-10.41992079 -2.69618494 3.62639850
-0.00074242 -0.00037860 0.00004344
0.00174611 -0.00752142 -0.00044445
5.25452495 -2.50324572 8.39865634
-0.00079789 -0.00068747 -0.00007728
-0.01283162 -0.01352543 0.02083391
4.79856847 -3.59735693 11.14718530
0.00018661 -0.00012759 -0.00066611
-0.00906696 0.00272399 -0.00566641
-33.36346979 -1.79106950 -0.76883021
0.00003441 0.00030031 0.00015335
0.00035323 -0.00476736 0.00031094
-32.71285201 0.59126253 0.65626495
-0.00005339 0.00025628 0.00097369
0.02043147 -0.01930747 -0.02900259
14.64525198 12.72972512 -15.83959935
-0.00013539 -0.00036793 -0.00113723
0.00321394 -0.00101429 0.02764650
16.33470334 11.90508617 -13.44662925
-0.00138458 0.00040095 -0.00034488
0.01133881 0.00075750 -0.00428363
-8.66859743 7.02369294 1.43109190
-0.00039278 0.00031299 0.00059649
-0.00986835 0.02016630 -0.00962657
-7.46237583 4.64238135 1.41218634
-0.00015651 0.00045709 0.00079929
0.01505153 -0.04539619 -0.03367790
6.11699683 12.30855334 -6.84164782
0.00015555 -0.00006014 -0.00030324
0.01447451 0.00561072 0.01219455
8.82253923 13.61640438 -6.68293698
0.00019651 0.00046799 -0.00096716
0.01034635 0.00938843 -0.00192703
8.49443544 8.86002931 -20.48624395
-0.00027268 0.00014485 0.00071276
0.00924798 0.00473973 -0.00490629
10.27350899 11.00734464 -19.28899521
-0.00135895 0.00078307 -0.00071410
0.01229513 -0.00237287 -0.00933831
23.88464771 15.56615743 -2.63772762
-0.00066631 -0.00086166 0.00012427
-0.00336101 0.02457170 0.00555637
24.96283703 18.22278777 -2.40055564
0.00016421 -0.00042741 0.00033439
-0.00882218 0.00844887 0.00540518
1.41738911 16.73922721 -21.11743943
-0.00077892 -0.00050265 -0.00118100
0.01227562 0.01592525 0.00286164
2.76235313 15.18788344 -19.12446993
0.00064105 0.00041582 0.00013888
0.02028765 -0.01997782 0.00676543
12.91232454 -0.69894774 -6.79642426
-0.00042376 0.00108148 0.00005386
-0.01471068 -0.01017755 0.00127564
13.29787831 -1.33867327 -3.79195564
0.00079995 -0.00002205 -0.00036515
-0.00813391 0.01053684 -0.01451312
-17.30949481 -3.02519996 3.20927546
0.00072126 0.00071868 -0.00099194
0.00095909 0.02929094 -0.00659068
-14.63023411 -2.60714436 3.58157120
-0.00063091 -0.00012451 0.00034650
0.01561818 0.00467147 -0.00639130
-16.06316945 -0.32015114 19.96276086
-0.00029789 -0.00055140 0.00057545
-0.01692567 -0.00708518 -0.00231531
-15.49272200 -3.11315723 19.40149782
-0.00010673 0.00002556 0.00006453
-0.02304334 0.01841451 -0.00040691
-0.92630258 0.66781132 -5.21769219
0.00001574 0.00025482 0.00022973
0.02298274 0.00183456 0.00715381
-0.77660513 3.43295253 -4.97179610
-0.00014258 -0.00009649 -0.00028741
-0.00720906 0.02318404 0.00459593
23.26727664 -8.77107100 -9.27641548
0.00014046 0.00056245 0.00038060
0.02275165 -0.01990782 -0.00268129
23.64286613 -5.78480922 -8.62416453
0.00063244 -0.00015294 -0.00053537
0.02338442 0.00350212 0.00380308
0.44719513 -5.83366958 5.86466333
-0.00013571 -0.00004538 -0.00032916
0.00118001 -0.00841448 -0.01394972
-0.03476422 -5.18676811 8.46776744
0.00074270 -0.00066899 0.00021024
-0.00248681 -0.00914063 0.01285044
-1.00816213 -2.92738793 -18.80825363
0.00099116 -0.00040076 0.00024225
0.01744388 -0.01617642 0.00906492
-3.00169160 -2.04970062 -20.51822022
0.00035203 0.00084064 -0.00009200
-0.01491244 0.00379086 -0.00773721
2.66582911 2.22673607 -11.07987497
-0.00027051 -0.00012887 -0.00003484
0.01095825 0.00667879 0.03070298
1.99428075 2.79171829 -8.13945507
0.00019867 0.00051842 0.00079452
0.00198761 -0.00877478 -0.00047082
-2.39581756 16.65931936 12.55015584
-0.00073823 0.00023155 -0.00068628
-0.01070809 0.01789814 0.00004085
-3.49255113 19.31035917 13.32014524
-0.00010072 -0.00046647 -0.00013045
0.00771388 0.02232678 0.02830257
-4.60472641 6.30224922 -12.22432560
-0.00106351 0.00072270 -0.00007887
0.00765535 -0.01486723 0.02656318
-3.21688039 3.77629084 -12.41593409
-0.00061113 -0.00027175 -0.00135280
-0.00861693 0.00574253 0.02263980
-7.88723667 2.15679918 -7.42520801
-0.00031296 -0.00001957 -0.00029357
0.00706479 0.00451608 -0.00290137
-6.39273231 3.60162664 -9.44698233
0.00119152 -0.00000839 -0.00030282
0.02234661 0.00606765 -0.00519983
2.25134988 28.32877598 6.97512906
0.00093040 -0.00034084 0.00075665
0.00578391 -0.00463996 -0.00091556
0.52288219 27.84644591 9.12711622
0.00022373 0.00077091 0.00042029
-0.01496297 0.00357802 0.00989265
10.70886748 -7.33441068 -0.68154135
-0.00011380 -0.00110885 -0.00010633
-0.00148627 0.01418447 -0.00548132
8.73185023 -7.31894997 -2.77388376
-0.00027284 0.00013537 -0.00054856
-0.00033267 0.00247954 0.00170804
-6.98905006 0.38047876 6.27794778
0.00061166 0.00069012 -0.00006834
0.00562803 0.00227742 0.00192604
-9.42489889 -0.81697914 6.85911612
-0.00016825 0.00020653 -0.00003037
0.00223872 0.03650396 -0.01445293
21.74250994 10.05193630 9.89682824
-0.00017092 -0.00008581 -0.00067042
-0.00536087 0.01177834 0.00082655
20.97719582 12.43236827 8.21188476
0.00050782 0.00038166 -0.00055348
-0.00759122 -0.01632614 0.01584236
-1.57610773 -3.56172924 -26.42904396
-0.00061435 0.00025364 -0.00082012
-0.00059732 0.00953276 0.00206155
-4.16922098 -2.19299328 -26.74287340
0.00120554 0.00004092 -0.00052760
-0.03645112 -0.00264160 0.01269495
-14.21151807 7.25800368 9.01849937
0.00058872 -0.00013709 0.00038102
0.00498199 -0.00574426 0.00564320
-15.20167320 7.22882986 6.48027944
-0.00070810 -0.00041108 0.00058971
-0.00123342 -0.00037846 -0.01206916
-11.19128296 7.00031362 -3.56474425
0.00033532 0.00119387 0.00058077
-0.00504927 -0.00136336 0.00607669
-8.73400789 8.35070169 -3.75416318
-0.00028998 -0.00025040 0.00002046
0.00572892 -0.00571228 0.01057995
-1.26226372 -17.42832351 23.46113620
-0.00028361 -0.00009908 -0.00015610
0.00954449 0.00635786 -0.00448548
-3.49492063 -15.80412339 24.34788415
-0.00158995 -0.00045587 -0.00005235
0.00798472 0.00830298 -0.00518559
-2.68288051 5.83250651 -8.07703712
0.00100828 0.00064348 -0.00039356
0.00141446 -0.00541739 -0.01275733
-3.80871414 7.65038710 -6.27557700
-0.00072890 -0.00044436 -0.00006431
-0.02932973 0.02285482 0.00927192
-21.20014567 30.55462907 2.91421898
-0.00002537 -0.00023953 0.00059026
0.00522127 -0.00582663 0.02220953
-21.35574187 31.98059297 5.53138448
-0.00017524 -0.00109944 0.00042144
0.02128665 -0.01990113 -0.02083454
7.04969452 0.00702005 6.15167171
0.00004669 0.00012617 -0.00093589
0.00524715 -0.01995779 0.01792310
7.48699289 1.86743864 8.04844986
0.00046273 0.00024189 -0.00082135
0.00138572 0.00940201 0.01971736
6.89974287 12.77802293 -13.90635398
0.00083280 -0.00006918 -0.00098435
-0.00103540 0.00015749 0.00233726
4.23257974 12.01039507 -15.04657767
0.00027855 -0.00064107 0.00063443
0.04659187 -0.01493001 0.03617729
14.50522365 3.81399200 -3.10268254
0.00013929 -0.00033723 -0.00015203
-0.00309434 0.00270735 0.00258283
15.13536308 1.15930735 -1.90409561
0.00003524 0.00007539 0.00013258
0.00588051 0.02841296 -0.00414702
-2.54346711 13.42625401 -0.43534279
-0.00057366 -0.00044090 0.00038232
0.00006035 -0.00245953 -0.00038665
-5.31116437 12.87748683 0.35351278
0.00067335 -0.00011222 0.00050205
-0.00349582 0.00267672 0.00160377
3.79232846 10.75071183 3.49508079
0.00061252 0.00086625 -0.00012489
0.00649715 0.02245459 0.00045816
6.39126999 12.20205998 3.42668957
0.00072054 -0.00053305 -0.00066342
-0.00777800 -0.00176839 -0.00402545
25.25108332 -13.08458773 -8.49327649
-0.00039185 0.00079802 0.00078263
-0.00170781 -0.00016430 0.00044990
26.32144709 -11.52374602 -10.93608104
-0.00029408 0.00020371 0.00023848
-0.01978397 -0.00477472 0.01246769
14.69265430 -4.10459183 -0.92425914
-0.00007917 0.00022849 0.00039223
0.01781551 0.01023770 0.01211308
17.15821793 -5.49528849 -0.84476501
-0.00028437 0.00083041 0.00039676
0.00329908 0.00119995 0.00437610
12.17559822 7.94109935 11.74980491
0.00051463 -0.00008304 0.00091720
0.01106017 0.00881067 -0.03469108
13.20733866 9.62682072 9.25659643
0.00082772 0.00001272 0.00068997
-0.00450978 -0.00102268 0.01357101
-0.09061173 -14.34072714 17.15180834
-0.00059468 0.00030119 0.00021480
-0.01095357 -0.00796816 -0.00474105
1.56756043 -12.14679801 18.28116051
-0.00077262 -0.00007097 0.00000050
0.00148424 -0.02466297 -0.00945988
-3.89350430 -2.29959327 -13.59454319
0.00031083 0.00042640 -0.00050144
-0.00129540 -0.00351684 0.00380651
-3.16177049 -0.54451970 -15.96122452
0.00005163 -0.00045065 -0.00041659
-0.02548693 -0.01265167 0.03389946
13.98786721 -8.16590249 -10.51269403
-0.00039506 -0.00028506 0.00049474
0.03615249 0.00739803 0.01415123
16.21368077 -6.48473181 -9.24152998
0.00029559 -0.00073358 -0.00027366
0.01057178 0.02125993 -0.01068969
7.27690700 -5.73255233 9.19677671
-0.00006142 0.00031533 -0.00077592
-0.02458686 0.00836686 0.00687932
9.29871527 -5.83798326 7.28818467
-0.00043785 -0.00099985 0.00085607
0.00841079 -0.00186477 -0.00646813
-21.30328100 1.94181784 20.94121011
-0.00105431 -0.00048423 -0.00021433
0.00209823 0.00764332 -0.03267285
-21.79741904 0.61936965 23.31773873
-0.00032465 0.00048433 0.00079237
-0.00064024 0.01862065 0.00849732
26.53687987 -2.99742788 -6.27604760
0.00043887 -0.00026618 -0.00065839
0.00062525 0.00326313 0.00254128
25.13181448 -1.53307223 -8.28941316
-0.00019002 0.00024086 -0.00059299
0.00265347 0.00291184 -0.00123762
9.09183153 -15.73832035 -7.63422258
0.00065419 0.00015402 -0.00021369
-0.00834922 -0.02714160 0.00365025
8.77711399 -12.84374692 -7.09932183
0.00045767 0.00041272 0.00040972
0.00214446 -0.00126278 0.00298820
-5.74509977 -11.12705820 17.97739695
-0.00088172 -0.00054544 -0.00037215
0.00600585 0.01119778 0.00883102
-7.35388622 -11.33055238 15.59778117
-0.00005364 -0.00015579 0.00012207
0.00057828 0.01053052 -0.01104456
8.76793442 1.72318574 -29.42326064
-0.00166066 0.00002256 0.00009965
0.01531281 -0.00623507 0.00281820
6.69278993 3.20327894 -30.49277777
-0.00110556 -0.00010856 0.00034268
0.00128958 0.00750867 0.01004971
12.51654568 15.11825742 14.43462496
-0.00052301 0.00098562 -0.00032320
0.00210877 0.00144737 0.01502022
11.11462297 15.96140888 17.10934416
-0.00062166 -0.00052837 -0.00052041
0.00283680 -0.00750799 -0.02945594
29.33350093 4.93276969 -4.38231526
0.00078674 -0.00037782 0.00040640
-0.00493849 -0.00572812 -0.01116046
26.86695706 6.51118784 -3.69877672
-0.00040304 0.00007807 -0.00029660
0.00791616 -0.00369945 0.00052129
-9.95131377 4.87198001 6.83538182
0.00003439 -0.00009120 -0.00023548
-0.00148814 0.00459535 -0.00206614
-8.68763188 13.27892784 2.59457683
-0.00005278 0.00007261 0.00000859
-0.00267422 -0.00131002 -0.00265320
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09551596
0.29899104
398.39056903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.3886552706 (a.u.)
total exchange computation time: 2.6726760864 s
-154.1385084507
-931.39007972
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.3885085000 (a.u.)
total exchange computation time: 2.6766529083 s
-154.1407904441
Anderson extrapolation: theta=1.3653531848 (1.3653531848)
-931.39027011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.241 s
total exchange = -52.3881886886 (a.u.)
total exchange computation time: 2.6729688644 s
-154.1447604724
Anderson extrapolation: theta=0.0558212713 (0.0558212713)
-931.39038729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.3880757074 (a.u.)
total exchange computation time: 2.6748709679 s
-154.1456782809
Anderson extrapolation: theta=2.0351637912 (2.0000000000)
-931.39039227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.241 s
total exchange = -52.3878199714 (a.u.)
total exchange computation time: 2.6738460064 s
-154.1476446949
Anderson extrapolation: theta=0.2492704297 (0.2492704297)
-931.39039785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.3877477109 (a.u.)
total exchange computation time: 2.6740961075 s
-154.1481089071
Anderson extrapolation: theta=1.7462348254 (1.7462348254)
-931.39039901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.3876422480 (a.u.)
total exchange computation time: 2.6768331528 s
-154.1486897122
Anderson extrapolation: theta=0.3101593719 (0.3101593719)
-931.39040035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.3876311687 (a.u.)
total exchange computation time: 2.6726419926 s
-154.1486515633
Anderson extrapolation: theta=1.2223293505 (1.2223293505)
-931.39040071
-71.777533 23.037312 142.524168
559.052150 1031.415606 -412.699661
487.274617 1054.452918 -270.175493
1192.603163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1322444565
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3876340030 (a.u.)
total exchange computation time: 2.6587970257 s
679.05955685
-1084.11223711
89.88596807
-388.93949195
-174.89656284
78.49966334
551.60419304
0.00000000
-931.39040098
3.92692483 -30.74742222 -2.27881223
0.00002010 -0.00011546 -0.00001323
0.00761364 -0.02888535 0.00739696
-11.62741683 -1.96080610 -9.19428829
0.00023314 0.00027481 -0.00013688
-0.01246774 -0.00526385 -0.00775216
-37.47747230 2.48653922 0.02719381
-0.00000397 0.00004726 0.00017930
0.03408693 -0.03042867 0.00551313
-11.63393166 -4.05959821 3.82746131
-0.00015300 -0.00018619 0.00001876
-0.01967622 0.03056681 0.01293872
4.41012497 -3.90401268 9.35184514
-0.00032117 -0.00003177 -0.00027706
0.01268724 0.01037693 -0.01202868
-31.92953348 -0.67154703 -0.54743347
-0.00030930 0.00054142 0.00027953
-0.03948614 0.01893350 0.03507673
14.73199705 12.60974026 -13.92991696
-0.00040024 -0.00004810 0.00048766
-0.02249848 0.00247478 -0.03315635
-7.69765527 5.97818011 2.51643433
0.00000469 0.00013621 0.00003471
-0.00341055 0.02886710 0.04776650
7.58191915 12.60430843 -5.72005823
0.00003355 -0.00009437 -0.00022168
-0.04059778 -0.02475773 -0.01005888
8.88302255 9.85657361 -19.01417550
-0.00004690 0.00005136 0.00006218
-0.01671960 -0.00659848 0.01529618
23.36511473 17.32653359 -2.14216891
0.00007479 0.00001703 -0.00010712
-0.01132436 -0.02058350 -0.01037583
2.27593049 16.89536941 -19.45388783
-0.00004344 -0.00007436 -0.00030274
-0.02902493 0.01404671 -0.00823773
14.01279450 -1.28786433 -5.48400668
-0.00008995 0.00025641 -0.00025276
0.02276859 -0.00665631 0.00259900
-16.08098579 -1.55166375 3.18644933
0.00002154 0.00040048 -0.00003937
-0.01828040 -0.03364002 0.01183453
-16.87850897 -1.84759545 19.18438096
0.00042703 -0.00024438 -0.00045270
0.04354460 -0.01145775 0.00675409
0.37986066 2.04937962 -5.00902280
0.00016245 -0.00017133 0.00018881
-0.01797582 -0.01823964 -0.00617559
22.55146793 -7.18431920 -8.91146838
0.00023905 0.00001939 0.00012409
-0.04993150 0.02428232 0.00421876
-0.59596785 -6.42722529 7.24667516
-0.00023931 0.00008580 0.00001859
0.00513310 0.01142130 -0.00155198
-1.79484937 -1.40299233 -19.31830988
0.00003002 0.00009139 -0.00015213
-0.00049313 0.00469746 0.00519314
3.27418984 2.10561544 -9.29129275
-0.00012203 -0.00031378 -0.00007931
-0.00870481 -0.00069752 -0.02444249
-3.80226109 17.92658503 12.27021967
-0.00006969 -0.00028037 0.00024002
0.00565573 -0.04292728 -0.03315432
-3.83270014 4.97750162 -11.09720337
-0.00010643 -0.00003487 0.00046960
0.00474122 0.00874693 -0.06820653
-8.03192465 3.07843052 -8.98766736
0.00008222 -0.00039424 0.00010534
-0.02331661 -0.00346721 0.00356576
2.15640989 27.38232682 8.54833690
0.00037969 0.00017121 0.00007264
0.00179253 -0.00322219 -0.00334763
9.89479721 -6.18306331 -1.91717903
-0.00027402 0.00004314 0.00014449
0.00390466 -0.01922534 0.00834940
-8.77153921 0.73938143 5.96164438
0.00001591 0.00012890 0.00015842
-0.01181766 -0.04064632 0.01472566
20.36723955 10.75881069 8.88721127
-0.00007541 0.00007085 0.00010983
0.01357963 0.01455315 -0.01988298
-2.46336131 -2.13899307 -27.20144979
0.00053915 -0.00004981 -0.00007326
0.03917140 0.00389889 -0.02094455
-14.31240208 6.11480936 7.60294642
-0.00007213 0.00018275 0.00025776
0.00179572 -0.00011885 0.00662773
-9.67718028 7.25834896 -2.57238066
0.00035798 0.00012156 0.00015570
-0.00687963 0.00228192 -0.00677800
-1.74520549 -15.64631103 23.75233308
0.00012591 0.00041758 -0.00052083
-0.02452433 -0.00909938 0.01197798
-2.63486853 6.31820167 -6.33223910
-0.00005625 -0.00006712 0.00022416
0.02012646 -0.01487080 0.00321859
-20.09317309 31.07188607 4.38674885
0.00028015 -0.00015605 -0.00043135
-0.05459464 -0.00436822 0.00992502
7.59755134 0.04967960 7.98357907
0.00005074 0.00017399 -0.00024506
-0.00981566 0.01468423 -0.04364534
5.62556522 11.42345246 -13.78028510
0.00012684 0.00033112 0.00027043
-0.03939803 0.01025751 -0.02755261
15.62779458 2.95411814 -1.95863982
-0.00035423 -0.00042576 0.00005805
0.00891973 -0.01763838 0.01070107
-4.26880675 13.55810757 -0.99927871
-0.00028430 -0.00019553 0.00025463
0.00648414 -0.00741665 -0.00852243
4.57044050 12.49313490 3.20955063
-0.00008715 -0.00046890 -0.00023556
0.01200211 0.00125973 -0.00700324
24.90888815 -11.71190314 -9.65109461
0.00037251 0.00015443 -0.00041220
0.01672631 0.00356885 -0.01439977
16.46610276 -3.82496519 -0.44331367
0.00021340 0.00008952 -0.00021050
-0.01670235 -0.00238476 -0.01079405
12.95910942 7.94052453 9.99190521
0.00008471 0.00013191 0.00017513
-0.00522277 -0.00856864 0.02153438
1.60631469 -13.92141451 17.66397849
-0.00000442 -0.00026524 -0.00002530
0.01846293 0.03406152 0.01305906
-4.30377984 -0.71369492 -14.38777491
0.00030752 -0.00013945 0.00042733
0.03326703 0.02371777 -0.04538814
15.12006707 -7.90236309 -8.99402252
0.00015464 0.00060801 0.00011001
-0.05476914 -0.03831645 -0.00990618
8.62369872 -6.81214554 8.67825165
-0.00035078 -0.00042751 0.00026556
0.01757022 -0.00922652 0.00020169
-21.29202343 2.31502408 22.69560705
0.00018186 0.00004129 0.00018487
-0.00083424 -0.02319476 0.01801047
25.76989685 -3.22202225 -7.92639429
-0.00015820 -0.00015484 -0.00020230
-0.00250169 0.00501230 -0.00195912
9.82522141 -14.13181422 -7.86994064
0.00000354 0.00007093 -0.00042390
0.01720711 0.03947350 -0.00847611
-6.51574588 -12.32133336 16.85875747
-0.00036904 -0.00033480 0.00031979
0.00019844 -0.01284249 -0.00729530
8.19018854 3.43995080 -29.38736121
-0.00009644 -0.00021440 0.00019416
-0.03088357 -0.00985013 -0.01955411
10.85142137 15.44819002 15.29043299
0.00002598 -0.00026728 0.00033566
0.01025438 0.02041750 0.00639375
28.58161681 6.04082103 -3.15612293
0.00016167 0.00006683 -0.00033866
-0.01223747 0.02256213 0.00652321
5.44679648 -31.17445017 -3.24837120
0.00052007 -0.00008198 0.00014815
-0.00570435 -0.00344836 -0.00078093
3.95837602 -31.71300419 -0.69274318
0.00053038 0.00004450 0.00023306
0.00734768 0.01025160 -0.00517100
-11.66014835 -3.73732843 -8.69373004
0.00005223 0.00088327 -0.00027936
0.00172439 0.00278989 0.00663601
-12.68682793 -1.94968341 -10.68712180
0.00038835 0.00084738 0.00052105
0.00493434 0.00820847 0.00077611
-38.97279316 2.09973146 0.89787633
-0.00038614 -0.00028766 -0.00000103
-0.02405339 -0.00761005 0.01641731
-37.78656481 3.99765538 -0.87706931
-0.00021865 -0.00059091 0.00024490
-0.00740107 0.02730922 -0.01797309
-10.76500023 -5.60578736 3.64882018
0.00036188 0.00083309 0.00014015
0.02146642 -0.02704896 -0.00795616
-10.43100356 -2.70209444 3.62703649
-0.00073052 -0.00040221 0.00004078
0.00407663 -0.00403496 -0.00086023
5.24216339 -2.51397224 8.39813552
-0.00084601 -0.00073504 0.00000198
-0.01072357 -0.00975787 0.01796634
4.80108984 -3.59918735 11.13702006
0.00014985 -0.00011610 -0.00068495
-0.00892734 0.00289943 -0.00355846
-33.36294277 -1.78671097 -0.76652036
0.00003451 0.00028067 0.00015461
-0.00030356 -0.00484390 0.00030350
-32.71302680 0.59451505 0.66998159
0.00002990 0.00017643 0.00085393
0.02033816 -0.01977856 -0.02962019
14.64331956 12.72417508 -15.85581067
-0.00012333 -0.00037221 -0.00100853
0.00269006 -0.00108268 0.03535623
16.31428214 11.91112360 -13.45193376
-0.00131915 0.00039595 -0.00035559
0.02068972 -0.00320151 -0.00095782
-8.67479157 7.02900568 1.43974430
-0.00043233 0.00039430 0.00055699
-0.00948808 0.01963732 -0.00970881
-7.46426224 4.64784662 1.42314362
-0.00009404 0.00026200 0.00065302
0.01552795 -0.05010187 -0.03791928
6.11977358 12.30782324 -6.84582268
0.00021314 -0.00003777 -0.00025356
0.01371544 0.00533536 0.01212188
8.82580385 13.62371192 -6.69750344
0.00023345 0.00050134 -0.00096924
0.00773707 0.00693689 0.00090970
8.49062859 8.86234729 -20.47570284
-0.00023732 0.00015939 0.00068550
0.00806325 0.00237966 -0.00843843
10.25350156 11.01901792 -19.29999288
-0.00130381 0.00077690 -0.00075282
0.01469305 -0.00064315 -0.00961680
23.87455008 15.55398553 -2.63569329
-0.00067970 -0.00075485 0.00014773
-0.00319425 0.02771195 0.00592805
24.96502988 18.21663550 -2.39537412
0.00013096 -0.00039261 0.00035530
-0.00745741 0.00858861 0.00483119
1.40608146 16.73217545 -21.13506677
-0.00072231 -0.00043714 -0.00115842
0.01543520 0.01614392 0.00819031
2.77259055 15.19350849 -19.12217937
0.00072345 0.00033184 0.00016594
0.02004987 -0.02112711 0.00647718
12.90551734 -0.68303736 -6.79557730
-0.00048137 0.00103840 0.00006255
-0.01349061 -0.01091224 0.00298008
13.30962831 -1.33868109 -3.79787759
0.00076360 0.00002095 -0.00041825
-0.00966143 0.01051205 -0.01147961
-17.29864653 -3.01352220 3.19419442
0.00071766 0.00083277 -0.00101841
-0.00272180 0.02655798 -0.00636585
-14.63921915 -2.60886889 3.58657286
-0.00056410 -0.00010535 0.00032090
0.01708609 0.00470780 -0.00613841
-16.06815645 -0.32863927 19.97132165
-0.00036586 -0.00057889 0.00056568
-0.01634726 -0.00637280 -0.00246473
-15.49502904 -3.11220961 19.40245331
-0.00019564 0.00009609 0.00006312
-0.02047957 0.01611275 -0.00028472
-0.92536220 0.67168982 -5.21402699
0.00010883 0.00025949 0.00025827
0.02258703 0.00044934 0.00681658
-0.77896479 3.43221565 -4.97596637
-0.00016868 -0.00000455 -0.00026859
-0.00556694 0.02181910 0.00461533
23.27008076 -8.76324434 -9.27078860
0.00023688 0.00047218 0.00036722
0.02444419 -0.02427982 -0.00387188
23.65306924 -5.78699607 -8.63207854
0.00072670 -0.00013861 -0.00051966
0.02275820 0.00351447 0.00388804
0.44519559 -5.83460819 5.85929842
-0.00013342 -0.00008102 -0.00038271
-0.00005582 -0.00902970 -0.01226097
-0.02369996 -5.19708302 8.47131485
0.00073307 -0.00070539 0.00026324
-0.00222375 -0.00867905 0.01309098
-0.99276014 -2.93389506 -18.80434210
0.00105350 -0.00045250 0.00027261
0.01307142 -0.00915211 0.00579506
-2.99686810 -2.03697478 -20.51983726
0.00028703 0.00085161 -0.00012802
-0.01690442 0.00157682 -0.00989809
2.66210723 2.22500762 -11.07945676
-0.00022615 -0.00010117 0.00009030
0.01075656 0.00688097 0.03055616
1.99732171 2.79922567 -8.12755162
0.00021192 0.00047892 0.00078669
0.00450028 -0.01055830 -0.00336391
-2.40721916 16.66334103 12.53986287
-0.00077440 0.00029875 -0.00068375
-0.00699689 0.01499650 0.00119763
-3.49382547 19.30404623 13.31905573
-0.00006776 -0.00037080 -0.00001156
0.00841708 0.02450439 0.02989855
-4.62044452 6.31263410 -12.22469468
-0.00102652 0.00065290 0.00003790
0.01045292 -0.01929727 0.03059834
-3.22631144 3.77239053 -12.43553231
-0.00065011 -0.00023943 -0.00124918
-0.01046367 0.01007975 0.02808346
-7.89171452 2.15664397 -7.42970042
-0.00028249 -0.00000536 -0.00029772
0.00784832 0.00243991 0.00086889
-6.37417475 3.60168675 -9.45168401
0.00126222 0.00000953 -0.00031776
0.01225948 0.00270265 -0.00211085
2.26548306 28.32352113 6.98645071
0.00095388 -0.00035333 0.00074242
0.00571275 -0.00147288 -0.00604661
0.52577959 27.85811920 9.13372376
0.00016900 0.00078382 0.00045801
-0.01182526 0.00273999 0.00857017
10.70711500 -7.35060881 -0.68330421
-0.00012299 -0.00104570 -0.00013341
-0.00301230 0.01672819 -0.00777710
8.72774748 -7.31684339 -2.78205980
-0.00027198 0.00014784 -0.00053973
0.00075284 0.00362095 0.00261292
-6.97970277 0.39090031 6.27698173
0.00062703 0.00069894 -0.00006067
0.00189935 0.00204111 0.00182868
-9.42735402 -0.81276267 6.85821772
-0.00015797 0.00035428 -0.00008845
0.00279041 0.03582244 -0.01398034
21.73978185 10.05101002 9.88679728
-0.00018794 -0.00004015 -0.00066320
-0.00297009 0.01057379 0.00270851
20.98458048 12.43759290 8.20406800
0.00047401 0.00030895 -0.00048605
-0.00895874 -0.01926457 0.01716350
-1.58534124 -3.55763260 -26.44128253
-0.00060825 0.00028060 -0.00080560
0.00358141 0.00366909 0.00504365
-4.15225481 -2.19246049 -26.75039843
0.00104263 0.00003044 -0.00047274
-0.04329434 -0.00248410 0.01416153
-14.20253467 7.25577137 9.02438763
0.00060871 -0.00015938 0.00040395
0.00480579 -0.00516930 0.00558010
-15.21233251 7.22265200 6.48875525
-0.00071508 -0.00040984 0.00053925
-0.00218164 0.00098664 -0.01263218
-11.18640793 7.01817984 -3.55584652
0.00030871 0.00118613 0.00060346
-0.00797426 -0.00242519 0.00502966
-8.73818201 8.34677069 -3.75353215
-0.00026191 -0.00026996 0.00006090
0.00800921 -0.00386208 0.00921879
-1.26622543 -17.42961491 23.45865719
-0.00024453 -0.00006892 -0.00017405
0.00958415 0.00840408 -0.00430034
-3.51852516 -15.81070696 24.34693994
-0.00153409 -0.00041885 -0.00008125
0.01935917 0.00981748 -0.00896168
-2.66771300 5.84199274 -8.08333147
0.00101432 0.00062305 -0.00043930
0.00154317 -0.00458587 -0.00963314
-3.82054633 7.64442209 -6.27625753
-0.00084640 -0.00035412 -0.00002634
-0.02818969 0.02131838 0.00931356
-21.20036628 30.55085757 2.92375343
-0.00000645 -0.00026493 0.00067478
0.00404284 -0.00660892 0.01916577
-21.35771818 31.96349152 5.53706771
-0.00008534 -0.00118118 0.00033414
0.02272245 -0.02011046 -0.02190272
7.05055565 0.00830101 6.13818256
0.00006940 0.00004474 -0.00085556
0.00586748 -0.01990439 0.02140158
7.49397623 1.87135503 8.03673380
0.00046840 0.00027973 -0.00074057
0.00139136 0.00912204 0.01982442
6.91220314 12.77699007 -13.92104758
0.00082526 -0.00007074 -0.00097366
-0.00265749 -0.00092017 0.00289332
4.23818575 12.00032147 -15.03595261
0.00046453 -0.00069939 0.00077822
0.04444672 -0.01361853 0.03420736
14.50721811 3.80901650 -3.10488386
0.00012534 -0.00032577 -0.00014269
-0.00373007 0.00290204 0.00199227
15.13607183 1.16130887 -1.90223405
0.00005650 0.00018351 0.00011558
0.00452682 0.02451282 -0.00417313
-2.55207019 13.41956507 -0.42961989
-0.00056910 -0.00045064 0.00038055
0.00217242 -0.00230760 -0.00047601
-5.30117118 12.87588558 0.36109265
0.00065460 -0.00010313 0.00051137
-0.00568592 0.00177340 0.00296026
3.80171540 10.76439359 3.49322145
0.00063332 0.00094560 -0.00012190
0.00368482 0.01639024 0.00100761
6.40183973 12.19401008 3.41661489
0.00067944 -0.00053971 -0.00068041
-0.01233878 -0.00149252 -0.00429292
25.24515322 -13.07262248 -8.48152328
-0.00039788 0.00079877 0.00078223
-0.00124151 0.00053025 -0.00064620
26.31642968 -11.52083662 -10.93212177
-0.00036684 0.00018378 0.00028427
-0.01583448 -0.00498539 0.00994845
14.69201272 -4.10085075 -0.91800452
-0.00000537 0.00027039 0.00044166
0.01830858 0.01027199 0.01208544
17.15405353 -5.48279551 -0.83867957
-0.00026576 0.00082325 0.00041152
0.00580746 -0.00470845 0.00284947
12.18365663 7.94012369 11.76249980
0.00056096 -0.00004689 0.00077119
0.01161935 0.00888446 -0.03678133
13.21961631 9.62698012 9.26736186
0.00080921 0.00001160 0.00074393
-0.00455260 0.00047892 0.01284050
-0.09986757 -14.33645348 17.15488501
-0.00063422 0.00026794 0.00019646
-0.00840003 -0.00830763 -0.00423441
1.55601658 -12.14861825 18.28087815
-0.00076432 -0.00017330 -0.00003812
0.00257888 -0.02542835 -0.00944386
-3.88888155 -2.29330507 -13.60194821
0.00030822 0.00039939 -0.00047923
0.00001625 -0.00970533 0.00706615
-3.16177705 -0.55166707 -15.96643463
-0.00005441 -0.00050177 -0.00027485
-0.02642129 -0.01237611 0.03548349
13.98304907 -8.16995164 -10.50483934
-0.00024555 -0.00025361 0.00055269
0.03703484 0.00799550 0.01421833
16.21843857 -6.49508399 -9.24596248
0.00034619 -0.00063615 -0.00032003
0.01419855 0.02643120 -0.01200966
7.27523228 -5.72756600 9.18534871
-0.00016323 0.00034842 -0.00074614
-0.02525124 0.00782963 0.00769793
9.29240522 -5.85303821 7.30082758
-0.00039691 -0.00100187 0.00081937
0.01163316 0.00087922 -0.01149829
-21.31903133 1.93478863 20.93699403
-0.00104567 -0.00045136 -0.00033829
0.00212911 0.00844765 -0.02801084
-21.80230834 0.62720521 23.32988472
-0.00032704 0.00055906 0.00082692
-0.00053349 0.01796169 0.00841516
26.54348204 -3.00132058 -6.28584558
0.00044174 -0.00025202 -0.00064596
0.00077856 0.00366654 0.00354135
25.12904556 -1.52937005 -8.29834599
-0.00017658 0.00024692 -0.00059587
0.00392112 0.00005229 -0.00017096
9.10138852 -15.73684182 -7.63731611
0.00061745 0.00003928 -0.00019743
-0.00963714 -0.02902242 0.00431096
8.78404469 -12.83759481 -7.09308447
0.00046854 0.00040342 0.00041992
0.00318027 -0.00328805 0.00200668
-5.75814155 -11.13489660 17.97208534
-0.00085114 -0.00049170 -0.00032723
0.00896499 0.01510394 0.01315748
-7.35467303 -11.33256655 15.59927378
-0.00005073 -0.00011456 0.00007778
0.00084524 0.00965005 -0.01063503
8.74349370 1.72333304 -29.42167959
-0.00159335 -0.00001409 0.00011174
0.01763961 -0.01170221 0.00309995
6.67624611 3.20188068 -30.48732964
-0.00109362 -0.00007570 0.00038815
0.00455269 0.00857426 0.01221126
12.50876512 15.13308609 14.43023722
-0.00051049 0.00099062 -0.00026233
0.00402124 0.00100102 0.01477670
11.10538500 15.95325330 17.10063539
-0.00060712 -0.00055573 -0.00062992
0.00427862 -0.00588614 -0.02414821
29.34515076 4.92692691 -4.37656119
0.00076487 -0.00040040 0.00036042
-0.00577020 -0.00532548 -0.01134741
26.86115404 6.51224546 -3.70320969
-0.00036382 0.00006046 -0.00029350
0.01128198 -0.00491961 0.00099253
-9.95080186 4.87062433 6.83184401
0.00003383 -0.00008951 -0.00023617
-0.00164136 0.00487078 -0.00178716
-8.68842818 13.28001477 2.59470109
-0.00005340 0.00007230 0.00000801
-0.00267352 -0.00139429 -0.00232655
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09593929
0.29446169
392.35544234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3959942213 (a.u.)
total exchange computation time: 2.6799271107 s
-154.1704143602
-931.38517898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3957960500 (a.u.)
total exchange computation time: 2.6802191734 s
-154.1732378128
Anderson extrapolation: theta=1.3635936635 (1.3635936635)
-931.38537902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.330 s
total exchange = -52.3954414721 (a.u.)
total exchange computation time: 2.6807680130 s
-154.1777111092
Anderson extrapolation: theta=0.0555511117 (0.0555511117)
-931.38550175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.329 s
total exchange = -52.3953563207 (a.u.)
total exchange computation time: 2.6796369553 s
-154.1784644465
Anderson extrapolation: theta=2.0109986442 (2.0000000000)
-931.38550685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.331 s
total exchange = -52.3951725852 (a.u.)
total exchange computation time: 2.6817328930 s
-154.1799987992
Anderson extrapolation: theta=0.2323262869 (0.2323262869)
-931.38551237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.3951321351 (a.u.)
total exchange computation time: 2.6805739403 s
-154.1802643207
Anderson extrapolation: theta=1.7953078427 (1.7953078427)
-931.38551340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.329 s
total exchange = -52.3950822228 (a.u.)
total exchange computation time: 2.6825089455 s
-154.1805035230
Anderson extrapolation: theta=0.2808586949 (0.2808586949)
-931.38551456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3950891868 (a.u.)
total exchange computation time: 2.6812098026 s
-154.1803613584
Anderson extrapolation: theta=1.2753902924 (1.2753902924)
-931.38551481
-71.812093 23.098024 142.446801
559.038991 1031.427662 -412.691629
487.226898 1054.525686 -270.244828
1192.663716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1317685235
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.3951113966 (a.u.)
total exchange computation time: 2.6806149483 s
679.17965767
-1084.37509487
89.88073979
-388.75920028
-174.91650588
78.64566526
551.60419304
0.00000000
-931.38551497
3.92725566 -30.74926555 -2.27898212
0.00002454 -0.00013055 -0.00000947
0.00964606 -0.02978903 0.00721928
-11.62396790 -1.95670430 -9.19637143
0.00022743 0.00027306 -0.00014013
-0.00971375 -0.00154339 -0.00489249
-37.47740036 2.48713080 0.02990451
0.00001295 0.00003065 0.00018309
0.03169315 -0.03416929 0.00924662
-11.63630250 -4.06227315 3.82779263
-0.00016429 -0.00017022 0.00002561
-0.02422994 0.03154456 0.01370870
4.40535633 -3.90444926 9.34764289
-0.00031533 -0.00002755 -0.00028300
0.01004865 0.00603238 -0.01108703
-31.93432530 -0.66335274 -0.54310515
-0.00032926 0.00055106 0.00029751
-0.03811614 0.01854634 0.03480454
14.72590672 12.60902838 -13.92272991
-0.00041404 -0.00004578 0.00046811
-0.03119536 0.00652154 -0.04288144
-7.69759801 5.98033464 2.51713920
0.00000273 0.00015196 0.00005981
-0.00421094 0.03236994 0.04982939
7.58226584 12.60279734 -5.72342219
0.00001370 -0.00010639 -0.00022740
-0.03658410 -0.02198665 -0.01219582
8.88225460 9.85731858 -19.01318372
-0.00005562 0.00004824 0.00007097
-0.01721284 -0.00553237 0.01888338
23.36619284 17.32670968 -2.14381580
0.00006859 0.00000570 -0.00011232
-0.01275867 -0.02347500 -0.00983116
2.27516692 16.89430815 -19.45846077
-0.00005899 -0.00006708 -0.00030808
-0.03142501 0.01428114 -0.01249616
14.01153301 -1.28404392 -5.48778806
-0.00007822 0.00025315 -0.00025267
0.02288002 -0.00601620 -0.00223680
-16.08073314 -1.54578630 3.18590440
0.00001289 0.00038396 -0.00003341
-0.01537336 -0.03061951 0.01136355
-16.87193561 -1.85130532 19.17761649
0.00044842 -0.00024974 -0.00044929
0.03966933 -0.00939490 0.00650330
0.38222809 2.04673927 -5.00621452
0.00015292 -0.00017972 0.00018572
-0.01909109 -0.01436480 -0.00584036
22.55486104 -7.18393461 -8.90959077
0.00021334 0.00003277 0.00012646
-0.05003665 0.02774261 0.00501301
-0.59953768 -6.42589417 7.24694799
-0.00023639 0.00009170 0.00001728
0.00623165 0.01151953 -0.00354029
-1.79440095 -1.40160337 -19.32057178
0.00003136 0.00009251 -0.00014809
0.00568702 -0.00033710 0.01050962
3.27232578 2.10090613 -9.29257671
-0.00012697 -0.00031379 -0.00009089
-0.01050257 0.00062852 -0.02057416
-3.80328470 17.92221397 12.27369202
-0.00006791 -0.00030163 0.00022249
0.00126873 -0.03978028 -0.03498675
-3.83427828 4.97701226 -11.09042241
-0.00010416 -0.00003036 0.00043248
0.00407569 0.00881849 -0.07615868
-8.03078128 3.07250349 -8.98607346
0.00007258 -0.00039457 0.00010537
-0.01417511 0.00219433 -0.00346065
2.16211211 27.38488250 8.54941352
0.00037952 0.00016896 0.00007271
-0.00244635 -0.00549634 0.00365136
9.89070197 -6.18249037 -1.91497953
-0.00027193 0.00003240 0.00014907
0.00421674 -0.02252778 0.00945750
-8.77134612 0.74115816 5.96407745
0.00001076 0.00010841 0.00016579
-0.00821078 -0.03902576 0.01394604
20.36616073 10.75992961 8.88878198
-0.00006879 0.00007928 0.00009884
0.01218199 0.01821050 -0.02282861
-2.45512298 -2.13972515 -27.20262952
0.00055933 -0.00004625 -0.00008509
0.03932536 0.00994829 -0.02504538
-14.31347707 6.11755010 7.60683845
-0.00007092 0.00018223 0.00026129
0.00290398 -0.00188816 0.00709338
-9.67183712 7.26018111 -2.57007136
0.00035448 0.00012240 0.00015293
-0.00673950 0.00099124 -0.00398849
-1.74341145 -15.64008246 23.74456683
0.00011073 0.00041207 -0.00051392
-0.03449310 -0.01231879 0.01490087
-2.63563469 6.31713757 -6.32886436
-0.00004645 -0.00007435 0.00022496
0.01798896 -0.01326795 -0.00009485
-20.08918137 31.06952844 4.38031688
0.00025221 -0.00015818 -0.00042510
-0.05408823 -0.00388940 0.01437229
7.59827452 0.05234615 7.97973477
0.00004554 0.00018163 -0.00026814
-0.01038097 0.01500911 -0.04610634
5.62731589 11.42845888 -13.77633486
0.00010771 0.00033622 0.00025681
-0.03500555 0.00957146 -0.02541845
15.62251550 2.94766371 -1.95772773
-0.00034908 -0.00043359 0.00006368
0.01112532 -0.01282889 0.01115744
-4.27304622 13.55514596 -0.99549219
-0.00028092 -0.00019916 0.00024991
0.00665354 -0.00668560 -0.00980381
4.56917960 12.48610620 3.20599014
-0.00007896 -0.00046644 -0.00023943
0.01981728 0.00833018 -0.00802064
24.91454038 -11.70957287 -9.65733310
0.00037983 0.00015603 -0.00041836
0.01172199 0.00262857 -0.00956007
16.46923935 -3.82363162 -0.44651280
0.00020414 0.00008992 -0.00021563
-0.01930987 0.00393332 -0.00914922
12.96035999 7.94247013 9.99461516
0.00008193 0.00012705 0.00018668
-0.00559539 -0.01034749 0.02340622
1.60631957 -13.92526173 17.66364930
0.00000407 -0.00024767 -0.00001885
0.01457193 0.03427828 0.01204195
-4.29903874 -0.71569519 -14.38154001
0.00032441 -0.00012576 0.00040289
0.03241482 0.02951283 -0.04964637
15.12217548 -7.89339081 -8.99241061
0.00012547 0.00058700 0.00010538
-0.05866711 -0.04336766 -0.00808555
8.61850473 -6.81859372 8.68223590
-0.00034248 -0.00043263 0.00026677
0.01473842 -0.01071316 0.00447744
-21.28929880 2.31555403 22.69844955
0.00018142 0.00002937 0.00019269
-0.00085475 -0.02316120 0.01241527
25.76751423 -3.22432559 -7.92943639
-0.00015977 -0.00015163 -0.00020383
-0.00361750 0.00749185 -0.00397094
9.82534094 -14.13059795 -7.87633183
0.00001229 0.00009186 -0.00042808
0.01680144 0.04190801 -0.00779351
-6.52128069 -12.32640485 16.86352618
-0.00036966 -0.00034197 0.00031473
-0.00263152 -0.01504607 -0.01238130
8.18862288 3.43669680 -29.38452429
-0.00011354 -0.00021837 0.00018354
-0.03561732 -0.00560142 -0.02171540
10.85185060 15.44425959 15.29549263
0.00003044 -0.00025710 0.00033743
0.00709668 0.01916744 0.00048126
28.58399466 6.04191049 -3.16117772
0.00015486 0.00007855 -0.00033540
-0.01424725 0.02301854 0.00616403
5.45442275 -31.17578553 -3.24617287
0.00049291 -0.00009496 0.00014618
-0.00759117 -0.00290539 -0.00018307
3.96655685 -31.71202260 -0.68940579
0.00055942 0.00008704 0.00021093
0.00687008 0.01057354 -0.00566102
-11.65931200 -3.72399393 -8.69771710
0.00005904 0.00088702 -0.00025045
0.00160936 -0.00095422 0.00751573
-12.68085144 -1.93672124 -10.67928220
0.00040280 0.00088088 0.00051609
0.00213939 0.00819254 -0.00320640
-38.97932232 2.09518338 0.89836391
-0.00047864 -0.00031709 0.00006249
-0.02122783 -0.00679622 0.01467557
-37.79007139 3.98962860 -0.87394657
-0.00025011 -0.00047256 0.00016737
-0.00799981 0.03062168 -0.01997910
-10.75891422 -5.59411993 3.65067859
0.00045357 0.00071325 0.00010695
0.02341653 -0.03161117 -0.00829188
-10.44183649 -2.70825122 3.62762176
-0.00070895 -0.00041121 0.00003639
0.00648140 -0.00036910 -0.00128570
5.22914462 -2.52529678 8.39871578
-0.00088476 -0.00076591 0.00006846
-0.00824654 -0.00535555 0.01457516
4.80306409 -3.60084007 11.12663673
0.00011374 -0.00010392 -0.00069492
-0.00874828 0.00306613 -0.00132321
-33.36243436 -1.78264931 -0.76419192
0.00003203 0.00026081 0.00015589
-0.00091478 -0.00487931 0.00032531
-32.71195514 0.59655541 0.68188292
0.00011192 0.00009599 0.00073300
0.01981164 -0.01959817 -0.02957845
14.64155200 12.71855869 -15.86985514
-0.00011360 -0.00037652 -0.00085125
0.00207325 -0.00102532 0.04163165
16.29512894 11.91696482 -13.45729698
-0.00121577 0.00037491 -0.00035295
0.02991332 -0.00710175 0.00224944
-8.68156720 7.03552191 1.44780167
-0.00046930 0.00047216 0.00051805
-0.00861312 0.01847730 -0.00935224
-7.46519700 4.65024133 1.43177697
-0.00003057 0.00005235 0.00049296
0.01553968 -0.05252183 -0.04043112
6.12339091 12.30742013 -6.84925463
0.00026663 -0.00001675 -0.00020499
0.01246886 0.00495654 0.01165437
8.82954265 13.63144459 -6.71201414
0.00025968 0.00052456 -0.00095964
0.00510418 0.00442850 0.00379129
8.48731592 8.86481112 -20.46567889
-0.00020686 0.00016416 0.00064395
0.00684612 -0.00004625 -0.01190227
10.23439460 11.03065177 -19.31157992
-0.00123981 0.00077722 -0.00079246
0.01663453 0.00079894 -0.00978366
23.86425668 15.54351200 -2.63329565
-0.00069208 -0.00063654 0.00017232
-0.00286349 0.03020155 0.00610901
24.96676569 18.21100959 -2.38989651
0.00010332 -0.00035722 0.00037387
-0.00606992 0.00873167 0.00425610
1.39571977 16.72611310 -21.15219216
-0.00065354 -0.00037097 -0.00111544
0.01822947 0.01624702 0.01284868
2.78405675 15.19783874 -19.11949186
0.00080431 0.00024507 0.00019134
0.01953214 -0.02135013 0.00595737
12.89788335 -0.66779574 -6.79454771
-0.00053365 0.00099218 0.00007827
-0.01209970 -0.01171289 0.00471570
13.32078620 -1.33804466 -3.80450308
0.00072099 0.00006373 -0.00045830
-0.01119421 0.01042618 -0.00812513
-17.28796506 -3.00021680 3.17872325
0.00069838 0.00093452 -0.00104402
-0.00671483 0.02324733 -0.00617425
-14.64715706 -2.61030489 3.59119831
-0.00049196 -0.00008586 0.00029625
0.01822657 0.00483080 -0.00592911
-16.07414531 -0.33751795 19.97973139
-0.00043119 -0.00060299 0.00055560
-0.01563357 -0.00542439 -0.00246954
-15.49859119 -3.11027449 19.40339134
-0.00027274 0.00015599 0.00006248
-0.01726370 0.01320696 -0.00002505
-0.92303755 0.67559587 -5.20994403
0.00019952 0.00025802 0.00028532
0.02180242 -0.00116733 0.00642409
-0.78166563 3.43281598 -4.97985379
-0.00018732 0.00008062 -0.00024973
-0.00355738 0.01987243 0.00461481
23.27438296 -8.75690570 -9.26539901
0.00033905 0.00036633 0.00034955
0.02557232 -0.02753172 -0.00477711
23.66466712 -5.78896753 -8.63975426
0.00081746 -0.00012515 -0.00050376
0.02166961 0.00307264 0.00389478
0.44319263 -5.83610020 5.85318207
-0.00013628 -0.00011909 -0.00042898
-0.00134394 -0.00960589 -0.01038748
-0.01277199 -5.20792985 8.47566455
0.00072454 -0.00074008 0.00031680
-0.00195403 -0.00830000 0.01312863
-0.97655706 -2.94096308 -18.80007542
0.00109769 -0.00047554 0.00028944
0.00855948 -0.00212419 0.00244335
-2.99308061 -2.02415231 -20.52206093
0.00021469 0.00085383 -0.00017218
-0.01850986 -0.00049272 -0.01171687
2.65904459 2.22370088 -11.07716588
-0.00018314 -0.00007258 0.00021311
0.01029931 0.00711610 0.02955812
2.00063847 2.80608598 -8.11585434
0.00023499 0.00043229 0.00076739
0.00678818 -0.01226770 -0.00608477
-2.41904958 16.66828179 12.52964329
-0.00079420 0.00035294 -0.00067646
-0.00269591 0.01153125 0.00237209
-3.49458397 19.29923506 13.31979859
-0.00003260 -0.00026907 0.00011175
0.00879677 0.02529549 0.03046141
-4.63552202 6.32183632 -12.22318851
-0.00097910 0.00056676 0.00016951
0.01275968 -0.02287250 0.03382250
-3.23638377 3.76910797 -12.45340940
-0.00069577 -0.00019090 -0.00112485
-0.01188834 0.01367621 0.03277533
-7.89571139 2.15663829 -7.43413957
-0.00024890 0.00000018 -0.00028620
0.00859297 0.00027277 0.00477183
-6.35486585 3.60191249 -9.45651506
0.00129221 0.00001392 -0.00032027
0.00242425 -0.00055462 0.00088131
2.27996635 28.31817600 6.99740180
0.00097730 -0.00035284 0.00070715
0.00574964 0.00171538 -0.01122226
0.52795227 27.86996043 9.14085654
0.00012901 0.00079301 0.00048944
-0.00775356 0.00176205 0.00681259
10.70517791 -7.36578174 -0.68554370
-0.00013799 -0.00097278 -0.00016913
-0.00433188 0.01896932 -0.00970957
8.72369086 -7.31451489 -2.79007571
-0.00026684 0.00016478 -0.00052727
0.00176320 0.00467095 0.00348693
-6.97023908 0.40144694 6.27612775
0.00062712 0.00070674 -0.00005339
-0.00185721 0.00177583 0.00173388
-9.42963813 -0.80635078 6.85646252
-0.00014617 0.00049753 -0.00014366
0.00298822 0.03429902 -0.01304452
21.73687174 10.05073175 9.87693232
-0.00019494 0.00000037 -0.00064816
-0.00045853 0.00926321 0.00465070
20.99141609 12.44163687 8.19730313
0.00043503 0.00022558 -0.00041383
-0.01012251 -0.02154521 0.01819115
-1.59435526 -3.55331109 -26.45321200
-0.00058477 0.00028268 -0.00077857
0.00791490 -0.00265535 0.00818815
-4.13794200 -2.19207994 -26.75705555
0.00085557 0.00002077 -0.00041292
-0.04827387 -0.00225104 0.01511749
-14.19325674 7.25322226 9.03061788
0.00062788 -0.00017933 0.00042642
0.00457851 -0.00459441 0.00541918
-15.22312552 7.21653461 6.49645689
-0.00072555 -0.00040344 0.00048709
-0.00294471 0.00214757 -0.01289984
-11.18202161 7.03589744 -3.54664054
0.00027046 0.00117427 0.00062197
-0.01074975 -0.00337762 0.00403451
-8.74186528 8.34260299 -3.75233614
-0.00022451 -0.00028177 0.00009543
0.01029734 -0.00192068 0.00768253
-1.26959977 -17.43039124 23.45591463
-0.00020534 -0.00003069 -0.00019125
0.00960181 0.01031303 -0.00411690
-3.54094324 -15.81668887 24.34544650
-0.00143513 -0.00037585 -0.00012442
0.02908125 0.01123003 -0.01216881
-2.65245091 5.85119792 -8.09021620
0.00102065 0.00060624 -0.00047151
0.00155456 -0.00364356 -0.00613174
-3.83410615 7.63976361 -6.27636727
-0.00095735 -0.00027222 0.00001160
-0.02612173 0.01877208 0.00925976
-21.20033912 30.54668105 2.93446247
0.00000711 -0.00029380 0.00074603
0.00259194 -0.00752209 0.01570802
-21.35830192 31.94515758 5.54140862
0.00000936 -0.00126293 0.00024354
0.02362926 -0.01990788 -0.02244676
7.05177638 0.00836212 6.12600504
0.00009427 -0.00003617 -0.00076222
0.00630828 -0.01969845 0.02428856
7.50104484 1.87583048 8.02623271
0.00047406 0.00031574 -0.00065965
0.00137803 0.00850830 0.01978930
6.92450053 12.77590082 -13.93556386
0.00081105 -0.00007678 -0.00096058
-0.00429840 -0.00203946 0.00351199
4.24651574 11.98941325 -15.02323111
0.00063954 -0.00075168 0.00091211
0.04121784 -0.01197586 0.03133271
14.50898397 3.80421886 -3.10696309
0.00010905 -0.00031359 -0.00013552
-0.00424789 0.00305926 0.00151328
15.13705801 1.16481270 -1.90062824
0.00007180 0.00027379 0.00009858
0.00296220 0.01967821 -0.00414910
-2.56054013 13.41273472 -0.42392615
-0.00055595 -0.00045977 0.00037841
0.00426596 -0.00215926 -0.00057482
-5.29152646 12.87439302 0.36885394
0.00062708 -0.00009763 0.00052610
-0.00778594 0.00091870 0.00424946
3.81132816 10.77907984 3.49142385
0.00064209 0.00099844 -0.00011623
0.00060650 0.00947547 0.00176845
6.41165327 12.18586870 3.40627712
0.00062023 -0.00054483 -0.00069833
-0.01664514 -0.00101427 -0.00447629
25.23914702 -13.06062473 -8.46980969
-0.00040202 0.00080256 0.00077716
-0.00078695 0.00132454 -0.00183352
26.31044183 -11.51823276 -10.92755280
-0.00042225 0.00016314 0.00031876
-0.01128869 -0.00511408 0.00693071
14.69249320 -4.09648014 -0.91100923
0.00006915 0.00031220 0.00049061
0.01817194 0.01019541 0.01187620
17.15024504 -5.47059111 -0.83241949
-0.00023683 0.00079152 0.00042003
0.00835468 -0.01082397 0.00131826
12.19242714 7.93969253 11.77294050
0.00060889 -0.00001059 0.00061827
0.01183973 0.00888722 -0.03807330
13.23161495 9.62716887 9.27891423
0.00079063 0.00001667 0.00079473
-0.00454450 0.00199974 0.01202902
-0.10963822 -14.33268896 17.15770216
-0.00066258 0.00023345 0.00018037
-0.00548262 -0.00857503 -0.00364372
1.54463078 -12.15199691 18.28001702
-0.00075160 -0.00027716 -0.00007610
0.00364898 -0.02541444 -0.00914995
-3.88425782 -2.28761167 -13.60892017
0.00031085 0.00034745 -0.00044396
0.00127516 -0.01571680 0.01020249
-3.16340288 -0.55957292 -15.96947009
-0.00016300 -0.00055147 -0.00012830
-0.02673387 -0.01195097 0.03625484
13.98050065 -8.17351077 -10.49611327
-0.00009370 -0.00022010 0.00060961
0.03729660 0.00840883 0.01364572
16.22406656 -6.50381630 -9.25113101
0.00041061 -0.00051938 -0.00037148
0.01733265 0.03072892 -0.01317176
7.27201002 -5.72209982 9.17439250
-0.00026616 0.00037817 -0.00071378
-0.02513129 0.00673233 0.00814489
9.28680812 -5.86803929 7.31276580
-0.00034300 -0.00099283 0.00076249
0.01475412 0.00354254 -0.01634307
-21.33465118 1.92827714 20.93106127
-0.00103671 -0.00041496 -0.00044138
0.00225662 0.00937126 -0.02245060
-21.80723033 0.63614157 23.34254645
-0.00032925 0.00063034 0.00086121
-0.00054497 0.01692679 0.00836897
26.55013193 -3.00498858 -6.29542652
0.00044514 -0.00023629 -0.00062971
0.00088905 0.00403460 0.00441297
25.12651695 -1.52566465 -8.30728929
-0.00015811 0.00024152 -0.00059445
0.00512446 -0.00269455 0.00086779
9.11035489 -15.73714195 -7.64014544
0.00057664 -0.00008069 -0.00017881
-0.01033865 -0.02970567 0.00480198
8.79117029 -12.83164422 -7.08672413
0.00048341 0.00038606 0.00042619
0.00409656 -0.00520993 0.00106086
-5.77063389 -11.14180934 17.96758009
-0.00080901 -0.00042275 -0.00026541
0.01165668 0.01865155 0.01710343
-7.35540804 -11.33398930 15.60011460
-0.00004637 -0.00007739 0.00003575
0.00128868 0.00854534 -0.00993968
8.72013405 1.72276316 -29.41990857
-0.00151717 -0.00007217 0.00012487
0.01964864 -0.01673083 0.00333060
6.65998130 3.20100790 -30.48113313
-0.00106907 -0.00003881 0.00044172
0.00746391 0.00948611 0.01401028
12.50123101 15.14797611 14.42675509
-0.00049007 0.00099379 -0.00020280
0.00597219 0.00054912 0.01436144
11.09640926 15.94473698 17.09044667
-0.00058662 -0.00057590 -0.00071580
0.00575609 -0.00398920 -0.01789129
29.35644696 4.92075776 -4.37150256
0.00073934 -0.00042085 0.00031429
-0.00672769 -0.00468508 -0.01123537
26.85604245 6.51300157 -3.70758182
-0.00031175 0.00003818 -0.00028866
0.01420623 -0.00598620 0.00137727
-9.95029877 4.86929479 6.82829661
0.00003322 -0.00008772 -0.00023677
-0.00178869 0.00513477 -0.00153675
-8.68923379 13.28109684 2.59481724
-0.00005402 0.00007197 0.00000751
-0.00267369 -0.00147504 -0.00200567
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09588719
0.28962778
385.91449528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.419 s
total exchange = -52.4041541856 (a.u.)
total exchange computation time: 2.6650910378 s
-154.1997509038
-931.38042002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.420 s
total exchange = -52.4038073078 (a.u.)
total exchange computation time: 2.6652691364 s
-154.2037074249
Anderson extrapolation: theta=1.3520731683 (1.3520731683)
-931.38062787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.4032341954 (a.u.)
total exchange computation time: 2.6655850410 s
-154.2097896133
Anderson extrapolation: theta=0.0518655474 (0.0518655474)
-931.38075344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.416 s
total exchange = -52.4031224733 (a.u.)
total exchange computation time: 2.6630749702 s
-154.2107088441
Anderson extrapolation: theta=1.9166818296 (1.9166818296)
-931.38075812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.419 s
total exchange = -52.4028844733 (a.u.)
total exchange computation time: 2.6636219025 s
-154.2125745476
Anderson extrapolation: theta=0.2190399294 (0.2190399294)
-931.38076271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.416 s
total exchange = -52.4028261754 (a.u.)
total exchange computation time: 2.6651618481 s
-154.2129556790
Anderson extrapolation: theta=1.9018574513 (1.9018574513)
-931.38076352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.420 s
total exchange = -52.4027358004 (a.u.)
total exchange computation time: 2.6669888496 s
-154.2134623199
Anderson extrapolation: theta=0.2862825007 (0.2862825007)
-931.38076445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.421 s
total exchange = -52.4027307047 (a.u.)
total exchange computation time: 2.6681678295 s
-154.2134014315
Anderson extrapolation: theta=1.3223258608 (1.3223258608)
-931.38076467
-71.837156 23.159006 142.371525
559.029877 1031.440658 -412.680179
487.192721 1054.599663 -270.308654
1192.729628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.4027392706 (a.u.)
total exchange computation time: 2.6638169289 s
679.30332793
-1084.64465667
89.87466910
-388.57428843
-174.93707747
78.79533217
551.60419304
0.00000000
-931.38076482
3.92766090 -30.75133870 -2.27909630
0.00002998 -0.00014604 -0.00000584
0.01153128 -0.03044612 0.00688207
-11.62059390 -1.95261440 -9.19849231
0.00022318 0.00027324 -0.00014189
-0.00683594 0.00226120 -0.00191849
-37.47708392 2.48745879 0.03268654
0.00002837 0.00001236 0.00018874
0.02828912 -0.03696557 0.01270450
-11.63886026 -4.06470473 3.82822970
-0.00017773 -0.00015411 0.00003282
-0.02803885 0.03108989 0.01432840
4.40066521 -3.90483930 9.34335511
-0.00031092 -0.00002572 -0.00028836
0.00708632 0.00111153 -0.00973794
-31.93941117 -0.65501537 -0.53850832
-0.00034842 0.00056032 0.00031515
-0.03639096 0.01747887 0.03382660
14.71957572 12.60836680 -13.91587368
-0.00043213 -0.00004149 0.00044397
-0.03913842 0.01016038 -0.05100054
-7.69757323 5.98273890 2.51822850
0.00000038 0.00016900 0.00008538
-0.00495305 0.03390603 0.04960163
7.58233030 12.60111663 -5.72688024
-0.00000397 -0.00011696 -0.00023411
-0.03215323 -0.01911569 -0.01391303
8.88135387 9.85802087 -19.01204627
-0.00006446 0.00004573 0.00008153
-0.01713381 -0.00422621 0.02214772
23.36717252 17.32670467 -2.14553854
0.00006163 -0.00000694 -0.00011720
-0.01431353 -0.02569897 -0.00915230
2.27416092 16.89335708 -19.46313012
-0.00007559 -0.00005989 -0.00031536
-0.03316007 0.01365644 -0.01581262
14.01044803 -1.28026992 -5.49158669
-0.00006645 0.00025024 -0.00025510
0.02286140 -0.00527301 -0.00721641
-16.08059909 -1.54014508 3.18544714
0.00000588 0.00036908 -0.00002765
-0.01187226 -0.02722858 0.01101063
-16.86505622 -1.85508768 19.17090220
0.00046765 -0.00025395 -0.00044609
0.03509467 -0.00698544 0.00595544
0.38444824 2.04398810 -5.00345129
0.00014284 -0.00018593 0.00018282
-0.02011729 -0.00979841 -0.00544344
22.55786814 -7.18333600 -8.90767449
0.00018785 0.00004770 0.00012918
-0.04908011 0.03028645 0.00555080
-0.60305944 -6.42447418 7.24719350
-0.00023289 0.00009766 0.00001497
0.00734583 0.01165554 -0.00543585
-1.79390866 -1.40021700 -19.32275260
0.00003574 0.00009107 -0.00014145
0.01134709 -0.00527758 0.01531231
3.27038070 2.09620166 -9.29401939
-0.00013270 -0.00031317 -0.00010032
-0.01177762 0.00180913 -0.01612155
-3.80429851 17.91753601 12.27689445
-0.00006845 -0.00032080 0.00020430
-0.00334820 -0.03473891 -0.03576097
-3.83582497 4.97659093 -11.08422899
-0.00010226 -0.00002584 0.00039169
0.00330419 0.00875887 -0.08245239
-8.02974727 3.06659340 -8.98450625
0.00006748 -0.00039205 0.00010185
-0.00564221 0.00759662 -0.01024810
2.16779547 27.38739577 8.55051832
0.00037711 0.00016558 0.00007639
-0.00692814 -0.00765124 0.01062736
9.88663926 -6.18209122 -1.91270707
-0.00026972 0.00002009 0.00015413
0.00438984 -0.02536970 0.01024232
-8.77121638 0.74263382 5.96661811
0.00000753 0.00008898 0.00017264
-0.00433551 -0.03654017 0.01269417
20.36517588 10.76118903 8.89017658
-0.00006295 0.00008943 0.00008642
0.01052028 0.02126028 -0.02547448
-2.44658127 -2.14038049 -27.20400247
0.00057903 -0.00003954 -0.00009889
0.03727265 0.01614578 -0.02863652
-14.31452965 6.12027627 7.61078520
-0.00006918 0.00018087 0.00026501
0.00384369 -0.00341380 0.00735343
-9.66654596 7.26202090 -2.56779283
0.00035099 0.00012254 0.00015160
-0.00682337 -0.00044566 -0.00117543
-1.74188351 -15.63394892 23.73691553
0.00009086 0.00040497 -0.00050563
-0.04278542 -0.01531093 0.01735005
-2.63626206 6.31597112 -6.32549034
-0.00003792 -0.00008056 0.00022403
0.01517214 -0.01087869 -0.00353253
-20.08560692 31.06714082 4.37399579
0.00022470 -0.00016013 -0.00041661
-0.05287433 -0.00371931 0.01866490
7.59891761 0.05512849 7.97553476
0.00004011 0.00018948 -0.00029230
-0.01075304 0.01551540 -0.04784565
5.62879651 11.43353914 -13.77258071
0.00009112 0.00034088 0.00024452
-0.02951078 0.00854240 -0.02238340
15.61732226 2.94111031 -1.95672955
-0.00034278 -0.00043873 0.00006949
0.01336881 -0.00712930 0.01146412
-4.27723437 13.55213278 -0.99178131
-0.00027747 -0.00020243 0.00024458
0.00675863 -0.00601875 -0.01093032
4.56807158 12.47914175 3.20236778
-0.00006680 -0.00046008 -0.00024389
0.02746693 0.01639358 -0.00932651
24.92028304 -11.70722232 -9.66364534
0.00038442 0.00015710 -0.00042190
0.00612173 0.00153607 -0.00419801
16.47222698 -3.82226770 -0.44978251
0.00019372 0.00009359 -0.00021989
-0.02122670 0.01033719 -0.00742047
12.96156739 7.94433591 9.99750570
0.00007903 0.00012129 0.00019901
-0.00567274 -0.01202356 0.02454723
1.60643686 -13.92884450 17.66341301
0.00001051 -0.00023019 -0.00001300
0.01047034 0.03369367 0.01068863
-4.29404756 -0.71746777 -14.37568813
0.00034075 -0.00010925 0.00037654
0.03112572 0.03468496 -0.05283707
15.12383129 -7.88475310 -8.99086106
0.00009465 0.00056374 0.00010181
-0.06120343 -0.04707029 -0.00581186
8.61342444 -6.82512455 8.68625468
-0.00033576 -0.00043833 0.00027015
0.01137157 -0.01145078 0.00866516
-21.28658076 2.31590530 22.70138783
0.00018098 0.00001754 0.00019748
-0.00086618 -0.02285228 0.00620219
25.76510371 -3.22657112 -7.93250914
-0.00016188 -0.00014718 -0.00020633
-0.00457028 0.00982299 -0.00576059
9.82559009 -14.12905837 -7.88278313
0.00002071 0.00011368 -0.00043189
0.01592802 0.04294990 -0.00700701
-6.52683579 -12.33159242 16.86819938
-0.00037167 -0.00035008 0.00030714
-0.00515467 -0.01650921 -0.01711727
8.18678245 3.43339958 -29.38185490
-0.00013288 -0.00022030 0.00017192
-0.03959865 -0.00189805 -0.02347265
10.85233459 15.44047703 15.30055597
0.00003327 -0.00024763 0.00033596
0.00389679 0.01764867 -0.00620172
28.58626260 6.04317752 -3.16618494
0.00014717 0.00009040 -0.00033236
-0.01565836 0.02305893 0.00566499
5.46158378 -31.17729895 -3.24398577
0.00045838 -0.00010583 0.00014647
-0.00930940 -0.00241387 0.00032282
3.97515872 -31.71039301 -0.68641534
0.00058650 0.00013052 0.00018732
0.00638530 0.01071247 -0.00589447
-11.65837702 -3.71071792 -8.70124354
0.00006529 0.00087530 -0.00021800
0.00144817 -0.00478195 0.00836917
-12.67474383 -1.92325699 -10.67163910
0.00040566 0.00091431 0.00049469
-0.00073995 0.00817016 -0.00727034
-38.98715245 2.09021878 0.89975089
-0.00055793 -0.00034267 0.00011794
-0.01758455 -0.00572648 0.01246991
-37.79406824 3.98347850 -0.87204828
-0.00028362 -0.00034315 0.00008309
-0.00840090 0.03272759 -0.02127494
-10.75139311 -5.58438983 3.65202882
0.00055175 0.00057753 0.00007270
0.02464470 -0.03482328 -0.00847733
-10.45227220 -2.71443062 3.62812823
-0.00067759 -0.00040511 0.00003028
0.00887340 0.00335474 -0.00170593
5.21562045 -2.53694954 8.40018931
-0.00091273 -0.00077762 0.00012012
-0.00544158 -0.00037790 0.01071533
4.80450218 -3.60230489 11.11617231
0.00007842 -0.00009108 -0.00069562
-0.00854159 0.00321864 0.00098370
-33.36198201 -1.77888668 -0.76184354
0.00002716 0.00024091 0.00015733
-0.00146485 -0.00486318 0.00037971
-32.70966929 0.59739467 0.69197151
0.00019091 0.00001761 0.00061360
0.01885782 -0.01876674 -0.02886733
14.63991150 12.71287947 -15.88134817
-0.00010653 -0.00038039 -0.00067103
0.00138878 -0.00086715 0.04658818
16.27780901 11.92237080 -13.46252234
-0.00107604 0.00033853 -0.00033778
0.03848771 -0.01070672 0.00517631
-8.68887070 7.04317055 1.45528589
-0.00050179 0.00054411 0.00048136
-0.00728841 0.01674043 -0.00860964
-7.46517940 4.64941718 1.43793246
0.00003193 -0.00016199 0.00032655
0.01505449 -0.05239781 -0.04102942
6.12777240 12.30732079 -6.85197234
0.00031409 0.00000253 -0.00015911
0.01076222 0.00447867 0.01080401
8.83359426 13.63944867 -6.72629249
0.00027530 0.00053757 -0.00093835
0.00254168 0.00193858 0.00663003
8.48442282 8.86727211 -20.45638439
-0.00018140 0.00015915 0.00058864
0.00561806 -0.00240716 -0.01516984
10.21630712 11.04233459 -19.32376656
-0.00116894 0.00078268 -0.00083251
0.01805931 0.00187446 -0.00982122
23.85378780 15.53488940 -2.63052360
-0.00070281 -0.00050940 0.00019727
-0.00238899 0.03203195 0.00610500
24.96812950 18.20591881 -2.38415806
0.00008131 -0.00032127 0.00039009
-0.00470392 0.00886591 0.00368593
1.38647530 16.72104646 -21.16853011
-0.00057415 -0.00030462 -0.00105482
0.02063270 0.01623067 0.01682500
2.79672000 15.20086052 -19.11643924
0.00088245 0.00015934 0.00021413
0.01871703 -0.02061295 0.00519959
12.88950781 -0.65327196 -6.79322910
-0.00058002 0.00094261 0.00010100
-0.01060039 -0.01255073 0.00640706
13.33125804 -1.33676925 -3.81162652
0.00067220 0.00010604 -0.00048421
-0.01269129 0.01028516 -0.00456000
-17.27769511 -2.98548666 3.16287368
0.00066228 0.00102168 -0.00106896
-0.01095749 0.01941719 -0.00603305
-14.65397793 -2.61144483 3.59546040
-0.00041587 -0.00006569 0.00027234
0.01901976 0.00504334 -0.00577509
-16.08109230 -0.34672908 19.98798977
-0.00049337 -0.00062278 0.00054580
-0.01480364 -0.00426141 -0.00233115
-15.50321136 -3.10752998 19.40432784
-0.00033546 0.00020285 0.00006321
-0.01343496 0.00973109 0.00037977
-0.91937671 0.67943037 -5.20546735
0.00028623 0.00024951 0.00031067
0.02064452 -0.00299707 0.00598223
-0.78458448 3.43463421 -4.98345838
-0.00019720 0.00015688 -0.00023091
-0.00127799 0.01745921 0.00459994
23.28025239 -8.75225437 -9.26030220
0.00044450 0.00024991 0.00032885
0.02604162 -0.02945977 -0.00535467
23.67759304 -5.79075068 -8.64719129
0.00090290 -0.00011433 -0.00048796
0.02015153 0.00222403 0.00384079
0.44110730 -5.83818091 5.84642911
-0.00014442 -0.00015938 -0.00046733
-0.00264197 -0.01011533 -0.00838662
-0.00196377 -5.21928535 8.48081886
0.00071709 -0.00077341 0.00037008
-0.00169232 -0.00801507 0.01295047
-0.95982940 -2.94816129 -18.79565900
0.00112353 -0.00047050 0.00029266
0.00408646 0.00459390 -0.00086392
-2.99042752 -2.01136003 -20.52500267
0.00013677 0.00084801 -0.00022285
-0.01963158 -0.00235217 -0.01308815
2.65661315 2.22283025 -11.07306349
-0.00014254 -0.00004295 0.00033015
0.00957339 0.00738870 0.02773632
2.00437126 2.81219445 -8.10452996
0.00026680 0.00037893 0.00073743
0.00878455 -0.01385261 -0.00857872
-2.43104522 16.67392925 12.51956909
-0.00079530 0.00039191 -0.00066437
0.00215743 0.00754683 0.00354584
-3.49480335 19.29597417 13.32240832
0.00000343 -0.00016704 0.00023520
0.00884031 0.02464909 0.02996462
-4.64981752 6.32963678 -12.21960948
-0.00092321 0.00046774 0.00031263
0.01459857 -0.02559807 0.03623946
-3.24718469 3.76666358 -12.46927781
-0.00074636 -0.00012923 -0.00098305
-0.01287190 0.01651075 0.03663580
-7.89918162 2.15664933 -7.43828628
-0.00021239 -0.00000313 -0.00025877
0.00928283 -0.00189446 0.00865267
-6.33540837 3.60210424 -9.46129209
0.00128332 0.00000546 -0.00031096
-0.00677658 -0.00358396 0.00367410
2.29480201 28.31293601 7.00766511
0.00100085 -0.00033942 0.00065096
0.00577823 0.00485457 -0.01627923
0.52964976 27.88190963 9.14840683
0.00010601 0.00079802 0.00051332
-0.00350180 0.00068969 0.00487889
10.70297534 -7.37979210 -0.68837824
-0.00015792 -0.00089140 -0.00021195
-0.00542285 0.02086442 -0.01125130
8.71974230 -7.31190013 -2.79787792
-0.00025779 0.00018576 -0.00051136
0.00266742 0.00559928 0.00430344
-6.96088920 0.41210241 6.27538003
0.00061203 0.00071336 -0.00004647
-0.00552828 0.00146737 0.00165558
-9.43173911 -0.79783683 6.85390787
-0.00013430 0.00063284 -0.00019411
0.00282291 0.03193941 -0.01164891
21.73393352 10.05102120 9.86735239
-0.00019160 0.00003539 -0.00062517
0.00209435 0.00787716 0.00660343
20.99763133 12.44436042 8.19165313
0.00039172 0.00013422 -0.00033800
-0.01107699 -0.02317605 0.01892637
-1.60288420 -3.54915232 -26.46463964
-0.00054357 0.00025842 -0.00073858
0.01225209 -0.00921820 0.01138649
-4.12658770 -2.19183734 -26.76278617
0.00065271 0.00001219 -0.00035040
-0.05102664 -0.00194717 0.01549121
-14.18369821 7.25039158 9.03718025
0.00064602 -0.00019694 0.00044803
0.00430232 -0.00402626 0.00516019
-15.23409900 7.21054883 6.50336794
-0.00073867 -0.00039277 0.00043450
-0.00347687 0.00307354 -0.01284557
-11.17829411 7.05340803 -3.53718730
0.00022129 0.00115877 0.00063663
-0.01332044 -0.00421194 0.00313881
-8.74491746 8.33831758 -3.75066929
-0.00017783 -0.00028557 0.00012338
0.01255749 0.00005897 0.00600176
-1.27238565 -17.43053554 23.45291976
-0.00016609 0.00001497 -0.00020771
0.00961278 0.01203895 -0.00394205
-3.56157904 -15.82198252 24.34320729
-0.00129982 -0.00032735 -0.00017953
0.03715413 0.01251124 -0.01480593
-2.63709355 5.86017981 -8.09747672
0.00102679 0.00059339 -0.00048895
0.00145304 -0.00264509 -0.00240776
-3.84926688 7.63625559 -6.27590951
-0.00105820 -0.00020241 0.00004917
-0.02324251 0.01539830 0.00912875
-21.20015312 30.54204352 2.94613420
0.00001418 -0.00032668 0.00080245
0.00087225 -0.00857262 0.01191018
-21.35743752 31.92560357 5.54437384
0.00010671 -0.00134308 0.00015171
0.02402675 -0.01932424 -0.02250118
7.05338372 0.00721598 6.11531606
0.00012059 -0.00011593 -0.00065831
0.00657658 -0.01934641 0.02657530
7.50819791 1.88082737 8.01694443
0.00047961 0.00034864 -0.00057913
0.00134275 0.00759588 0.01962509
6.93653450 12.77468657 -13.94986491
0.00079019 -0.00008738 -0.00094485
-0.00590865 -0.00314603 0.00418570
4.25737181 11.97777107 -15.00858935
0.00079900 -0.00079656 0.00103227
0.03684046 -0.00999382 0.02748618
14.51048949 3.79960870 -3.10894957
0.00009090 -0.00030089 -0.00013006
-0.00463697 0.00316146 0.00116275
15.13822574 1.16952252 -1.89927671
0.00008032 0.00034256 0.00008177
0.00120859 0.01398677 -0.00407732
-2.56874863 13.40577202 -0.41826764
-0.00053442 -0.00046829 0.00037580
0.00627065 -0.00201288 -0.00070052
-5.28235891 12.87295676 0.37687566
0.00059125 -0.00009545 0.00054584
-0.00975007 0.00014669 0.00541320
3.82097809 10.79434681 3.48973464
0.00063744 0.00102118 -0.00010704
-0.00288321 0.00165329 0.00272995
6.42044670 12.17766517 3.39566502
0.00054474 -0.00054822 -0.00071678
-0.02030859 -0.00064498 -0.00455459
25.23309260 -13.04854580 -8.45820846
-0.00040432 0.00080970 0.00076713
-0.00034075 0.00217114 -0.00307819
26.30376213 -11.51594232 -10.92255908
-0.00045795 0.00014217 0.00033993
-0.00618534 -0.00515463 0.00343281
14.69408737 -4.09148469 -0.90328608
0.00014185 0.00035347 0.00053837
0.01741165 0.01000797 0.01150022
17.14694859 -5.45905006 -0.82607862
-0.00019762 0.00073485 0.00042241
0.01083828 -0.01691215 -0.00015630
12.20192326 7.93980602 11.78104783
0.00065706 0.00002558 0.00046167
0.01174044 0.00881858 -0.03858141
13.24333507 9.62748017 9.29120381
0.00077216 0.00002788 0.00084211
-0.00449672 0.00348835 0.01116262
-0.11974489 -14.32944997 17.16029601
-0.00067854 0.00019796 0.00016678
-0.00232959 -0.00879731 -0.00300910
1.53346862 -12.15693312 18.27859513
-0.00073459 -0.00037942 -0.00011234
0.00467526 -0.02463946 -0.00858906
-3.87955593 -2.28288149 -13.61526686
0.00031836 0.00027192 -0.00039639
0.00240073 -0.02125458 0.01308178
-3.16666712 -0.56821119 -15.97028363
-0.00027166 -0.00059915 0.00001979
-0.02645542 -0.01138680 0.03623510
13.98023800 -8.17655455 -10.48655090
0.00005792 -0.00018531 0.00066289
0.03692210 0.00861860 0.01243534
16.23075679 -6.51066536 -9.25710678
0.00048632 -0.00038735 -0.00042719
0.01973136 0.03389795 -0.01410266
7.26724755 -5.71622104 9.16393545
-0.00036707 0.00040234 -0.00068029
-0.02426808 0.00510288 0.00824604
9.28211524 -5.88282325 7.32370242
-0.00027681 -0.00097338 0.00068668
0.01764675 0.00598068 -0.02076947
-21.35013273 1.92233998 20.92375260
-0.00102701 -0.00037466 -0.00052058
0.00249434 0.01035144 -0.01631653
-21.81218572 0.64611531 23.35572108
-0.00033174 0.00069669 0.00089538
-0.00067430 0.01555343 0.00835884
26.55683630 -3.00840931 -6.30473701
0.00044888 -0.00021914 -0.00061023
0.00094076 0.00436201 0.00512326
25.12430239 -1.52212440 -8.31617941
-0.00013492 0.00022530 -0.00058889
0.00622735 -0.00524612 0.00185462
9.11868764 -15.73926264 -7.64268047
0.00053419 -0.00020088 -0.00015857
-0.01043884 -0.02912561 0.00510518
8.79854696 -12.82601293 -7.08029877
0.00050172 0.00036116 0.00042874
0.00486607 -0.00698109 0.00018649
-5.78241185 -11.14757899 17.96412305
-0.00075671 -0.00034047 -0.00018867
0.01394241 0.02162381 0.02046127
-7.35606408 -11.33488835 15.60034626
-0.00003991 -0.00004510 -0.00000295
0.00187347 0.00726452 -0.00900590
8.69797858 1.72116790 -29.41793342
-0.00143356 -0.00014938 0.00013886
0.02128171 -0.02106101 0.00351434
6.64417393 3.20071649 -30.47407798
-0.00103343 0.00000149 0.00050187
0.00998494 0.01023726 0.01543448
12.49406291 15.16289978 14.42415312
-0.00046167 0.00099511 -0.00014528
0.00792979 0.00009631 0.01379674
11.08778628 15.93597618 17.07916146
-0.00056006 -0.00058781 -0.00077430
0.00724674 -0.00183987 -0.01074416
29.36733085 4.91430148 -4.36713251
0.00070969 -0.00043825 0.00026916
-0.00778279 -0.00383250 -0.01085794
26.85180150 6.51339082 -3.71186954
-0.00024876 0.00001191 -0.00028246
0.01662985 -0.00687250 0.00165926
-9.94980528 4.86799283 6.82474096
0.00003255 -0.00008583 -0.00023728
-0.00192994 0.00538984 -0.00131932
-8.69004871 13.28217378 2.59492641
-0.00005464 0.00007162 0.00000708
-0.00268781 -0.00153422 -0.00170717
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09578708
0.28497774
379.71855160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.4120703035 (a.u.)
total exchange computation time: 2.6630699635 s
-154.2305343217
-931.37637305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.512 s
total exchange = -52.4115937815 (a.u.)
total exchange computation time: 2.6630930901 s
-154.2354819099
Anderson extrapolation: theta=1.3479685281 (1.3479685281)
-931.37658961
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.4108422754 (a.u.)
total exchange computation time: 2.6707239151 s
-154.2428811113
Anderson extrapolation: theta=0.0509241119 (0.0509241119)
-931.37671970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.4107178256 (a.u.)
total exchange computation time: 2.6657538414 s
-154.2438648098
Anderson extrapolation: theta=1.8870485498 (1.8870485498)
-931.37672437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.511 s
total exchange = -52.4104560745 (a.u.)
total exchange computation time: 2.6629390717 s
-154.2458381077
Anderson extrapolation: theta=0.2145314134 (0.2145314134)
-931.37672875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.4103909846 (a.u.)
total exchange computation time: 2.6640839577 s
-154.2462482437
Anderson extrapolation: theta=1.8947551948 (1.8947551948)
-931.37672946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.4102863823 (a.u.)
total exchange computation time: 2.6641318798 s
-154.2468191651
Anderson extrapolation: theta=0.2828946419 (0.2828946419)
-931.37673023
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.4102763483 (a.u.)
total exchange computation time: 2.6681308746 s
-154.2467833328
Anderson extrapolation: theta=1.3175677668 (1.3175677668)
-931.37673040
-71.853397 23.216861 142.300622
559.025306 1031.453899 -412.665061
487.171909 1054.670760 -270.364440
1192.796634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.4102780515 (a.u.)
total exchange computation time: 2.6668100357 s
679.42485322
-1084.90836202
89.86785818
-388.39351457
-174.95728726
78.94174094
551.60419304
0.00000000
-931.37673050
3.92815510 -30.75364672 -2.27915740
0.00003635 -0.00016180 -0.00000243
0.01322134 -0.03083905 0.00639362
-11.61727264 -1.94850706 -9.20062799
0.00022041 0.00027537 -0.00014211
-0.00393554 0.00603056 0.00105472
-37.47654923 2.48750159 0.03556658
0.00004183 -0.00000707 0.00019603
0.02403294 -0.03859338 0.01564736
-11.64163433 -4.06689646 3.82877732
-0.00019287 -0.00013862 0.00004030
-0.03084388 0.02913875 0.01475607
4.39602876 -3.90522077 9.33899220
-0.00030810 -0.00002653 -0.00029292
0.00386537 -0.00428866 -0.00799047
-31.94477778 -0.64654316 -0.53365053
-0.00036660 0.00056885 0.00033211
-0.03430870 0.01571019 0.03211127
14.71294279 12.60778362 -13.90941091
-0.00045396 -0.00003550 0.00041608
-0.04575583 0.01314696 -0.05745459
-7.69758666 5.98540474 2.51970046
-0.00000233 0.00018630 0.00011025
-0.00558063 0.03335496 0.04712130
7.58214670 12.59928845 -5.73044563
-0.00001928 -0.00012605 -0.00024159
-0.02738653 -0.01621247 -0.01515700
8.88032095 9.85869055 -19.01073795
-0.00007312 0.00004397 0.00009363
-0.01657856 -0.00263124 0.02492010
23.36804177 17.32650139 -2.14733189
0.00005385 -0.00002055 -0.00012171
-0.01592802 -0.02721047 -0.00835657
2.27289910 16.89251136 -19.46792145
-0.00009292 -0.00005325 -0.00032410
-0.03420456 0.01219493 -0.01820417
14.00953943 -1.27653660 -5.49544100
-0.00005473 0.00024774 -0.00026008
0.02271221 -0.00445564 -0.01215213
-16.08055664 -1.53471392 3.18507482
0.00000082 0.00035603 -0.00002205
-0.00783598 -0.02352525 0.01079187
-16.85790608 -1.85892392 19.16423385
0.00048436 -0.00025684 -0.00044324
0.02988317 -0.00425035 0.00511257
0.38651319 2.04116134 -5.00073005
0.00013227 -0.00018965 0.00018013
-0.02096450 -0.00467540 -0.00498644
22.56049660 -7.18250374 -8.90571538
0.00016314 0.00006364 0.00013210
-0.04701987 0.03172144 0.00579060
-0.60652452 -6.42296427 7.24739708
-0.00022884 0.00010370 0.00001173
0.00843151 0.01182849 -0.00717849
-1.79332883 -1.39887135 -19.32481530
0.00004284 0.00008715 -0.00013252
0.01625859 -0.00994801 0.01940248
3.26834477 2.09151115 -9.29558644
-0.00013894 -0.00031198 -0.00010733
-0.01246960 0.00279284 -0.01113948
-3.80533815 17.91259005 12.27982100
-0.00007140 -0.00033691 0.00018598
-0.00812391 -0.02792317 -0.03548304
-3.83734618 4.97623717 -11.07867166
-0.00010075 -0.00002137 0.00034807
0.00259752 0.00861679 -0.08717641
-8.02875678 3.06074190 -8.98301810
0.00006657 -0.00038687 0.00009495
0.00208578 0.01257112 -0.01656818
2.17342537 27.38985001 8.55170510
0.00037240 0.00016116 0.00008357
-0.01139250 -0.00956948 0.01729136
9.88261041 -6.18188779 -1.91035560
-0.00026745 0.00000644 0.00015952
0.00443418 -0.02768270 0.01070220
-8.77112009 0.74382758 5.96925670
0.00000635 0.00007106 0.00017872
-0.00027314 -0.03315818 0.01095448
20.36427220 10.76261246 8.89137464
-0.00005802 0.00010099 0.00007273
0.00866730 0.02368115 -0.02776441
-2.43775201 -2.14091126 -27.20559634
0.00059710 -0.00002967 -0.00011437
0.03298115 0.02221493 -0.03153611
-14.31555259 6.12297611 7.61478867
-0.00006702 0.00017879 0.00026880
0.00458146 -0.00466469 0.00738250
-9.66130743 7.26385725 -2.56552337
0.00034739 0.00012191 0.00015169
-0.00717701 -0.00199272 0.00154320
-1.74068564 -15.62793350 23.72939808
0.00006713 0.00039640 -0.00049619
-0.04949784 -0.01798468 0.01934740
-2.63677239 6.31472074 -6.32214357
-0.00003099 -0.00008538 0.00022132
0.01180356 -0.00786671 -0.00698612
-20.08244039 31.06472449 4.36781870
0.00019807 -0.00016203 -0.00040600
-0.05068843 -0.00364828 0.02259502
7.59947775 0.05803053 7.97096565
0.00003453 0.00019763 -0.00031717
-0.01091921 0.01616539 -0.04885132
5.63004945 11.43868530 -13.76899924
0.00007765 0.00034490 0.00023405
-0.02285516 0.00709178 -0.01833779
15.61223215 2.93450191 -1.95564293
-0.00033533 -0.00044072 0.00007543
0.01561497 -0.00062633 0.01160570
-4.28137037 13.54907317 -0.98815474
-0.00027398 -0.00020538 0.00023873
0.00681743 -0.00545221 -0.01182217
4.56717546 12.47230378 3.19867347
-0.00005081 -0.00044938 -0.00024908
0.03471721 0.02522307 -0.01087625
24.92607292 -11.70485992 -9.66998997
0.00038599 0.00015758 -0.00042256
-0.00001240 0.00034892 0.00160990
16.47505084 -3.82082404 -0.45310946
0.00018251 0.00010050 -0.00022326
-0.02233703 0.01655422 -0.00568174
12.96273103 7.94610892 10.00058560
0.00007618 0.00011472 0.00021174
-0.00544564 -0.01354868 0.02492508
1.60663493 -13.93216734 17.66325919
0.00001482 -0.00021321 -0.00000793
0.00629248 0.03233050 0.00904581
-4.28881627 -0.71897277 -14.37024386
0.00035633 -0.00009032 0.00034886
0.02946865 0.03892964 -0.05479686
15.12501494 -7.87647853 -8.98935636
0.00006294 0.00053899 0.00009950
-0.06212003 -0.04918348 -0.00314671
8.60843188 -6.83174372 8.69034032
-0.00033087 -0.00044419 0.00027559
0.00766501 -0.01134024 0.01249491
-21.28386940 2.31608027 22.70437396
0.00018053 0.00000595 0.00019899
-0.00087539 -0.02223240 -0.00033206
25.76265793 -3.22874088 -7.93562632
-0.00016442 -0.00014158 -0.00020968
-0.00531628 0.01194028 -0.00727518
9.82596213 -14.12718745 -7.88928850
0.00002856 0.00013567 -0.00043527
0.01463206 0.04255017 -0.00615534
-6.53243066 -12.33690736 16.87274052
-0.00037485 -0.00035872 0.00029728
-0.00721667 -0.01707385 -0.02124978
8.18463652 3.43008772 -29.37936659
-0.00015405 -0.00022053 0.00015951
-0.04274228 0.00102273 -0.02480759
10.85284863 15.43683062 15.30557148
0.00003445 -0.00023901 0.00033088
0.00071431 0.01588813 -0.01357275
28.58840973 6.04462245 -3.17114846
0.00013892 0.00010217 -0.00032960
-0.01642835 0.02270961 0.00506510
5.46817428 -31.17896031 -3.24177887
0.00041726 -0.00011481 0.00014860
-0.01082192 -0.00198200 0.00072001
3.98415192 -31.70810689 -0.68378614
0.00061159 0.00017420 0.00016330
0.00589377 0.01066680 -0.00586469
-11.65735328 -3.69773497 -8.70425708
0.00007078 0.00084803 -0.00018219
0.00124056 -0.00856573 0.00916041
-12.66868158 -1.90929201 -10.66444158
0.00039681 0.00094762 0.00045683
-0.00359354 0.00813466 -0.01126011
-38.99606027 2.08490323 0.90190210
-0.00062109 -0.00036347 0.00016370
-0.01333275 -0.00445627 0.00993227
-37.79857995 3.97933415 -0.87145384
-0.00031827 -0.00020790 -0.00000482
-0.00855921 0.03347649 -0.02175870
-10.74236161 -5.57679392 3.65285951
0.00065318 0.00043186 0.00003803
0.02500562 -0.03648356 -0.00849346
-10.46216410 -2.72040442 3.62853015
-0.00063667 -0.00038395 0.00002250
0.01115394 0.00699968 -0.00210346
5.20176279 -2.54862547 8.40231953
-0.00092868 -0.00076801 0.00015521
-0.00236583 0.00508518 0.00646108
4.80541680 -3.60357244 11.10576818
0.00004398 -0.00007766 -0.00068686
-0.00831715 0.00335115 0.00330172
-33.36161943 -1.77542209 -0.75947189
0.00002021 0.00022120 0.00015907
-0.00193890 -0.00478351 0.00047004
-32.70622773 0.59708379 0.70029092
0.00026514 -0.00005602 0.00049852
0.01747861 -0.01727748 -0.02746349
14.63835612 12.70714710 -15.88998599
-0.00010235 -0.00038345 -0.00047301
0.00065789 -0.00063141 0.05034424
16.26284785 11.92712061 -13.46743046
-0.00090378 0.00028855 -0.00031155
0.04583242 -0.01375889 0.00766230
-8.69662087 7.05184514 1.46224245
-0.00052807 0.00060793 0.00044835
-0.00557486 0.01450339 -0.00754861
-7.46423916 4.64538177 1.44157341
0.00009144 -0.00037052 0.00016163
0.01407675 -0.04968290 -0.03970032
6.13281346 12.30749592 -6.85402791
0.00035370 0.00001966 -0.00011745
0.00862796 0.00390998 0.00958823
8.83780164 13.64757156 -6.74016451
0.00028072 0.00054056 -0.00090569
0.00011262 -0.00047491 0.00935327
8.48187402 8.86958557 -20.44801958
-0.00016085 0.00014483 0.00052070
0.00443913 -0.00460185 -0.01809027
10.19932642 11.05413229 -19.33655511
-0.00109339 0.00079166 -0.00087239
0.01892043 0.00251984 -0.00970439
23.84317250 15.52822992 -2.62737741
-0.00071134 -0.00037617 0.00022184
-0.00178881 0.03318415 0.00592220
24.96920502 18.20137139 -2.37819372
0.00006475 -0.00028483 0.00040401
-0.00340433 0.00897228 0.00312588
1.37849532 16.71697454 -21.18383691
-0.00048576 -0.00023860 -0.00097931
0.02263368 0.01608698 0.02013855
2.81053035 15.20261901 -19.11306796
0.00095662 0.00007847 0.00023336
0.01758895 -0.01897290 0.00421259
12.88048262 -0.63951737 -6.79151784
-0.00062017 0.00088961 0.00013040
-0.00905129 -0.01339406 0.00798421
13.34095207 -1.33486350 -3.81902944
0.00061745 0.00014767 -0.00049539
-0.01410494 0.01009571 -0.00091101
-17.26809671 -2.96956651 3.14665437
0.00060849 0.00109228 -0.00109346
-0.01537287 0.01514348 -0.00595626
-14.65963316 -2.61227568 3.59936855
-0.00033729 -0.00004447 0.00024893
0.01944731 0.00534616 -0.00568455
-16.08894654 -0.35620137 19.99610529
-0.00055196 -0.00063743 0.00053684
-0.01387395 -0.00291190 -0.00205520
-15.50865492 -3.10418908 19.40528762
-0.00038139 0.00023444 0.00006590
-0.00905011 0.00573263 0.00093634
-0.91445065 0.68308120 -5.20062406
0.00036748 0.00023313 0.00033412
0.01912745 -0.00502120 0.00549712
-0.78758166 3.43752245 -4.98678106
-0.00019742 0.00022257 -0.00021217
0.00116920 0.01469420 0.00457525
23.28771782 -8.74940852 -9.25553355
0.00055037 0.00012857 0.00030651
0.02578476 -0.02993574 -0.00558239
23.69175398 -5.79239752 -8.65439293
0.00098133 -0.00010769 -0.00047246
0.01824210 0.00102956 0.00374349
0.43886006 -5.84088156 5.83916218
-0.00015779 -0.00020157 -0.00049738
-0.00390415 -0.01053921 -0.00632144
0.00874073 -5.23113206 8.48676685
0.00071068 -0.00080578 0.00042217
-0.00144705 -0.00783160 0.01255135
-0.94285130 -2.95507795 -18.79129552
0.00113146 -0.00043911 0.00028267
-0.00020452 0.01076884 -0.00402588
-2.98897758 -1.99871191 -20.52874654
0.00005543 0.00083515 -0.00027802
-0.02018141 -0.00394646 -0.01391619
2.65476842 2.22241246 -11.06726125
-0.00010544 -0.00001212 0.00043812
0.00858562 0.00770172 0.02511145
2.00864242 2.81745395 -8.09373135
0.00030609 0.00031943 0.00069785
0.01044996 -0.01527429 -0.01079937
-2.44290863 16.68003922 12.50971219
-0.00077559 0.00041371 -0.00064753
0.00748997 0.00312043 0.00469661
-3.49448094 19.29422392 13.32685445
0.00003898 -0.00007049 0.00035453
0.00855735 0.02261168 0.02845021
-4.66321834 6.33586842 -12.21380948
-0.00086074 0.00035920 0.00046410
0.01597877 -0.02753113 0.03790240
-3.25877448 3.76523107 -12.48290096
-0.00080014 -0.00005745 -0.00082716
-0.01345368 0.01862700 0.03967575
-7.90208294 2.15654426 -7.44190270
-0.00017318 -0.00001508 -0.00021591
0.00990712 -0.00395415 0.01232815
-6.31636621 3.60207635 -9.46584396
0.00123866 -0.00001474 -0.00029080
-0.01508755 -0.00630379 0.00619789
2.30999180 28.30799353 7.01693074
0.00102447 -0.00031364 0.00057499
0.00578677 0.00776054 -0.02091326
0.53113264 27.89390111 9.15625613
0.00010042 0.00079861 0.00052915
0.00076215 -0.00040012 0.00286866
10.70044041 -7.39252377 -0.69190234
-0.00018180 -0.00080306 -0.00026024
-0.00626721 0.02237864 -0.01238495
8.71595722 -7.30894221 -2.80541638
-0.00024532 0.00021023 -0.00049228
0.00343717 0.00638220 0.00503634
-6.95187814 0.42284781 6.27473377
0.00058232 0.00071862 -0.00003981
-0.00901574 0.00110603 0.00160439
-9.43366708 -0.78736544 6.85063931
-0.00012387 0.00075681 -0.00023791
0.00228336 0.02874124 -0.00979237
21.73112366 10.05179340 9.85817715
-0.00017794 0.00006470 -0.00059432
0.00459350 0.00646968 0.00850120
21.00316770 12.44566360 8.18716305
0.00034497 0.00003751 -0.00025981
-0.01180968 -0.02416566 0.01935173
-1.61066226 -3.54555850 -26.47536945
-0.00048502 0.00020745 -0.00068570
0.01640843 -0.01572990 0.01449888
-4.11836064 -2.19171409 -26.76756740
0.00044359 0.00000498 -0.00028759
-0.05133822 -0.00158230 0.01525132
-14.17387600 7.24731414 9.04405886
0.00066294 -0.00021226 0.00046838
0.00397677 -0.00347310 0.00479830
-15.24528557 7.20475142 6.50949174
-0.00075342 -0.00037885 0.00038282
-0.00374595 0.00374389 -0.01245114
-11.17538296 7.07066049 -3.52754169
0.00016233 0.00114016 0.00064796
-0.01554187 -0.00489897 0.00240956
-8.74720004 8.33403579 -3.74863462
-0.00012209 -0.00028133 0.00014430
0.01472652 0.00201653 0.00423829
-1.27458240 -17.42994201 23.44968330
-0.00012678 0.00006723 -0.00022350
0.00962897 0.01353827 -0.00378558
-3.57993781 -15.82650941 24.34006068
-0.00113475 -0.00027392 -0.00024430
0.04364997 0.01364487 -0.01689927
-2.62164714 5.86899959 -8.10488480
0.00103229 0.00058464 -0.00049100
0.00123725 -0.00163628 0.00140667
-3.86585205 7.63369128 -6.27489229
-0.00114593 -0.00014765 0.00008607
-0.01970588 0.01140835 0.00893614
-21.19991365 30.53688060 2.95853586
0.00001372 -0.00036414 0.00084271
-0.00109857 -0.00976418 0.00779936
-21.35510060 31.90486524 5.54596006
0.00020457 -0.00141995 0.00006089
0.02387498 -0.01830610 -0.02195834
7.05539411 0.00488417 6.10625579
0.00014767 -0.00019397 -0.00054631
0.00667745 -0.01885219 0.02824773
7.51543327 1.88628978 8.00885890
0.00048497 0.00037729 -0.00049953
0.00127990 0.00642852 0.01933876
6.94820634 12.77327952 -13.96390943
0.00076291 -0.00010237 -0.00092628
-0.00744587 -0.00419396 0.00490528
4.27048569 11.96551640 -14.99226307
0.00093802 -0.00083261 0.00113452
0.03121115 -0.00765266 0.02256851
14.51171083 3.79519230 -3.11086480
0.00007142 -0.00028788 -0.00012574
-0.00489489 0.00320452 0.00095022
15.13946753 1.17508954 -1.89817507
0.00008135 0.00038656 0.00006535
-0.00070060 0.00755286 -0.00396172
-2.57657282 13.39868597 -0.41265206
-0.00050502 -0.00047622 0.00037260
0.00812125 -0.00186645 -0.00086499
-5.27378890 12.87152949 0.38522913
0.00054778 -0.00009619 0.00056995
-0.01152910 -0.00050965 0.00639008
3.83045133 10.80971510 3.48821274
0.00061778 0.00101044 -0.00009350
-0.00673921 -0.00690776 0.00389484
6.42799548 12.16942211 3.38477378
0.00045564 -0.00055018 -0.00073534
-0.02330575 -0.00031381 -0.00453059
25.22701730 -13.03633382 -8.44679588
-0.00040481 0.00082031 0.00075197
0.00010507 0.00302565 -0.00434250
26.29670337 -11.51396779 -10.91735497
-0.00047179 0.00012121 0.00034592
-0.00058861 -0.00510413 -0.00050134
14.69674863 -4.08587589 -0.89485814
0.00021018 0.00039375 0.00058428
0.01603681 0.00970780 0.01097091
17.14431636 -5.44854549 -0.81974733
-0.00014864 0.00065394 0.00041900
0.01313912 -0.02269671 -0.00150828
12.21213891 7.94045998 11.78679066
0.00070420 0.00006132 0.00030461
0.01133355 0.00867622 -0.03830176
13.25477961 9.62800527 9.30417750
0.00075394 0.00004500 0.00088588
-0.00441848 0.00489320 0.01026207
-0.12999432 -14.32675014 17.16270544
-0.00068138 0.00016162 0.00015580
0.00093892 -0.00899266 -0.00236237
1.52259298 -12.16337938 18.27664684
-0.00071352 -0.00047697 -0.00014575
0.00563981 -0.02311501 -0.00776708
-3.87470691 -2.27945393 -13.62081182
0.00033002 0.00017538 -0.00033787
0.00330727 -0.02600702 0.01556557
-3.17155271 -0.57754733 -15.96887645
-0.00037800 -0.00064425 0.00016616
-0.02559925 -0.01069202 0.03541688
13.98223816 -8.17907014 -10.47622642
0.00020666 -0.00015012 0.00070992
0.03588856 0.00860666 0.01058180
16.23865628 -6.51543694 -9.26394685
0.00056990 -0.00024511 -0.00048610
0.02117967 0.03573190 -0.01473106
7.26099778 -5.71002953 9.15398377
-0.00046308 0.00041889 -0.00064702
-0.02272906 0.00299690 0.00803956
9.27850386 -5.89724068 7.33336616
-0.00019954 -0.00094473 0.00059413
0.02017479 0.00804121 -0.02453196
-21.36546141 1.91703722 20.91544395
-0.00101610 -0.00033038 -0.00057415
0.00284275 0.01132485 -0.00990757
-21.81718244 0.65704226 23.36940799
-0.00033499 0.00075681 0.00092959
-0.00091907 0.01387769 0.00838435
26.56359832 -3.01156271 -6.31373352
0.00045268 -0.00020074 -0.00058824
0.00091855 0.00464192 0.00564409
25.12246949 -1.51890566 -8.32495586
-0.00010748 0.00019919 -0.00057944
0.00720038 -0.00753617 0.00276904
9.12638063 -15.74316832 -7.64490263
0.00049252 -0.00031613 -0.00013751
-0.00996114 -0.02729096 0.00520710
8.80622184 -12.82080947 -7.07386198
0.00052282 0.00032942 0.00042790
0.00546401 -0.00855620 -0.00059630
-5.79333532 -11.15202341 17.96192000
-0.00069618 -0.00024766 -0.00009981
0.01569093 0.02380813 0.02303856
-7.35660529 -11.33534217 15.60002598
-0.00003085 -0.00001830 -0.00003745
0.00256139 0.00585289 -0.00788073
8.67712740 1.71828190 -29.41574290
-0.00134413 -0.00024234 0.00015350
0.02249063 -0.02444616 0.00365394
6.62897850 3.20105248 -30.46607692
-0.00098833 0.00004451 0.00056707
0.01209197 0.01082325 0.01647776
12.48738079 15.17782935 14.42239669
-0.00042534 0.00099458 -0.00009033
0.00985795 -0.00035397 0.01310401
11.07960743 15.92710262 17.06721779
-0.00052743 -0.00059050 -0.00080199
0.00872465 0.00052614 -0.00281328
29.37773775 4.90761032 -4.36342790
0.00067557 -0.00045177 0.00022604
-0.00892231 -0.00278874 -0.01024866
26.84857974 6.51335887 -3.71605558
-0.00017695 -0.00001760 -0.00027533
0.01852121 -0.00757070 0.00183056
-9.94932215 4.86671980 6.82117822
0.00003184 -0.00008386 -0.00023772
-0.00206336 0.00563919 -0.00113617
-8.69087298 13.28324537 2.59502964
-0.00005527 0.00007126 0.00000671
-0.00270876 -0.00157792 -0.00143872
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09578168
0.28094881
374.35021001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.601 s
total exchange = -52.4200855004 (a.u.)
total exchange computation time: 2.7404429913 s
-154.2608449684
-931.37394597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.597 s
total exchange = -52.4194604730 (a.u.)
total exchange computation time: 2.7361371517 s
-154.2669631013
Anderson extrapolation: theta=1.3639670181 (1.3639670181)
-931.37417546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.4184851184 (a.u.)
total exchange computation time: 2.7359549999 s
-154.2761163147
Anderson extrapolation: theta=0.0586122504 (0.0586122504)
-931.37431838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.600 s
total exchange = -52.4183328653 (a.u.)
total exchange computation time: 2.7369861603 s
-154.2773127706
Anderson extrapolation: theta=2.1309469676 (2.0000000000)
-931.37432543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.602 s
total exchange = -52.4180034220 (a.u.)
total exchange computation time: 2.7370781898 s
-154.2798045834
Anderson extrapolation: theta=0.3144239456 (0.3144239456)
-931.37433427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.4179004364 (a.u.)
total exchange computation time: 2.7372288704 s
-154.2805014359
Anderson extrapolation: theta=1.4619066140 (1.4619066140)
-931.37433657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.598 s
total exchange = -52.4177796384 (a.u.)
total exchange computation time: 2.7362289429 s
-154.2812302890
Anderson extrapolation: theta=0.3914942212 (0.3914942212)
-931.37433908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.597 s
total exchange = -52.4177636780 (a.u.)
total exchange computation time: 2.7397849560 s
-154.2812325204
Anderson extrapolation: theta=1.0358908440 (1.0358908440)
-931.37433994
-71.860210 23.269970 142.240113
559.025689 1031.466702 -412.646073
487.165479 1054.736672 -270.405960
1192.861700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.597 s
total exchange = -52.4177716114 (a.u.)
total exchange computation time: 2.7370541096 s
679.53572914
-1085.15182588
89.86139161
-388.22601658
-174.97584726
79.07830186
551.60419304
0.00000000
-931.37434058
3.92875129 -30.75619266 -2.27916917
0.00004353 -0.00017771 0.00000070
0.01470796 -0.03101822 0.00578122
-11.61398175 -1.94435320 -9.20275553
0.00021910 0.00027941 -0.00014083
-0.00114388 0.00964721 0.00389975
-37.47582914 2.48724666 0.03856734
0.00005293 -0.00002702 0.00020466
0.01915661 -0.03899778 0.01791694
-11.64464636 -4.06886340 3.82943877
-0.00020916 -0.00012449 0.00004795
-0.03250020 0.02580174 0.01499356
4.39142213 -3.90563532 9.33456765
-0.00030698 -0.00003022 -0.00029649
0.00048743 -0.01003643 -0.00590259
-31.95040908 -0.63794975 -0.52854501
-0.00038364 0.00057630 0.00034800
-0.03196238 0.01325378 0.02968828
14.70595686 12.60730185 -13.90339137
-0.00047877 -0.00002818 0.00038532
-0.05070022 0.01532606 -0.06214536
-7.69764315 5.98832790 2.52153594
-0.00000533 0.00020281 0.00013335
-0.00606886 0.03086300 0.04271821
7.58175183 12.59733519 -5.73412795
-0.00003209 -0.00013365 -0.00024958
-0.02242669 -0.01335618 -0.01592496
8.87916013 9.85933994 -19.00923738
-0.00008139 0.00004307 0.00010700
-0.01557965 -0.00086399 0.02706985
23.36878815 17.32608820 -2.14918971
0.00004524 -0.00003475 -0.00012578
-0.01757002 -0.02801462 -0.00749216
2.27137340 16.89175972 -19.47285323
-0.00011061 -0.00004753 -0.00033386
-0.03461217 0.01002267 -0.01973920
14.00880604 -1.27283766 -5.49938906
-0.00004311 0.00024567 -0.00026754
0.02247366 -0.00361075 -0.01685881
-16.08057463 -1.52946424 3.18478576
-0.00000207 0.00034493 -0.00001651
-0.00338032 -0.01964873 0.01074195
-16.85052540 -1.86279296 19.15760494
0.00049827 -0.00025826 -0.00044090
0.02419931 -0.00124943 0.00399890
0.38841640 2.03829851 -4.99804728
0.00012133 -0.00019064 0.00017770
-0.02158488 0.00084528 -0.00447989
22.56276232 -7.18142675 -8.90371160
0.00013974 0.00008003 0.00013506
-0.04396900 0.03200241 0.00572163
-0.60992456 -6.42136311 7.24754527
-0.00022423 0.00010984 0.00000764
0.00947775 0.01202551 -0.00872139
-1.79262357 -1.39760245 -19.32672831
0.00005223 0.00008093 -0.00012171
0.02026883 -0.01423508 0.02265289
3.26621263 2.08684218 -9.29723943
-0.00014538 -0.00031035 -0.00011167
-0.01258178 0.00355043 -0.00572023
-3.80644047 17.90742868 12.28247381
-0.00007683 -0.00034915 0.00016803
-0.01298578 -0.01966573 -0.03429620
-3.83884734 4.97594989 -11.07378687
-0.00009957 -0.00001699 0.00030238
0.00196206 0.00841530 -0.09049928
-8.02775021 3.05498739 -8.98165777
0.00006938 -0.00037927 0.00008498
0.00886183 0.01696894 -0.02219542
2.17896739 27.39223043 8.55302528
0.00036544 0.00015583 0.00009401
-0.01565240 -0.01114473 0.02332928
9.87861578 -6.18189792 -1.90792156
-0.00026519 -0.00000825 0.00016506
0.00435606 -0.02944819 0.01084780
-8.77102590 0.74476554 5.97197980
0.00000728 0.00005509 0.00018379
0.00389846 -0.02893622 0.00874162
20.36343539 10.76421858 8.89235852
-0.00005406 0.00011362 0.00005797
0.00671463 0.02545273 -0.02964970
-2.42866831 -2.14127066 -27.20743350
0.00061245 -0.00001680 -0.00013113
0.02670576 0.02785339 -0.03365293
-14.31654018 6.12563995 7.61884911
-0.00006453 0.00017614 0.00027254
0.00510351 -0.00563446 0.00718873
-9.65612427 7.26567823 -2.56324200
0.00034353 0.00012047 0.00015313
-0.00781740 -0.00360281 0.00405857
-1.73986964 -15.62205683 23.72202988
0.00004031 0.00038656 -0.00048583
-0.05480457 -0.02029851 0.02094370
-2.63719165 6.31340967 -6.31885070
-0.00002587 -0.00008855 0.00021686
0.00808060 -0.00443533 -0.01035194
-20.07966490 31.06228003 4.36181592
0.00017274 -0.00016394 -0.00039347
-0.04780944 -0.00379101 0.02612228
7.59995366 0.06105728 7.96601966
0.00002892 0.00020614 -0.00034238
-0.01089869 0.01693788 -0.04919333
5.63112608 11.44388617 -13.76555924
0.00006791 0.00034806 0.00022594
-0.01503752 0.00517844 -0.01321263
15.60726250 2.92788868 -1.95446678
-0.00032672 -0.00043921 0.00008140
0.01784712 0.00650566 0.01161020
-4.28545378 13.54597149 -0.98461938
-0.00027046 -0.00020807 0.00023249
0.00685772 -0.00502307 -0.01243825
4.56654718 12.46566040 3.19489524
-0.00003121 -0.00043399 -0.00025513
0.04153002 0.03463541 -0.01265015
24.93186271 -11.70249483 -9.67632218
0.00038430 0.00015745 -0.00042016
-0.00656695 -0.00086674 0.00772709
16.47770239 -3.81925266 -0.45648025
0.00017097 0.00011050 -0.00022575
-0.02256051 0.02231382 -0.00402714
12.96385266 7.94777742 10.00385780
0.00007351 0.00010741 0.00022446
-0.00491028 -0.01487043 0.02454894
1.60688155 -13.93524076 17.66317514
0.00001700 -0.00019711 -0.00000376
0.00217813 0.03027677 0.00716713
-4.28335763 -0.72017744 -14.36522234
0.00037100 -0.00006951 0.00032051
0.02758158 0.04201016 -0.05544520
15.12571935 -7.86858339 -8.98787593
0.00003118 0.00051357 0.00009865
-0.06134998 -0.04965934 -0.00016782
8.60349845 -6.83845037 8.69452235
-0.00032790 -0.00044977 0.00028284
0.00385459 -0.01033922 0.01571768
-21.28116479 2.31608372 22.70735752
0.00018008 -0.00000525 0.00019713
-0.00088075 -0.02131548 -0.00691010
25.76017114 -3.23081852 -7.93879962
-0.00016728 -0.00013496 -0.00021374
-0.00582626 0.01381119 -0.00848622
9.82644704 -14.12498826 -7.89584134
0.00003567 0.00015711 -0.00043821
0.01301498 0.04084153 -0.00527059
-6.53808120 -12.34235401 16.87711772
-0.00037894 -0.00036739 0.00028549
-0.00868418 -0.01663848 -0.02460784
8.18216086 3.42678375 -29.37706967
-0.00017663 -0.00021950 0.00014650
-0.04506462 0.00296511 -0.02576031
10.85336818 15.43330679 15.31048227
0.00003403 -0.00023133 0.00032186
-0.00237550 0.01397780 -0.02148836
28.59043013 6.04624258 -3.17607291
0.00013042 0.00011367 -0.00032716
-0.01660349 0.02202297 0.00443118
5.47410154 -31.18074314 -3.23952786
0.00037044 -0.00012216 0.00015210
-0.01209755 -0.00161858 0.00099671
3.99350633 -31.70516704 -0.68151637
0.00063468 0.00021733 0.00013992
0.00540815 0.01044640 -0.00557823
-11.65625352 -3.68527699 -8.70670920
0.00007533 0.00080569 -0.00014335
0.00098423 -0.01216169 0.00985095
-12.66283956 -1.89482850 -10.65793414
0.00037660 0.00098074 0.00040317
-0.00629932 0.00807758 -0.01500611
-39.00578520 2.07931457 0.90466203
-0.00066611 -0.00037881 0.00019871
-0.00870437 -0.00305127 0.00720537
-37.80361623 3.97724145 -0.87219291
-0.00035300 -0.00007245 -0.00009297
-0.00844539 0.03282659 -0.02139306
-10.73179761 -5.57143394 3.65316967
0.00075418 0.00028270 0.00000368
0.02443082 -0.03653452 -0.00831940
-10.47137241 -2.72594924 3.62880315
-0.00058688 -0.00034838 0.00001318
0.01321876 0.01041590 -0.00245896
5.18776013 -2.55998974 8.40484573
-0.00093169 -0.00073536 0.00017235
0.00089280 0.01089358 0.00192942
4.80582169 -3.60463461 11.09556640
0.00001047 -0.00006375 -0.00066874
-0.00808766 0.00345887 0.00556804
-33.36137569 -1.77225067 -0.75707144
0.00001149 0.00020196 0.00016126
-0.00232810 -0.00463235 0.00059990
-32.70171496 0.59571404 0.70692720
0.00033288 -0.00012222 0.00039062
0.01568076 -0.01512750 -0.02535492
14.63684105 12.70137604 -15.89553840
-0.00010112 -0.00038545 -0.00026515
-0.00005691 -0.00034689 0.05140354
16.25069558 11.93102719 -13.47186899
-0.00070501 0.00022766 -0.00027654
0.05146934 -0.01604546 0.00947582
-8.70471271 7.06140859 1.46873639
-0.00054672 0.00066181 0.00042017
-0.00355407 0.01186909 -0.00624676
-7.46243621 4.63830148 1.44278128
0.00014606 -0.00056313 0.00000569
0.01265790 -0.04460054 -0.03663439
6.13838330 12.30791069 -6.85549585
0.00038381 0.00003432 -0.00008145
0.00611072 0.00326377 0.00803528
8.84201593 13.65566534 -6.75346331
0.00027658 0.00053393 -0.00086227
-0.00213835 -0.00276993 0.01190486
8.47959729 8.87161700 -20.44076346
-0.00014492 0.00012209 0.00044180
0.00336053 -0.00652731 -0.02052850
10.18350528 11.06608443 -19.34993840
-0.00101549 0.00080230 -0.00091143
0.01921511 0.00269042 -0.00940213
23.83244757 15.52360417 -2.62386827
-0.00071720 -0.00023963 0.00024532
-0.00107855 0.03365703 0.00556875
24.97007191 18.19737384 -2.37203780
0.00005326 -0.00024804 0.00041567
-0.00221651 0.00903748 0.00258019
1.37190248 16.71388853 -21.19790950
-0.00039000 -0.00017342 -0.00089154
0.02424065 0.01582016 0.02282919
2.82541865 15.20321472 -19.10943850
0.00102559 0.00000595 0.00024812
0.01616934 -0.01652744 0.00301254
12.87090271 -0.62658365 -6.78931725
-0.00065400 0.00083321 0.00016588
-0.00750883 -0.01421317 0.00938598
13.34978167 -1.33233902 -3.82648818
0.00055721 0.00018846 -0.00049178
-0.01538598 0.00986808 0.00267686
-17.25944045 -2.95271828 3.13007002
0.00053652 0.00114475 -0.00111779
-0.01985815 0.01054234 -0.00595465
-14.66409653 -2.61277889 3.60292832
-0.00025770 -0.00002185 0.00022575
0.01950852 0.00572761 -0.00566380
-16.09765106 -0.36585213 20.00409485
-0.00060659 -0.00064627 0.00052926
-0.01286794 -0.00141069 -0.00165188
-15.51465312 -3.10049686 19.40630478
-0.00040846 0.00024879 0.00007117
-0.00419884 0.00129352 0.00164382
-0.90835233 0.68642429 -5.19544386
0.00044186 0.00020814 0.00035552
0.01728323 -0.00721020 0.00497888
-0.79050718 3.44131124 -4.98982334
-0.00018752 0.00027649 -0.00019353
0.00367672 0.01170200 0.00454456
23.29676349 -8.74839732 -9.25110702
0.00065368 0.00000827 0.00028393
0.02478485 -0.02895186 -0.00546616
23.70703290 -5.79398127 -8.66136514
0.00105128 -0.00010646 -0.00045741
0.01599824 -0.00043086 0.00362230
0.43637354 -5.84422811 5.83150782
-0.00017618 -0.00024528 -0.00051896
-0.00509713 -0.01085724 -0.00424450
0.01935654 -5.24345874 8.49348407
0.00070522 -0.00083761 0.00047219
-0.00122614 -0.00775188 0.01193135
-0.92588573 -2.96133463 -18.78717877
0.00112245 -0.00038393 0.00026022
-0.00420538 0.01624393 -0.00696672
-2.98876447 -1.98630565 -20.53334328
-0.00002687 0.00081638 -0.00033533
-0.02010670 -0.00524046 -0.01413808
2.65344988 2.22246667 -11.05992003
-0.00007290 0.00002009 0.00053380
0.00734523 0.00806280 0.02172747
2.01355402 2.82177734 -8.08359458
0.00035146 0.00025451 0.00064981
0.01175873 -0.01650432 -0.01271310
-2.45431302 16.68634044 12.50014314
-0.00073337 0.00041677 -0.00062609
0.01317680 -0.00161877 0.00579776
-3.49363408 19.29385945 13.33304420
0.00007276 0.00001523 0.00046586
0.00798052 0.01934792 0.02604511
-4.67563987 6.34041279 -12.20568658
-0.00079352 0.00024428 0.00062091
0.01692588 -0.02872108 0.03885766
-3.27118879 3.76494013 -12.49409254
-0.00085554 0.00002161 -0.00066049
-0.01366576 0.02007072 0.04190977
-7.90437709 2.15619686 -7.44476357
-0.00013159 -0.00003501 -0.00015882
0.01045505 -0.00579977 0.01561566
-6.29824870 3.60166212 -9.47001598
0.00116216 -0.00004532 -0.00026095
-0.02235938 -0.00866690 0.00841188
2.32553623 28.30352667 7.02491467
0.00104804 -0.00027676 0.00048140
0.00574653 0.01029480 -0.02489751
0.53266223 27.90586807 9.16428124
0.00011190 0.00079481 0.00053674
0.00485911 -0.00146276 0.00084971
10.69752140 -7.40388393 -0.69618546
-0.00020854 -0.00070941 -0.00031227
-0.00682476 0.02346562 -0.01308201
8.71238279 -7.30559315 -2.81264619
-0.00023002 0.00023757 -0.00047041
0.00405229 0.00699752 0.00566880
-6.94341961 0.43366099 6.27418585
0.00053891 0.00072228 -0.00003328
-0.01223546 0.00068526 0.00158897
-9.43545511 -0.77513261 6.84677061
-0.00011641 0.00086604 -0.00027321
0.00136576 0.02472879 -0.00748619
21.72859531 10.05296211 9.84952293
-0.00015438 0.00008832 -0.00055594
0.00694040 0.00509371 0.01028390
21.00798030 12.44548576 8.18385897
0.00029566 -0.00006196 -0.00018050
-0.01232357 -0.02452581 0.01946978
-1.61743471 -3.54292871 -26.48521068
-0.00041027 0.00013070 -0.00062061
0.02017923 -0.02184315 0.01736353
-4.11327989 -2.19168780 -26.77141393
0.00023815 -0.00000064 -0.00022696
-0.04922809 -0.00117234 0.01442712
-14.16381008 7.24402384 9.05123155
0.00067842 -0.00022536 0.00048704
0.00360156 -0.00294139 0.00433557
-15.25670171 7.19918346 6.51485246
-0.00076870 -0.00036272 0.00033345
-0.00373325 0.00415040 -0.01171561
-11.17342431 7.08761271 -3.51774841
0.00009518 0.00111903 0.00065674
-0.01732627 -0.00544049 0.00188481
-8.74858009 8.32987758 -3.74634020
-0.00005781 -0.00026927 0.00015800
0.01673959 0.00388678 0.00246780
-1.27618902 -17.42851877 23.44621483
-0.00008737 0.00012508 -0.00023869
0.00966211 0.01478120 -0.00365260
-3.59562143 -15.83020006 24.33587837
-0.00094609 -0.00021616 -0.00031660
0.04869782 0.01462609 -0.01849175
-2.60612490 5.87771908 -8.11220667
0.00103668 0.00057995 -0.00047755
0.00091309 -0.00066015 0.00517793
-3.88364492 7.63182614 -6.27332740
-0.00121826 -0.00010997 0.00012210
-0.01569624 0.00703442 0.00869880
-21.19974151 30.53111928 2.97141551
0.00000480 -0.00040670 0.00086574
-0.00326580 -0.01106906 0.00347543
-21.35130048 31.88300501 5.54620053
0.00030067 -0.00149183 -0.00002655
0.02316626 -0.01687667 -0.02084324
7.05781374 0.00139698 6.09892671
0.00017483 -0.00026971 -0.00042874
0.00661808 -0.01822645 0.02930412
7.52274706 1.89214617 8.00195857
0.00049001 0.00040076 -0.00042133
0.00118428 0.00505954 0.01894016
6.95942186 12.77161543 -13.97765332
0.00072958 -0.00012144 -0.00090470
-0.00886972 -0.00514049 0.00565862
4.28551238 11.95279274 -14.97455365
0.00105138 -0.00085836 0.00121438
0.02428084 -0.00495305 0.01652155
14.51263219 3.79097229 -3.11272179
0.00005116 -0.00027482 -0.00012200
-0.00502524 0.00318812 0.00087906
15.14066638 1.18111945 -1.89731622
0.00007437 0.00040312 0.00004947
-0.00272046 0.00054900 -0.00380946
-2.58389929 13.39148553 -0.40708950
-0.00046851 -0.00048354 0.00036863
0.00975078 -0.00171790 -0.00108249
-5.26592547 12.87007099 0.39397423
0.00049750 -0.00009932 0.00059754
-0.01308480 -0.00102093 0.00711469
3.83951154 10.82466004 3.48692954
0.00058183 0.00096370 -0.00007485
-0.01085720 -0.01597225 0.00523425
6.43411595 12.16115981 3.37360488
0.00035576 -0.00055091 -0.00075361
-0.02558782 -0.00004598 -0.00441174
25.22094844 -13.02393640 -8.43564943
-0.00040346 0.00083434 0.00073169
0.00055455 0.00384162 -0.00558499
26.28960853 -11.51230607 -10.91218158
-0.00046198 0.00010063 0.00033511
0.00538980 -0.00496868 -0.00478694
14.70039273 -4.07967213 -0.88575783
0.00027170 0.00043258 0.00062775
0.01407681 0.00929737 0.01031015
17.14248939 -5.43943191 -0.81350848
-0.00009089 0.00055062 0.00041047
0.01512929 -0.02787838 -0.00267170
12.22304915 7.94164567 11.79018611
0.00074906 0.00009633 0.00015030
0.01062844 0.00845882 -0.03723332
13.26595335 9.62883025 9.31778012
0.00073605 0.00006751 0.00092593
-0.00433888 0.00612569 0.00934379
-0.14018621 -14.32460143 17.16497009
-0.00067087 0.00012450 0.00014744
0.00420524 -0.00917847 -0.00173308
1.51206298 -12.17124228 18.27422254
-0.00068867 -0.00056684 -0.00017531
0.00652532 -0.02087551 -0.00669938
-3.86965520 -2.27762023 -13.62540283
0.00034478 0.00006160 -0.00027025
0.00391726 -0.02968569 0.01753342
-3.17800719 -0.58753873 -15.96529871
-0.00047970 -0.00068628 0.00030755
-0.02418050 -0.00988189 0.03379363
13.98643779 -8.18105826 -10.46525342
0.00034981 -0.00011542 0.00074814
0.03418543 0.00838132 0.00812761
16.24785380 -6.51801864 -9.27168974
0.00065719 -0.00009827 -0.00054683
0.02154703 0.03614823 -0.01499930
7.25335504 -5.70365435 9.14452481
-0.00055165 0.00042604 -0.00061512
-0.02062367 0.00050443 0.00757681
9.27612892 -5.91116529 7.34152642
-0.00011294 -0.00090872 0.00048801
0.02221745 0.00959020 -0.02741538
-21.38061586 1.91242851 20.90652810
-0.00100357 -0.00028225 -0.00060154
0.00329094 0.01223490 -0.00349785
-21.82223548 0.66881972 23.38360874
-0.00033947 0.00080959 0.00096396
-0.00127197 0.01195452 0.00844110
26.57041664 -3.01443163 -6.32238412
0.00045621 -0.00018131 -0.00056453
0.00081173 0.00487124 0.00595841
25.12107787 -1.51614878 -8.33356261
-0.00007639 0.00016436 -0.00056644
0.00802167 -0.00951222 0.00359318
9.13346315 -15.74874656 -7.64680567
0.00045384 -0.00042154 -0.00011642
-0.00896929 -0.02430947 0.00511457
8.81423160 -12.81613040 -7.06746173
0.00054599 0.00029170 0.00042410
0.00587651 -0.00990474 -0.00126610
-5.80329716 -11.15500871 17.96112889
-0.00062979 -0.00014787 -0.00000229
0.01680762 0.02504076 0.02469409
-7.35698953 -11.33543730 15.59922273
-0.00001885 0.00000257 -0.00006707
0.00331418 0.00436034 -0.00661625
8.65765457 1.71389769 -29.41332843
-0.00125068 -0.00034681 0.00016863
0.02325570 -0.02669429 0.00375434
6.61452414 3.20205178 -30.45706599
-0.00093548 0.00008959 0.00063576
0.01377721 0.01124409 0.01714886
12.48130283 15.19273724 14.42144336
-0.00038128 0.00099224 -0.00003839
0.01170999 -0.00079405 0.01231955
11.07196329 15.91826130 17.05510169
-0.00048886 -0.00058319 -0.00079606
0.01015911 0.00305222 0.00571797
29.38759785 4.90074825 -4.36035139
0.00063667 -0.00046072 0.00018578
-0.01011622 -0.00159170 -0.00945617
26.84649307 6.51286294 -3.72012943
-0.00009854 -0.00004957 -0.00026773
0.01985836 -0.00808135 0.00188906
-9.94885010 4.86547705 6.81760939
0.00003108 -0.00008180 -0.00023810
-0.00218652 0.00588787 -0.00099346
-8.69170669 13.28431148 2.59512786
-0.00005592 0.00007090 0.00000643
-0.00290252 -0.00150756 -0.00099481
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09646550
0.27787508
370.25461128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.691 s
total exchange = -52.4262124312 (a.u.)
total exchange computation time: 2.7378330231 s
-154.2912103438
-931.37201418
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.686 s
total exchange = -52.4255540791 (a.u.)
total exchange computation time: 2.7367670536 s
-154.2976982960
Anderson extrapolation: theta=1.3729813450 (1.3729813450)
-931.37224892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.687 s
total exchange = -52.4245703924 (a.u.)
total exchange computation time: 2.7380869389 s
-154.3071135774
Anderson extrapolation: theta=0.0624998619 (0.0624998619)
-931.37239551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.4244503753 (a.u.)
total exchange computation time: 2.7357299328 s
-154.3081030091
Anderson extrapolation: theta=2.1979368503 (2.0000000000)
-931.37240274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.693 s
total exchange = -52.4242043579 (a.u.)
total exchange computation time: 2.7359781265 s
-154.3100362126
Anderson extrapolation: theta=0.3397646468 (0.3397646468)
-931.37241125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.685 s
total exchange = -52.4241340124 (a.u.)
total exchange computation time: 2.7367880344 s
-154.3105030751
Anderson extrapolation: theta=1.2293163531 (1.2293163531)
-931.37241323
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.690 s
total exchange = -52.4240773870 (a.u.)
total exchange computation time: 2.7358229160 s
-154.3107721374
Anderson extrapolation: theta=0.4195201613 (0.4195201613)
-931.37241489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.692 s
total exchange = -52.4240819180 (a.u.)
total exchange computation time: 2.7370300293 s
-154.3106105570
Anderson extrapolation: theta=0.9028108577 (0.9028108577)
-931.37241547
-71.859320 23.317622 142.183231
559.031295 1031.478416 -412.623160
487.171976 1054.796038 -270.439929
1192.924546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.4241057343 (a.u.)
total exchange computation time: 2.7375609875 s
679.63763275
-1085.37010453
89.85418616
-388.07706215
-174.99296232
79.19905916
551.60419304
0.00000000
-931.37241582
3.92946096 -30.75897790 -2.27913634
0.00005140 -0.00019362 0.00000349
0.01591814 -0.03088606 0.00504904
-11.61069967 -1.94012491 -9.20485299
0.00021917 0.00028521 -0.00013816
0.00141925 0.01294505 0.00648325
-37.47496126 2.48669088 0.04170632
0.00006141 -0.00004684 0.00021424
0.01379128 -0.03804909 0.01935814
-11.64790911 -4.07063128 3.83021590
-0.00022595 -0.00011241 0.00005566
-0.03279265 0.02119287 0.01496285
4.38681926 -3.90612730 9.33009756
-0.00030761 -0.00003689 -0.00029892
-0.00293127 -0.01591668 -0.00354333
-31.95628696 -0.62925409 -0.52321045
-0.00039938 0.00058229 0.00036244
-0.02925782 0.01004355 0.02647163
14.69857979 12.60693833 -13.89785127
-0.00050546 -0.00002003 0.00035258
-0.05308533 0.01636053 -0.06519343
-7.69774646 5.99148915 2.52370098
-0.00000854 0.00021760 0.00015376
-0.00641123 0.02664842 0.03665489
7.58118394 12.59527889 -5.73793313
-0.00004230 -0.00013980 -0.00025784
-0.01728557 -0.01054827 -0.01616492
8.87787913 9.85998266 -19.00752798
-0.00008904 0.00004311 0.00012126
-0.01415308 0.00103161 0.02837936
23.36939898 17.32545888 -2.15110532
0.00003580 -0.00004916 -0.00012939
-0.01914439 -0.02800402 -0.00652959
2.26958068 16.89108540 -19.47793728
-0.00012834 -0.00004310 -0.00034419
-0.03432098 0.00723101 -0.02043301
14.00824602 -1.26916657 -5.50346718
-0.00003166 0.00024403 -0.00027730
0.02206746 -0.00276533 -0.02110103
-16.08061871 -1.52436615 3.18457957
-0.00000258 0.00033584 -0.00001096
0.00138805 -0.01566986 0.01083676
-16.84295804 -1.86667163 19.15100688
0.00050914 -0.00025807 -0.00043919
0.01807453 0.00197307 0.00264146
0.39015309 2.03544220 -4.99539908
0.00011016 -0.00018872 0.00017554
-0.02186235 0.00662241 -0.00392603
22.56468883 -7.18010288 -8.90166369
0.00011818 0.00009624 0.00013790
-0.03986009 0.03105561 0.00534032
-0.61325148 -6.41966917 7.24762619
-0.00021911 0.00011607 0.00000282
0.01044756 0.01220927 -0.00999390
-1.79176194 -1.39644336 -19.32846655
0.00006342 0.00007263 -0.00010947
0.02323766 -0.01804346 0.02493888
3.26398343 2.08220061 -9.29893656
-0.00015172 -0.00030840 -0.00011312
-0.01207069 0.00404539 0.00008595
-3.80764297 17.90211559 12.28486203
-0.00008473 -0.00035685 0.00015093
-0.01774846 -0.01029329 -0.03223382
-3.84033337 4.97572753 -11.06960026
-0.00009870 -0.00001274 0.00025539
0.00141935 0.00811841 -0.09224416
-8.02667526 3.04936379 -8.98046867
0.00007543 -0.00036960 0.00007235
0.01463870 0.02064142 -0.02690758
2.18438865 27.39452487 8.55452543
0.00035640 0.00014981 0.00010732
-0.01950215 -0.01225065 0.02841303
9.87465475 -6.18213524 -1.90540383
-0.00026300 -0.00002369 0.00017060
0.00416270 -0.03058253 0.01069916
-8.77090164 0.74548027 5.97477034
0.00001037 0.00004152 0.00018759
0.00810669 -0.02382042 0.00602732
20.36265037 10.76602106 8.89311365
-0.00005111 0.00012697 0.00004237
0.00476239 0.02645653 -0.03099606
-2.41937858 -2.14141517 -27.20953029
0.00062415 -0.00000124 -0.00014873
0.01878293 0.03264229 -0.03477824
-14.31748839 6.12826033 7.62296500
-0.00006183 0.00017307 0.00027613
0.00539458 -0.00631088 0.00675258
-9.65100142 7.26747142 -2.56092933
0.00033927 0.00011821 0.00015579
-0.00875722 -0.00519570 0.00626156
-1.73947643 -15.61633675 23.71482327
0.00001111 0.00037564 -0.00047475
-0.05872159 -0.02216140 0.02212240
-2.63754857 6.31206438 -6.31563770
-0.00002273 -0.00008988 0.00021073
0.00413805 -0.00074725 -0.01350739
-20.07725824 31.05980631 4.35601466
0.00014910 -0.00016598 -0.00037928
-0.04411515 -0.00415874 0.02905977
7.60034548 0.06421470 7.96069416
0.00002338 0.00021506 -0.00036757
-0.01065387 0.01774583 -0.04874592
5.63208670 11.44912699 -13.76222118
0.00006250 0.00035010 0.00022076
-0.00600755 0.00276261 -0.00692117
15.60243054 2.92132564 -1.95320106
-0.00031699 -0.00043392 0.00008733
0.01998011 0.01404691 0.01145826
-4.28948429 13.54283106 -0.98117998
-0.00026693 -0.00021058 0.00022604
0.00687949 -0.00475152 -0.01265507
4.56623928 12.45928421 3.19101943
-0.00000828 -0.00041371 -0.00026213
0.04762581 0.04421230 -0.01455034
24.93760183 -11.70013643 -9.68259478
0.00037917 0.00015670 -0.00041458
-0.01337384 -0.00205690 0.01398394
16.48017988 -3.81750914 -0.45988211
0.00015957 0.00012324 -0.00022743
-0.02175630 0.02724948 -0.00250317
12.96493641 7.94933119 10.00731938
0.00007120 0.00009949 0.00023677
-0.00407282 -0.01593425 0.02331792
1.60714497 -13.93808060 17.66314639
0.00001711 -0.00018225 -0.00000061
-0.00177245 0.02750043 0.00508112
-4.27768620 -0.72105801 -14.36062855
0.00038463 -0.00004749 0.00029223
0.02542724 0.04361378 -0.05452203
15.12595046 -7.86107136 -8.98639680
0.00000032 0.00048838 0.00009941
-0.05866144 -0.04832237 0.00311625
8.59859476 -6.84523679 8.69882564
-0.00032687 -0.00045458 0.00029153
0.00015091 -0.00838606 0.01804891
-21.27846698 2.31592273 22.71028778
0.00017963 -0.00001589 0.00019193
-0.00087667 -0.02006282 -0.01330162
25.75763939 -3.23278961 -7.94203840
-0.00017034 -0.00012745 -0.00021832
-0.00606638 0.01536751 -0.00934560
9.82703236 -14.12247400 -7.90243486
0.00004188 0.00017735 -0.00044070
0.01113336 0.03785629 -0.00438930
-6.54379874 -12.34792903 16.88130509
-0.00038360 -0.00037555 0.00027222
-0.00945437 -0.01508475 -0.02697794
8.17933753 3.42350266 -29.37497148
-0.00020017 -0.00021777 0.00013312
-0.04644432 0.00378932 -0.02628482
10.85386941 15.42989079 15.31522729
0.00003205 -0.00022466 0.00030871
-0.00529481 0.01193979 -0.02966179
28.59232244 6.04803261 -3.18096317
0.00012200 0.00012473 -0.00032504
-0.01615682 0.02098544 0.00379294
5.47928739 -31.18262517 -3.23721575
0.00031896 -0.00012818 0.00015647
-0.01310288 -0.00132743 0.00113871
4.00319219 -31.70158697 -0.67958846
0.00065580 0.00025922 0.00011823
0.00493241 0.01005781 -0.00503994
-11.65509343 -3.67356434 -8.70855760
0.00007874 0.00074934 -0.00010199
0.00068551 -0.01541868 0.01039422
-12.65738360 -1.87986994 -10.65234637
0.00034591 0.00101354 0.00033509
-0.00872326 0.00798046 -0.01832212
-39.01604359 2.07353891 0.90786354
-0.00069187 -0.00038826 0.00022245
-0.00390645 -0.00157363 0.00441493
-37.80917009 3.97716056 -0.87424308
-0.00038668 0.00005754 -0.00017791
-0.00804092 0.03080397 -0.02018233
-10.71973634 -5.56831303 3.65296996
0.00085081 0.00013661 -0.00002964
0.02287214 -0.03497674 -0.00799018
-10.47977060 -2.73085571 3.62892546
-0.00052934 -0.00029962 0.00000253
0.01495006 0.01344887 -0.00275391
5.17381220 -2.57068638 8.40749018
-0.00092125 -0.00067868 0.00017072
0.00421737 0.01685315 -0.00272982
4.80573091 -3.60548481 11.08570586
-0.00002212 -0.00004946 -0.00064161
-0.00786325 0.00353631 0.00771240
-33.36127462 -1.76936315 -0.75463421
0.00000138 0.00018351 0.00016406
-0.00262425 -0.00439932 0.00077033
-32.69624118 0.59341719 0.71200958
0.00039243 -0.00017827 0.00029283
0.01346817 -0.01231007 -0.02251492
14.63532250 12.69558371 -15.89794049
-0.00010278 -0.00038626 -0.00005151
-0.00075489 -0.00005282 0.05317638
16.24169767 11.93395040 -13.47572678
-0.00048804 0.00015956 -0.00023529
0.05473940 -0.01729195 0.01072043
-8.71302236 7.07169945 1.47484748
-0.00055666 0.00070432 0.00039763
-0.00131493 0.00894168 -0.00478722
-7.45985750 4.62848780 1.44174396
0.00019413 -0.00073091 -0.00013480
0.01087411 -0.03752918 -0.03213594
6.14432765 12.30852548 -6.85647134
0.00040295 0.00004620 -0.00005241
0.00326197 0.00255103 0.00617968
8.84609916 13.66358936 -6.76603250
0.00026370 0.00051824 -0.00080887
-0.00417078 -0.00490936 0.01423372
8.47752650 8.87324840 -20.43476546
-0.00013308 0.00009226 0.00035422
0.00243280 -0.00807747 -0.02234577
10.16886176 11.07820144 -19.36389792
-0.00093754 0.00081265 -0.00094887
0.01894363 0.00237145 -0.00892500
23.82165654 15.52104112 -2.62001784
-0.00071995 -0.00010261 0.00026700
-0.00026874 0.03341496 0.00504652
24.97080295 18.19393017 -2.36572375
0.00004633 -0.00021111 0.00042513
-0.00117828 0.00903947 0.00205180
1.36679525 16.71177208 -21.21058297
-0.00028849 -0.00010958 -0.00079399
0.02545060 0.01542539 0.02492043
2.84129791 15.20279753 -19.10562442
0.00108820 -0.00005520 0.00025759
0.01447880 -0.01340779 0.00162435
12.86086261 -0.61452100 -6.78654143
-0.00068164 0.00077358 0.00020662
-0.00602248 -0.01497694 0.01055850
13.35766832 -1.32920977 -3.83378287
0.00049211 0.00022824 -0.00047397
-0.01647875 0.00960793 0.00604373
-17.25200123 -2.93522395 3.11312073
0.00044635 0.00117806 -0.00114227
-0.02427871 0.00576080 -0.00603072
-14.66736429 -2.61293107 3.60614097
-0.00017864 0.00000248 0.00020250
0.01919574 0.00617820 -0.00571508
-16.10714421 -0.37558933 20.01198318
-0.00065698 -0.00064874 0.00052356
-0.01180105 0.00019943 -0.00113798
-15.52090865 -3.09672535 19.40742268
-0.00041500 0.00024433 0.00007963
0.00099468 -0.00347676 0.00249636
-0.90119480 0.68932550 -5.18995852
0.00050810 0.00017394 0.00037474
0.01514179 -0.00953165 0.00443293
-0.79320737 3.44581720 -4.99258710
-0.00016745 0.00031794 -0.00017505
0.00614976 0.00858805 0.00450576
23.30732813 -8.74916047 -9.24701550
0.00075141 -0.00010517 0.00026249
0.02305532 -0.02657735 -0.00502991
23.72329230 -5.79559142 -8.66811536
0.00111148 -0.00011159 -0.00044288
0.01347026 -0.00208029 0.00349181
0.43357464 -5.84824007 5.82359334
-0.00019922 -0.00029003 -0.00053214
-0.00618060 -0.01104870 -0.00220522
0.02989722 -5.25626051 8.50093251
0.00070059 -0.00086932 0.00051922
-0.00103923 -0.00776701 0.01109234
-0.90917790 -2.96659579 -18.78348898
0.00109785 -0.00030801 0.00022632
-0.00783469 0.02091866 -0.00962680
-2.98978363 -1.97422056 -20.53880649
-0.00010750 0.00079298 -0.00039221
-0.01936503 -0.00621159 -0.01370660
2.65258149 2.22301502 -11.05124721
-0.00004592 0.00005387 0.00061418
0.00585988 0.00847402 0.01762052
2.01918626 2.82508924 -8.07423695
0.00040140 0.00018502 0.00059466
0.01268580 -0.01750944 -0.01428668
-2.46490985 16.69254245 12.49092941
-0.00066759 0.00040020 -0.00060032
0.01902509 -0.00649390 0.00681769
-3.49229812 19.29468075 13.34083015
0.00010368 0.00008554 0.00056586
0.00715687 0.01507111 0.02290489
-4.68702408 6.34319695 -12.19518225
-0.00072333 0.00012601 0.00078022
0.01743279 -0.02917713 0.03912453
-3.28444063 3.76587925 -12.50271562
-0.00091110 0.00010522 -0.00048636
-0.01353007 0.02086050 0.04332688
-7.90603049 2.15549401 -7.44666742
-0.00008794 -0.00006181 -0.00008950
0.01091168 -0.00732164 0.01832129
-6.28150152 3.60071672 -9.47367246
0.00105822 -0.00008478 -0.00022273
-0.02851944 -0.01065026 0.01029600
2.34143285 28.29969073 7.03137272
0.00107128 -0.00023060 0.00037340
0.00563102 0.01230059 -0.02796903
0.53448962 27.91774538 9.17235843
0.00013950 0.00078680 0.00053620
0.00865388 -0.00245617 -0.00111482
10.69418412 -7.41380598 -0.70127033
-0.00023707 -0.00061216 -0.00036632
-0.00713702 0.02413842 -0.01337882
8.70905670 -7.30181524 -2.81952858
-0.00021257 0.00026705 -0.00044621
0.00449016 0.00743393 0.00617419
-6.93571095 0.44451617 6.27373530
0.00048305 0.00072409 -0.00002673
-0.01510726 0.00020339 0.00161645
-9.43715944 -0.76138425 6.84244310
-0.00011348 0.00095726 -0.00029818
0.00006794 0.01992310 -0.00473812
21.72649232 10.05444299 9.84149896
-0.00012174 0.00010650 -0.00051066
0.00903462 0.00380400 0.01188261
21.01203764 12.44380482 8.18174811
0.00024475 -0.00016160 -0.00010134
-0.01260096 -0.02425080 0.01928098
-1.62297045 -3.54163759 -26.49398776
-0.00032136 0.00003059 -0.00054471
0.02334246 -0.02715895 0.01979058
-4.11121615 -2.19173337 -26.77437628
0.00004595 -0.00000454 -0.00017078
-0.04485600 -0.00073373 0.01307409
-14.15352342 7.24055329 9.05866995
0.00069228 -0.00023635 0.00050361
0.00318215 -0.00243558 0.00377632
-15.26834665 7.19386986 6.51949517
-0.00078333 -0.00034547 0.00028777
-0.00342866 0.00429255 -0.01064196
-11.17252752 7.10423151 -3.50783961
0.00002184 0.00109601 0.00066386
-0.01857704 -0.00582756 0.00160102
-8.74893424 8.32595758 -3.74389454
0.00001424 -0.00024989 0.00016459
0.01852958 0.00560338 0.00075828
-1.27720349 -17.42618965 23.44252251
-0.00004778 0.00018741 -0.00025341
0.00971721 0.01573167 -0.00354938
-3.60832055 -15.83299432 24.33056278
-0.00073957 -0.00015474 -0.00039445
0.05239401 0.01544262 -0.01961915
-2.59054671 5.88639812 -8.11921121
0.00103955 0.00057911 -0.00044901
0.00048942 0.00024809 0.00879235
-3.90239975 7.63039212 -6.27122940
-0.00127359 -0.00009050 0.00015708
-0.01139161 0.00249506 0.00842368
-21.19976953 30.52467958 2.98450815
-0.00001322 -0.00045476 0.00087089
-0.00555535 -0.01245450 -0.00095519
-21.34608059 31.86011046 5.54516360
0.00039270 -0.00155707 -0.00010818
0.02188491 -0.01506202 -0.01911702
7.06063896 -0.00320724 6.09339356
0.00020142 -0.00034265 -0.00030817
0.00639743 -0.01747467 0.02971796
7.53013344 1.89831264 7.99621901
0.00049457 0.00041832 -0.00034499
0.00105177 0.00353694 0.01842963
6.97009378 12.76963631 -13.99105042
0.00069075 -0.00014409 -0.00088000
-0.01014051 -0.00594447 0.00643056
4.30202715 11.93976552 -14.95583168
0.00113368 -0.00087237 0.00126712
0.01600418 -0.00190260 0.00929707
14.51324556 3.78694767 -3.11452490
0.00003061 -0.00026196 -0.00011828
-0.00503512 0.00310974 0.00094271
15.14169851 1.18718301 -1.89669085
0.00005903 0.00039036 0.00003427
-0.00478737 -0.00679173 -0.00363065
-2.59062818 13.38417981 -0.40159328
-0.00042593 -0.00049024 0.00036362
0.01109516 -0.00156275 -0.00136937
-5.25886395 12.86854992 0.40315537
0.00044141 -0.00010419 0.00062750
-0.01437212 -0.00136217 0.00755006
3.84790636 10.83862610 3.48596712
0.00052883 0.00087964 -0.00005048
-0.01509116 -0.02517758 0.00669871
6.43866824 12.15289470 3.36216561
0.00024806 -0.00055065 -0.00077121
-0.02712907 0.00017353 -0.00420481
25.21491356 -13.01130354 -8.42484527
-0.00040025 0.00085153 0.00070646
0.00101613 0.00457318 -0.00676242
26.28284400 -11.51094887 -10.90730157
-0.00042730 0.00008075 0.00030637
0.01158419 -0.00476263 -0.00928431
14.70489954 -4.07289858 -0.87602565
0.00032406 0.00046950 0.00066828
0.01155607 0.00877712 0.00953184
17.14158963 -5.43202690 -0.80743337
-0.00002592 0.00042802 0.00039768
0.01667251 -0.03213626 -0.00358678
12.23461076 7.94334976 11.79129968
0.00079045 0.00013029 0.00000202
0.00963056 0.00816913 -0.03535351
13.27686118 9.63003064 9.33195539
0.00071854 0.00009476 0.00096226
-0.00423294 0.00721406 0.00843937
-0.15012037 -14.32301524 17.16712853
-0.00064723 0.00008662 0.00014155
0.00736411 -0.00936212 -0.00114606
1.50193290 -12.18038456 18.27138766
-0.00066039 -0.00064613 -0.00020002
0.00731611 -0.01793942 -0.00539616
-3.86436342 -2.27760586 -13.62891927
0.00036129 -0.00006447 -0.00019586
0.00416336 -0.03202823 0.01888034
-3.18594359 -0.59813576 -15.95964989
-0.00057441 -0.00072478 0.00044057
-0.02218481 -0.00896296 0.03132037
13.99273252 -8.18253272 -10.45378231
0.00048463 -0.00008220 0.00077491
0.03180949 0.00787797 0.00497663
16.25837185 -6.51838496 -9.28035187
0.00074358 0.00004729 -0.00060784
0.02074155 0.03510474 -0.01486323
7.24444835 -5.69724826 9.13553020
-0.00063067 0.00042242 -0.00058553
-0.01805982 -0.00227651 0.00690957
9.27511561 -5.92450216 7.34800650
-0.00001925 -0.00086767 0.00037234
0.02364578 0.01050274 -0.02920452
-21.39556863 1.90856964 20.89739789
-0.00098904 -0.00023064 -0.00060319
0.00382153 0.01302933 0.00269023
-21.82736648 0.68132983 23.39832682
-0.00034558 0.00085410 0.00099861
-0.00172104 0.00983407 0.00852104
26.57728471 -3.01700201 -6.33066955
0.00045912 -0.00016105 -0.00054000
0.00061007 0.00504415 0.00604910
25.12017787 -1.51397487 -8.34194915
-0.00004229 0.00012219 -0.00055029
0.00866954 -0.01113011 0.00431144
9.13999597 -15.75581463 -7.64839525
0.00042011 -0.00051273 -0.00009609
-0.00754527 -0.02032610 0.00483610
8.82260150 -12.81205835 -7.06113908
0.00057045 0.00024900 0.00041781
0.00609604 -0.01099926 -0.00181150
-5.81222892 -11.15645936 17.96185119
-0.00056028 -0.00004525 0.00009987
0.01721866 0.02518905 0.02531450
-7.35717066 -11.33526519 15.59801398
-0.00000372 0.00001727 -0.00009136
0.00408871 0.00283886 -0.00527488
8.63960700 1.70787749 -29.41068388
-0.00115503 -0.00045784 0.00018410
0.02356334 -0.02765279 0.00381478
6.60091414 3.20374019 -30.44700408
-0.00087664 0.00013605 0.00070644
0.01502664 0.01150027 0.01744726
12.47594253 15.20759645 14.42124505
-0.00032984 0.00098810 0.00001018
0.01346626 -0.00123122 0.01145324
11.06494175 15.90960705 17.04333603
-0.00044459 -0.00056540 -0.00075462
0.01151069 0.00565373 0.01456707
29.39683796 4.89378863 -4.35785441
0.00059286 -0.00046455 0.00014904
-0.01133030 -0.00028318 -0.00852733
26.84562344 6.51187174 -3.72408750
-0.00001585 -0.00008324 -0.00026014
0.02062079 -0.00839987 0.00182586
-9.94838979 4.86426590 6.81403522
0.00003028 -0.00007965 -0.00023844
-0.00230125 0.00613178 -0.00087916
-8.69255050 13.28537233 2.59522262
-0.00005659 0.00007055 0.00000622
-0.00290616 -0.00152978 -0.00081479
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09646662
0.27594921
367.68848441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.4320463971 (a.u.)
total exchange computation time: 2.7371699810 s
-154.3127314911
-931.37132650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.778 s
total exchange = -52.4312469549 (a.u.)
total exchange computation time: 2.7367699146 s
-154.3202637361
Anderson extrapolation: theta=1.3424917592 (1.3424917592)
-931.37155688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.777 s
total exchange = -52.4300578902 (a.u.)
total exchange computation time: 2.7387530804 s
-154.3311363596
Anderson extrapolation: theta=0.0505868174 (0.0505868174)
-931.37169502
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.783 s
total exchange = -52.4299079383 (a.u.)
total exchange computation time: 2.7370460033 s
-154.3323144899
Anderson extrapolation: theta=1.8976238195 (1.8976238195)
-931.37170018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.778 s
total exchange = -52.4295982606 (a.u.)
total exchange computation time: 2.7398939133 s
-154.3346597270
Anderson extrapolation: theta=0.2193199081 (0.2193199081)
-931.37170531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.782 s
total exchange = -52.4295242324 (a.u.)
total exchange computation time: 2.7359380722 s
-154.3351444780
Anderson extrapolation: theta=1.9169264333 (1.9169264333)
-931.37170628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.777 s
total exchange = -52.4294059017 (a.u.)
total exchange computation time: 2.7370510101 s
-154.3358325513
Anderson extrapolation: theta=0.2871736956 (0.2871736956)
-931.37170753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.4293962961 (a.u.)
total exchange computation time: 2.7369241714 s
-154.3357971059
Anderson extrapolation: theta=1.3208697800 (1.3208697800)
-931.37170787
-71.849555 23.357660 142.134778
559.042269 1031.488453 -412.596214
487.192715 1054.846113 -270.461436
1192.982167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.775 s
total exchange = -52.4294024699 (a.u.)
total exchange computation time: 2.7369079590 s
679.72352573
-1085.55155108
89.84690141
-387.95377895
-175.00740284
79.29918134
551.60419304
0.00000000
-931.37170819
3.93029343 -30.76200141 -2.27906456
0.00005982 -0.00020940 0.00000587
0.01681394 -0.03045211 0.00422127
-11.60740665 -1.93579675 -9.20690043
0.00022046 0.00029260 -0.00013427
0.00361047 0.01578305 0.00865510
-37.47398699 2.48584155 0.04499464
0.00006705 -0.00006583 0.00022434
0.00815701 -0.03582159 0.01992140
-11.65142485 -4.07223567 3.83110846
-0.00024252 -0.00010294 0.00006328
-0.03165102 0.01563224 0.01468932
4.38219377 -3.90674207 9.32560013
-0.00030997 -0.00004656 -0.00030010
-0.00622124 -0.02166198 -0.00104388
-31.96239055 -0.62048095 -0.51767168
-0.00041365 0.00058644 0.00037503
-0.02622811 0.00608084 0.02246526
14.69079319 12.60670101 -13.89281412
-0.00053269 -0.00001165 0.00031870
-0.05282093 0.01620812 -0.06653142
-7.69789923 5.99485600 2.52614880
-0.00001188 0.00022989 0.00017076
-0.00660293 0.02114385 0.02945818
7.58048270 12.59314122 -5.74186301
-0.00004986 -0.00014453 -0.00026608
-0.01208351 -0.00784881 -0.01589616
8.87648893 9.86063334 -19.00559964
-0.00009586 0.00004413 0.00013595
-0.01238269 0.00292556 0.02874443
23.36986211 17.32461353 -2.15307131
0.00002558 -0.00006334 -0.00013248
-0.02059963 -0.02713755 -0.00549688
2.26752318 16.89046686 -19.48317897
-0.00014575 -0.00004021 -0.00035467
-0.03337383 0.00399446 -0.02033079
14.00785625 -1.26551682 -5.50770808
-0.00002046 0.00024281 -0.00028907
0.02148796 -0.00195444 -0.02466289
-16.08065207 -1.51938895 3.18445698
-0.00000061 0.00032879 -0.00000532
0.00626967 -0.01176928 0.01107365
-16.83525123 -1.87053508 19.14442920
0.00051680 -0.00025620 -0.00043823
0.01170299 0.00530992 0.00107840
0.39172112 2.03263698 -4.99278116
0.00009894 -0.00018381 0.00017367
-0.02175398 0.01247999 -0.00333212
22.56630784 -7.17853942 -8.89957457
0.00009897 0.00011168 0.00014047
-0.03483905 0.02896771 0.00466705
-0.61649780 -6.41788105 7.24763000
-0.00021352 0.00012238 -0.00000256
0.01128432 0.01234989 -0.01095792
-1.79072104 -1.39542347 -19.33001241
0.00007585 0.00006252 -0.00009632
0.02509504 -0.02129406 0.02620282
3.26166110 2.07759024 -9.30063301
-0.00015764 -0.00030626 -0.00011151
-0.01094758 0.00425279 0.00615473
-3.80898239 17.89672309 12.28700158
-0.00009500 -0.00035959 0.00013506
-0.02220266 -0.00034698 -0.02947876
-3.84180845 4.97556781 -11.06612528
-0.00009808 -0.00000866 0.00020790
0.00099608 0.00773216 -0.09240754
-8.02548739 3.04389943 -8.97948716
0.00008418 -0.00035826 0.00005759
0.01937952 0.02347033 -0.03050026
2.18965946 27.39672480 8.55624479
0.00034553 0.00014338 0.00012292
-0.02277399 -0.01278183 0.03224725
9.87072583 -6.18260849 -1.90280356
-0.00026094 -0.00003953 0.00017598
0.00384566 -0.03103303 0.01023854
-8.77071484 0.74601123 5.97760738
0.00001561 0.00003080 0.00018987
0.01226192 -0.01788427 0.00284938
20.36190210 10.76802765 8.89362966
-0.00004914 0.00014062 0.00002623
0.00289116 0.02663509 -0.03175626
-2.40994396 -2.14130786 -27.21189538
0.00063149 0.00001646 -0.00016663
0.00979172 0.03618617 -0.03483246
-14.31839500 6.13083203 7.62713298
-0.00005904 0.00016972 0.00027943
0.00545185 -0.00670543 0.00609286
-9.64594613 7.26922452 -2.55856834
0.00033445 0.00011515 0.00015947
-0.00998844 -0.00670345 0.00804285
-1.73953624 -15.61078764 23.70778732
-0.00001976 0.00036389 -0.00046317
-0.06132371 -0.02352186 0.02290686
-2.63787358 6.31071333 -6.31252889
-0.00002163 -0.00008930 0.00020305
0.00015681 0.00301052 -0.01635878
-20.07519192 31.05730051 4.35043759
0.00012754 -0.00016828 -0.00036377
-0.03970926 -0.00478961 0.03124231
7.60065511 0.06750902 7.95499259
0.00001802 0.00022439 -0.00039232
-0.01018541 0.01854042 -0.04749164
5.63300097 11.45438912 -13.75893651
0.00006201 0.00035077 0.00021911
0.00412164 -0.00014095 0.00051210
15.59775272 2.91487097 -1.95184695
-0.00030621 -0.00042474 0.00009315
0.02194586 0.02167709 0.01117731
-4.29346172 13.53965398 -0.97783821
-0.00026338 -0.00021300 0.00021958
0.00693540 -0.00464766 -0.01245911
4.56629881 12.45324912 3.18703137
0.00001753 -0.00038860 -0.00027011
0.05274746 0.05342227 -0.01646570
24.94323779 -11.69779390 -9.68875950
0.00037054 0.00015536 -0.00040581
-0.02019100 -0.00314031 0.02011124
16.48248954 -3.81555540 -0.46330328
0.00014887 0.00013824 -0.00022838
-0.01984385 0.03106258 -0.00118244
12.96598873 7.95076203 10.01096085
0.00006941 0.00009110 0.00024821
-0.00290754 -0.01668647 0.02119093
1.60739471 -13.94070828 17.66315684
0.00001525 -0.00016899 0.00000142
-0.00543981 0.02405977 0.00282933
-4.27181862 -0.72160212 -14.35645539
0.00039710 -0.00002507 0.00026486
0.02304935 0.04355618 -0.05190926
15.12572902 -7.85393211 -8.98489362
-0.00002867 0.00046431 0.00010193
-0.05409257 -0.04526834 0.00666874
8.59369223 -6.85208790 8.70326817
-0.00032766 -0.00045816 0.00030113
-0.00320813 -0.00551832 0.01928454
-21.27577594 2.31560696 22.71311542
0.00017918 -0.00002581 0.00018355
-0.00085962 -0.01849675 -0.01928063
25.75506085 -3.23464215 -7.94534927
-0.00017345 -0.00011924 -0.00022325
-0.00602070 0.01656534 -0.00983582
9.82770357 -14.11966769 -7.90906223
0.00004709 0.00019578 -0.00044274
0.00911051 0.03380475 -0.00355485
-6.54958922 -12.35362041 16.88528432
-0.00038847 -0.00038262 0.00025801
-0.00946802 -0.01242579 -0.02827124
8.17615590 3.42025080 -29.37307607
-0.00022416 -0.00021591 0.00011958
-0.04687427 0.00343091 -0.02638128
10.85432979 15.42656690 15.31974348
0.00002864 -0.00021905 0.00029138
-0.00796812 0.00989203 -0.03772494
28.59409010 6.04998453 -3.18582418
0.00011396 0.00013518 -0.00032324
-0.01511168 0.01963067 0.00321192
5.48367022 -31.18458854 -3.23483386
0.00026396 -0.00013317 0.00016112
-0.01382005 -0.00111358 0.00113991
4.01318033 -31.69739049 -0.67796943
0.00067502 0.00029920 0.00009923
0.00447545 0.00951559 -0.00426128
-11.65389134 -3.66279665 -8.70976898
0.00008084 0.00068070 -0.00005880
0.00034427 -0.01818544 0.01074775
-12.65246225 -1.86442228 -10.64788150
0.00030615 0.00104583 0.00025468
-0.01074019 0.00782529 -0.02103931
-39.02654139 2.06766681 0.91133563
-0.00069810 -0.00039165 0.00023491
0.00085804 -0.00008746 0.00168292
-37.81521674 3.97896753 -0.87753015
-0.00041814 0.00017677 -0.00025634
-0.00735611 0.02756186 -0.01820896
-10.70627333 -5.56733570 3.65228056
0.00093922 -0.00000021 -0.00006129
0.02040712 -0.03199864 -0.00750191
-10.48725255 -2.73493794 3.62887899
-0.00046561 -0.00023957 -0.00000916
0.01624469 0.01594861 -0.00296599
5.16012272 -2.58035016 8.40996733
-0.00089740 -0.00059786 0.00015019
0.00745823 0.02271166 -0.00731802
4.80515823 -3.60611827 11.07631798
-0.00005382 -0.00003492 -0.00060611
-0.00765677 0.00357897 0.00966933
-33.36133438 -1.76674525 -0.75214978
-0.00000976 0.00016619 0.00016764
-0.00282792 -0.00408288 0.00098397
-32.68994199 0.59036589 0.71571210
0.00044213 -0.00022147 0.00020813
0.01085948 -0.00883766 -0.01894804
14.63375768 12.68978815 -15.89708360
-0.00010749 -0.00038572 0.00016729
-0.00154949 0.00031749 0.05392816
16.23605452 11.93581385 -13.47892756
-0.00026289 0.00008862 -0.00019051
0.05546951 -0.01742924 0.01119742
-8.72141260 7.08253831 1.48066519
-0.00055721 0.00073452 0.00038121
0.00104818 0.00583770 -0.00324707
-7.45661237 4.61637410 1.43873716
0.00023439 -0.00086689 -0.00025487
0.00883547 -0.02903125 -0.02663540
6.15047190 12.30929661 -6.85706810
0.00040993 0.00005507 -0.00003147
0.00015374 0.00178995 0.00407116
8.84992679 13.67121251 -6.77772936
0.00024298 0.00049417 -0.00074647
-0.00597018 -0.00687334 0.01631024
8.47560482 8.87438476 -20.43013694
-0.00012465 0.00005702 0.00026069
0.00169702 -0.00917394 -0.02343754
10.15537923 11.09046379 -19.37840441
-0.00086175 0.00082070 -0.00098396
0.01815230 0.00157280 -0.00825250
23.81084904 15.52052596 -2.61585813
-0.00071921 0.00003195 0.00028623
0.00063301 0.03245256 0.00436361
24.97146179 18.19104050 -2.35928396
0.00004325 -0.00017432 0.00043247
-0.00032770 0.00896820 0.00154264
1.36324780 16.71060099 -21.22172917
-0.00018281 -0.00004762 -0.00068904
0.02628022 0.01490790 0.02645491
2.85806453 15.20155863 -19.10171079
0.00114344 -0.00010260 0.00026108
0.01256245 -0.00979189 0.00008521
12.85045342 -0.60337623 -6.78311852
-0.00070342 0.00071099 0.00025161
-0.00463625 -0.01566130 0.01146076
13.36454506 -1.32549169 -3.84070716
0.00042304 0.00026692 -0.00044317
-0.01733383 0.00932562 0.00903199
-17.24604995 -2.91737656 3.09580184
0.00033859 0.00119185 -0.00116721
-0.02847265 0.00099146 -0.00617828
-14.66945563 -2.61270462 3.60900337
-0.00010157 0.00002872 0.00017890
0.01853091 0.00667053 -0.00583754
-16.11736061 -0.38531432 20.01980176
-0.00070295 -0.00064452 0.00052015
-0.01070143 0.00186817 -0.00053536
-15.52710322 -3.09316693 19.40869358
-0.00039998 0.00022003 0.00009182
0.00636095 -0.00841755 0.00347277
-0.89310928 0.69164255 -5.18420151
0.00056510 0.00013009 0.00039171
0.01276053 -0.01193555 0.00387279
-0.79553067 3.45084950 -4.99507472
-0.00013753 0.00034664 -0.00015673
0.00849558 0.00546111 0.00445919
23.31930575 -8.75155244 -9.24323224
0.00084074 -0.00020647 0.00024338
0.02067076 -0.02301155 -0.00432653
23.74037723 -5.79732907 -8.67465157
0.00116091 -0.00012366 -0.00042887
0.01072862 -0.00382830 0.00336766
0.43039696 -5.85292915 5.81554370
-0.00022640 -0.00033529 -0.00053716
-0.00712665 -0.01110377 -0.00025198
0.04037420 -5.26953829 8.50906076
0.00069664 -0.00090126 0.00056240
-0.00089286 -0.00786891 0.01004463
-0.89295022 -2.97057492 -18.78038919
0.00105929 -0.00021472 0.00018220
-0.01104275 0.02474662 -0.01197011
-2.99198960 -1.96251616 -20.54510972
-0.00018378 0.00076626 -0.00044602
-0.01797471 -0.00686783 -0.01263065
2.65207224 2.22408271 -11.04149450
-0.00002546 0.00008944 0.00067649
0.00415534 0.00894050 0.01287695
2.02559597 2.82732806 -8.06575490
0.00045433 0.00011193 0.00053381
0.01322455 -0.01827196 -0.01549905
-2.47434070 16.69834647 12.48213351
-0.00057808 0.00036390 -0.00057062
0.02479246 -0.01127328 0.00772276
-3.49052355 19.29642569 13.35001985
0.00013086 0.00013692 0.00065196
0.00614703 0.01008067 0.01924632
-4.69733991 6.34419296 -12.18228012
-0.00065196 0.00000730 0.00093927
0.01750644 -0.02892829 0.03873580
-3.29852167 3.76809683 -12.50868336
-0.00096546 0.00019079 -0.00030809
-0.01308005 0.02102705 0.04393729
-7.90701516 2.15434245 -7.44744843
-0.00004262 -0.00009400 -0.00001062
0.01127023 -0.00843283 0.02028969
-6.26650218 3.59911862 -9.47669795
0.00093139 -0.00013158 -0.00017749
-0.03356409 -0.01225476 0.01185110
2.35767458 28.29660866 7.03611666
0.00109383 -0.00017757 0.00025512
0.00540842 0.01365800 -0.02992805
0.53684737 27.92947216 9.18036729
0.00018175 0.00077495 0.00052786
0.01202599 -0.00334485 -0.00297071
10.69040944 -7.42224868 -0.70717514
-0.00026631 -0.00051306 -0.00042072
-0.00717948 0.02436843 -0.01324915
8.70600581 -7.29758173 -2.82603257
-0.00019372 0.00029792 -0.00042024
0.00473727 0.00768034 0.00654038
-6.92892816 0.45538382 6.27338382
0.00041629 0.00072381 -0.00001998
-0.01757069 -0.00034046 0.00169210
-9.43885961 -0.74641487 6.83782522
-0.00011660 0.00102738 -0.00031110
-0.00159236 0.01440229 -0.00158821
21.72494302 10.05615701 9.83420323
-0.00008127 0.00011969 -0.00045934
0.01077901 0.00265469 0.01323797
21.01532272 12.44063765 8.18081891
0.00019318 -0.00025883 -0.00002358
-0.01263959 -0.02334405 0.01878046
-1.62707562 -3.54201095 -26.50155195
-0.00022116 -0.00008882 -0.00046014
0.02570643 -0.03129266 0.02160815
-4.11190147 -2.19182390 -26.77653737
-0.00012458 -0.00000662 -0.00012097
-0.03861718 -0.00028601 0.01130720
-14.14304175 7.23693346 9.06633978
0.00070434 -0.00024532 0.00051771
0.00272039 -0.00195868 0.00312688
-15.28020171 7.18881933 6.52348568
-0.00079614 -0.00032814 0.00024711
-0.00284016 0.00419288 -0.00926132
-11.17276925 7.12049315 -3.49783270
-0.00005542 0.00107172 0.00067035
-0.01923751 -0.00606689 0.00157636
-8.74815277 8.32238098 -3.74140240
0.00009302 -0.00022395 0.00016449
0.02003205 0.00709508 -0.00080993
-1.27762243 -17.42289639 23.43861266
-0.00000791 0.00025299 -0.00026776
0.00980191 0.01637040 -0.00347850
-3.61780865 -15.83484217 24.32404480
-0.00052047 -0.00009031 -0.00047605
0.05485867 0.01609491 -0.02032202
-2.57493852 5.89509236 -8.12567690
0.00104050 0.00058178 -0.00040623
-0.00002045 0.00106141 0.01214958
-3.92185273 7.62911101 -6.26861514
-0.00131111 -0.00008951 0.00019087
-0.00697261 -0.00200722 0.00812140
-21.20013800 30.51747659 2.99754226
-0.00004065 -0.00050855 0.00085799
-0.00787539 -0.01387867 -0.00536018
-21.33951945 31.83629283 5.54295506
0.00047831 -0.00161416 -0.00018149
0.02002198 -0.01288493 -0.01676868
7.06385626 -0.00888241 6.08968172
0.00022679 -0.00041228 -0.00018722
0.00602047 -0.01661152 0.02948388
7.53758427 1.90469588 7.99160892
0.00049852 0.00042947 -0.00027095
0.00087892 0.00192138 0.01781374
6.98014423 12.76729287 -14.00405342
0.00064710 -0.00016966 -0.00085215
-0.01122361 -0.00657320 0.00720538
4.31952276 11.92662170 -14.93653994
0.00117956 -0.00087329 0.00128805
0.00645529 0.00144885 0.00094616
14.51355036 3.78311364 -3.11627024
0.00001023 -0.00024953 -0.00011404
-0.00493802 0.00297465 0.00113311
15.14243724 1.19283032 -1.89628798
0.00003530 0.00034755 0.00001984
-0.00682679 -0.01416511 -0.00343775
-2.59667708 13.37677831 -0.39618098
-0.00037852 -0.00049629 0.00035728
0.01211198 -0.00139971 -0.00173122
-5.25268325 12.86694536 0.41279921
0.00038063 -0.00011007 0.00065858
-0.01537753 -0.00151957 0.00766320
3.85537629 10.85104913 3.48541524
0.00045870 0.00075867 -0.00002003
-0.01923756 -0.03403512 0.00820304
6.44155789 12.14464022 3.35046863
0.00013560 -0.00054959 -0.00078780
-0.02792177 0.00034435 -0.00391876
25.20894095 -12.99839041 -8.41445555
-0.00039513 0.00087146 0.00067665
0.00148969 0.00518064 -0.00783272
26.27678943 -11.50988355 -10.90299056
-0.00036732 0.00006181 0.00025918
0.01777852 -0.00450802 -0.01381314
14.71011458 -4.06558711 -0.86570930
0.00036512 0.00050410 0.00070546
0.00853983 0.00815725 0.00866712
17.14171166 -5.42659139 -0.80157807
0.00004421 0.00029046 0.00038176
0.01765622 -0.03519687 -0.00420811
12.24676260 7.94555451 11.79024657
0.00082716 0.00016293 -0.00013691
0.00834091 0.00780633 -0.03264898
13.28750959 9.63167317 9.34664787
0.00070145 0.00012599 0.00099492
-0.00413584 0.00806899 0.00755009
-0.15960322 -14.32200281 17.16921673
-0.00061109 0.00004798 0.00013795
0.01032612 -0.00955109 -0.00062042
1.49225119 -12.19062628 18.26822206
-0.00062911 -0.00071213 -0.00021897
0.00799826 -0.01436684 -0.00388147
-3.85881648 -2.27955438 -13.63127862
0.00037798 -0.00019707 -0.00011735
0.00400761 -0.03287863 0.01955239
-3.19523962 -0.60928210 -15.95208157
-0.00065982 -0.00075935 0.00056170
-0.01962021 -0.00795883 0.02797425
14.00097673 -8.18352436 -10.44200620
0.00060842 -0.00005156 0.00078754
0.02878526 0.00712033 0.00120593
16.27016107 -6.51659984 -9.28992491
0.00082440 0.00018591 -0.00066743
0.01882162 0.03274979 -0.01430699
7.23443484 -5.69098168 9.12695905
-0.00069857 0.00040709 -0.00055896
-0.01517392 -0.00522921 0.00609435
9.27555145 -5.93719535 7.35269675
0.00007889 -0.00082432 0.00025183
0.02439218 0.01071449 -0.02978951
-21.41028720 1.90550928 20.88843255
-0.00097223 -0.00017610 -0.00058038
0.00441050 0.01367063 0.00847387
-21.83260295 0.69444263 23.41356712
-0.00035369 0.00088969 0.00103361
-0.00224979 0.00758970 0.00861042
26.58419017 -3.01926325 -6.33858425
0.00046100 -0.00014021 -0.00051556
0.00031180 0.00516014 0.00591834
25.11980919 -1.51248308 -8.35007146
-0.00000592 0.00007420 -0.00053145
0.00913300 -0.01236162 0.00491115
9.14606636 -15.76412842 -7.64968845
0.00039284 -0.00058606 -0.00007722
-0.00580142 -0.01557250 0.00440043
8.83134501 -12.80866040 -7.05492745
0.00059541 0.00020237 0.00040958
0.00612250 -0.01182672 -0.00221915
-5.82010542 -11.15636628 17.96412492
-0.00049053 0.00005569 0.00020243
0.01692105 0.02422353 0.02488866
-7.35710120 -11.33491911 15.59648196
0.00001454 0.00002579 -0.00011011
0.00485245 0.00133064 -0.00390424
8.62300354 1.70016255 -29.40780554
-0.00105901 -0.00057005 0.00019973
0.02343904 -0.02727808 0.00383590
6.58822505 3.20613341 -30.43587288
-0.00081358 0.00018324 0.00077761
0.01584162 0.01159523 0.01739159
12.47140753 15.22238021 14.42174867
-0.00027153 0.00098219 0.00005511
0.01507765 -0.00166015 0.01054432
11.05862566 15.90129928 17.03246313
-0.00039506 -0.00053705 -0.00067712
0.01273566 0.00822443 0.02336744
29.40538367 4.88681165 -4.35588004
0.00054412 -0.00046290 0.00011628
-0.01252939 0.00109095 -0.00751364
26.84601758 6.51036574 -3.72793368
0.00006878 -0.00011783 -0.00025306
0.02080793 -0.00853026 0.00164262
-9.94794183 4.86308768 6.81045633
0.00002943 -0.00007741 -0.00023874
-0.00240329 0.00637121 -0.00079637
-8.69340442 13.28642786 2.59531454
-0.00005727 0.00007019 0.00000605
-0.00298271 -0.00149541 -0.00069313
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09647187
0.27523631
366.73858934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.873 s
total exchange = -52.4363087633 (a.u.)
total exchange computation time: 2.7381558418 s
-154.3314704197
-931.37180331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.873 s
total exchange = -52.4354381603 (a.u.)
total exchange computation time: 2.7361719608 s
-154.3396089074
Anderson extrapolation: theta=1.3448905245 (1.3448905245)
-931.37203565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.4341515190 (a.u.)
total exchange computation time: 2.7388260365 s
-154.3513317595
Anderson extrapolation: theta=0.0505714780 (0.0505714780)
-931.37217506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.4339971938 (a.u.)
total exchange computation time: 2.7377490997 s
-154.3525648423
Anderson extrapolation: theta=1.8731411637 (1.8731411637)
-931.37218012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.871 s
total exchange = -52.4336834168 (a.u.)
total exchange computation time: 2.7381689548 s
-154.3549919918
Anderson extrapolation: theta=0.2117024611 (0.2117024611)
-931.37218493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.866 s
total exchange = -52.4336106789 (a.u.)
total exchange computation time: 2.7351348400 s
-154.3554863009
Anderson extrapolation: theta=1.8945246119 (1.8945246119)
-931.37218578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.869 s
total exchange = -52.4334950981 (a.u.)
total exchange computation time: 2.7375490665 s
-154.3561954351
Anderson extrapolation: theta=0.2808508867 (0.2808508867)
-931.37218685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.869 s
total exchange = -52.4334855821 (a.u.)
total exchange computation time: 2.7360680103 s
-154.3561742982
Anderson extrapolation: theta=1.3221752800 (1.3221752800)
-931.37218716
-71.831824 23.388992 142.095625
559.058599 1031.496308 -412.565177
487.226774 1054.885300 -270.469553
1193.032567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.870 s
total exchange = -52.4334906777 (a.u.)
total exchange computation time: 2.7370879650 s
679.78948375
-1085.68898429
89.84023244
-387.86076610
-175.01866256
79.37497426
551.60419304
0.00000000
-931.37218744
3.93125561 -30.76525985 -2.27896021
0.00006863 -0.00022490 0.00000781
0.01742085 -0.02981860 0.00333357
-11.60408578 -1.93134683 -9.20888110
0.00022276 0.00030131 -0.00012939
0.00531424 0.01808478 0.01033041
-37.47294979 2.48471588 0.04843665
0.00006979 -0.00008342 0.00023453
0.00250375 -0.03258255 0.01968017
-11.65518476 -4.07371946 3.83211434
-0.00025817 -0.00009646 0.00007071
-0.02921724 0.00958117 0.01420236
4.37752029 -3.90752396 9.32109466
-0.00031393 -0.00005907 -0.00030000
-0.00920660 -0.02700766 0.00141876
-31.96869648 -0.61166089 -0.51195959
-0.00042631 0.00058837 0.00038538
-0.02299460 0.00143309 0.01776913
14.68259909 12.60658874 -13.88829024
-0.00055911 -0.00000366 0.00028455
-0.04990802 0.01488111 -0.06627595
-7.69810293 5.99838595 2.52882389
-0.00001530 0.00023916 0.00018393
-0.00669499 0.01490698 0.02174220
7.57968824 12.59094300 -5.74591552
-0.00005476 -0.00014792 -0.00027408
-0.00697037 -0.00532212 -0.01520186
8.87500321 9.86130659 -19.00344954
-0.00010173 0.00004610 0.00015058
-0.01041019 0.00472391 0.02815303
23.37016633 17.32355881 -2.15507971
0.00001464 -0.00007686 -0.00013503
-0.02195016 -0.02546376 -0.00442432
2.26520821 16.88987914 -19.48857750
-0.00016254 -0.00003905 -0.00036493
-0.03192289 0.00051222 -0.01956207
14.00763226 -1.26188214 -5.51213926
-0.00000959 0.00024200 -0.00030246
0.02078948 -0.00122134 -0.02742053
-16.08063707 -1.51450254 3.18441982
0.00000384 0.00032366 0.00000047
0.01104637 -0.00817972 0.01145783
-16.82745414 -1.87435757 19.13785984
0.00052119 -0.00025262 -0.00043812
0.00539928 0.00861348 -0.00063427
0.39312133 2.02992805 -4.99018895
0.00008787 -0.00017590 0.00017211
-0.02130953 0.01827321 -0.00271925
22.56765807 -7.17675249 -8.89744945
0.00008251 0.00012582 0.00014265
-0.02920278 0.02600732 0.00377646
-0.61965707 -6.41599764 7.24754928
-0.00020753 0.00012877 -0.00000837
0.01200743 0.01246345 -0.01161046
-1.78948653 -1.39456786 -19.33135611
0.00008896 0.00005087 -0.00008276
0.02591258 -0.02399225 0.02652363
3.25925432 2.07301269 -9.30228199
-0.00016284 -0.00030410 -0.00010676
-0.00928138 0.00416530 0.01234656
-3.81049310 17.89132791 12.28891371
-0.00010744 -0.00035722 0.00012071
-0.02617171 0.00955419 -0.02629758
-3.84327584 4.97546773 -11.06336319
-0.00009764 -0.00000480 0.00016067
0.00073465 0.00726996 -0.09125821
-8.02415001 3.03861614 -8.97874094
0.00009511 -0.00034568 0.00004128
0.02314871 0.02544682 -0.03291331
2.19475457 27.39882612 8.55821292
0.00033315 0.00013682 0.00014014
-0.02537571 -0.01271785 0.03471582
9.86682659 -6.18332115 -1.90012431
-0.00025907 -0.00005545 0.00018106
0.00342648 -0.03086041 0.00950312
-8.77043344 0.74640421 5.98046640
0.00002295 0.00002329 0.00019042
0.01629307 -0.01132337 -0.00071787
20.36117613 10.77023972 8.89390068
-0.00004809 0.00015416 0.00000985
0.00120836 0.02601044 -0.03194633
-2.40043379 -2.14092139 -27.21452918
0.00063412 0.00003560 -0.00018430
0.00043439 0.03825034 -0.03389475
-14.31925954 6.13335199 7.63134797
-0.00005627 0.00016623 0.00028235
0.00530484 -0.00686649 0.00525907
-9.64096790 7.27092591 -2.55614531
0.00032892 0.00011135 0.00016394
-0.01150746 -0.00805497 0.00934719
-1.74006915 -15.60542000 23.70092809
-0.00005169 0.00035156 -0.00045127
-0.06284388 -0.02442877 0.02337284
-2.63819737 6.30938550 -6.30954630
-0.00002254 -0.00008680 0.00019399
-0.00370297 0.00667885 -0.01886228
-20.07343195 31.05475777 4.34510155
0.00010837 -0.00017100 -0.00034736
-0.03483077 -0.00575375 0.03258607
7.60088616 0.07094638 7.94892465
0.00001296 0.00023413 -0.00041625
-0.00951955 0.01932688 -0.04555776
5.63394704 11.45965017 -13.75564789
0.00006696 0.00034985 0.00022154
0.01510468 -0.00346013 0.00893049
15.59324421 2.90858353 -1.95040660
-0.00029447 -0.00041169 0.00009881
0.02372049 0.02904567 0.01082495
-4.29738564 13.53644104 -0.97459256
-0.00025979 -0.00021542 0.00021333
0.00703380 -0.00474876 -0.01183759
4.56676526 12.44762615 3.18291627
0.00004569 -0.00035897 -0.00027905
0.05675538 0.06178923 -0.01833231
24.94871797 -11.69547559 -9.69476906
0.00035846 0.00015351 -0.00039399
-0.02675929 -0.00404676 0.02585681
16.48464610 -3.81336202 -0.46673357
0.00013943 0.00015486 -0.00022872
-0.01688175 0.03359104 -0.00012114
12.96701863 7.95206415 10.01476580
0.00006829 0.00008240 0.00025835
-0.00142966 -0.01712898 0.01821662
1.60760249 -13.94315035 17.66318911
0.00001160 -0.00015763 0.00000228
-0.00874140 0.02011032 0.00048000
-4.26577321 -0.72181020 -14.35268269
0.00040831 -0.00000309 0.00023924
0.02053112 0.04191843 -0.04770784
15.12509027 -7.84714210 -8.98333900
-0.00005492 0.00044216 0.00010633
-0.04798424 -0.04085379 0.01045766
8.58876496 -6.85898159 8.70785947
-0.00033004 -0.00046006 0.00031107
-0.00604076 -0.00186051 0.01937199
-21.27309152 2.31514849 22.71579431
0.00017875 -0.00003486 0.00017223
-0.00082899 -0.01671846 -0.02472835
25.75243586 -3.23636689 -7.94873603
-0.00017646 -0.00011050 -0.00022835
-0.00569493 0.01742598 -0.00997384
9.82844506 -14.11660058 -7.91571703
0.00005126 0.00021194 -0.00044437
0.00710612 0.02902992 -0.00280408
-6.55545274 -12.35940766 16.88904545
-0.00039315 -0.00038808 0.00024340
-0.00875977 -0.00878213 -0.02855462
8.17261265 3.41702540 -29.37138418
-0.00024818 -0.00021453 0.00010607
-0.04651074 0.00193663 -0.02612522
10.85472870 15.42331933 15.32396863
0.00002395 -0.00021444 0.00027003
-0.01029992 0.00801311 -0.04530398
28.59574118 6.05208790 -3.19066040
0.00010659 0.00014487 -0.00032171
-0.01354740 0.01807339 0.00274087
5.48720607 -31.18662017 -3.23238211
0.00020664 -0.00013744 0.00016548
-0.01423469 -0.00098005 0.00099467
4.02344276 -31.69261084 -0.67661156
0.00069242 0.00033670 0.00008386
0.00404403 0.00883776 -0.00326054
-11.65266814 -3.65314348 -8.71032167
0.00008148 0.00060202 -0.00001463
-0.00003401 -0.02032788 0.01087472
-12.64819913 -1.84849505 -10.64470604
0.00025921 0.00107732 0.00016470
-0.01223773 0.00759147 -0.02300553
-39.03698661 2.06178935 0.91491086
-0.00068527 -0.00038907 0.00023653
0.00542130 0.00135261 -0.00089256
-37.82171423 3.98246366 -0.88193318
-0.00044627 0.00028071 -0.00032540
-0.00641673 0.02331778 -0.01559806
-10.69155964 -5.56831945 3.65113140
0.00101597 -0.00012250 -0.00009068
0.01716005 -0.02786240 -0.00688774
-10.49373893 -2.73804275 3.62865075
-0.00039767 -0.00017064 -0.00002151
0.01701403 0.01779319 -0.00308012
5.14689034 -2.58862203 8.41199598
-0.00086082 -0.00049390 0.00011153
0.01044452 0.02817625 -0.01160973
4.80411629 -3.60653240 11.06752270
-0.00008474 -0.00002029 -0.00056311
-0.00747986 0.00358446 0.01137667
-33.36156746 -1.76437757 -0.74960504
-0.00002155 0.00015032 0.00017218
-0.00294394 -0.00368281 0.00124094
-32.68297727 0.58677298 0.71825337
0.00048043 -0.00024922 0.00013943
0.00788838 -0.00474430 -0.01467929
14.63209790 12.68401204 -15.89292165
-0.00011538 -0.00038365 0.00038754
-0.00231345 0.00069529 0.05388517
16.23381090 11.93660913 -13.48144209
-0.00004017 0.00001946 -0.00014518
0.05355294 -0.01642799 0.01099241
-8.72973860 7.09373495 1.48628390
-0.00054803 0.00075190 0.00037110
0.00344256 0.00267233 -0.00170269
-7.45282574 4.60248118 1.43409797
0.00026603 -0.00096643 -0.00035131
0.00665237 -0.01969400 -0.02057394
6.15662558 12.31017744 -6.85741536
0.00040386 0.00006077 -0.00001952
-0.00312708 0.00100073 0.00177621
8.85338852 13.67841442 -6.78842663
0.00021540 0.00046246 -0.00067614
-0.00752976 -0.00864964 0.01811482
8.47378714 8.87495888 -20.42694481
-0.00011877 0.00001833 0.00016431
0.00118087 -0.00976204 -0.02373883
10.14300917 11.10282254 -19.39341667
-0.00079013 0.00082460 -0.00101591
0.01690897 0.00033325 -0.00738671
23.80008033 15.52199969 -2.61143099
-0.00071460 0.00016107 0.00030234
0.00162138 0.03075302 0.00352499
24.97210053 18.18870045 -2.35274962
0.00004321 -0.00013800 0.00043777
0.00030605 0.00881180 0.00105287
1.36131096 16.71034355 -21.23125405
-0.00007449 0.00001199 -0.00057890
0.02674130 0.01427157 0.02745873
2.87560104 15.19971962 -19.09779194
0.00119049 -0.00013457 0.00025806
0.01047001 -0.00586054 -0.00156570
12.83976009 -0.59319129 -6.77899322
-0.00071981 0.00064581 0.00029967
-0.00338797 -0.01624533 0.01206426
13.37035946 -1.32120207 -3.84707792
0.00035105 0.00030442 -0.00040124
-0.01790631 0.00902997 0.01149301
-17.24184365 -2.89946841 3.07810431
0.00021452 0.00118663 -0.00119287
-0.03225889 -0.00354637 -0.00638014
-14.67041127 -2.61206935 3.61150801
-0.00002788 0.00005702 0.00015466
0.01753866 0.00717979 -0.00602936
-16.12823285 -0.39492481 20.02758753
-0.00074441 -0.00063347 0.00051931
-0.00959123 0.00354119 0.00012820
-15.53290795 -3.09012438 19.41017730
-0.00036310 0.00017560 0.00010819
0.01168929 -0.01333031 0.00454033
-0.88424172 0.69322812 -5.17820715
0.00061202 0.00007636 0.00040639
0.01020653 -0.01436272 0.00331149
-0.79733330 3.45621648 -4.99728905
-0.00009844 0.00036272 -0.00013862
0.01064087 0.00241051 0.00440426
23.33255019 -8.75535470 -9.23971413
0.00091920 -0.00029131 0.00022755
0.01773728 -0.01851461 -0.00342067
23.75811968 -5.79930134 -8.68098140
0.00119885 -0.00014291 -0.00041532
0.00784018 -0.00559129 0.00326283
0.42678251 -5.85829875 5.80747862
-0.00025713 -0.00038048 -0.00053445
-0.00791161 -0.01101664 0.00157550
0.05079646 -5.28329832 8.51780461
0.00069321 -0.00093376 0.00060091
-0.00078679 -0.00804204 0.00880692
-0.87739931 -2.97303742 -18.77802299
0.00100854 -0.00010755 0.00012920
-0.01379766 0.02771433 -0.01397438
-2.99529717 -1.95123266 -20.55218704
-0.00025315 0.00073746 -0.00049419
-0.01598135 -0.00723352 -0.01095033
2.65181765 2.22569832 -11.03095261
-0.00001234 0.00012704 0.00071833
0.00226697 0.00946449 0.00760689
2.03281616 2.82844706 -8.05822273
0.00050866 0.00003624 0.00046878
0.01337047 -0.01877543 -0.01633074
-2.48225212 16.70345959 12.47381090
-0.00046576 0.00030881 -0.00053751
0.03018787 -0.01569382 0.00848148
-3.48837225 19.29878845 13.36038909
0.00015366 0.00016707 0.00072251
0.00501134 0.00467665 0.01528562
-4.70658283 6.34341607 -12.16700402
-0.00058118 -0.00010895 0.00109545
0.01713924 -0.02797880 0.03771230
-3.31340434 3.77160308 -12.51195836
-0.00101739 0.00027580 -0.00012897
-0.01234093 0.02058592 0.04374207
-7.90730912 2.15267408 -7.44698596
0.00000395 -0.00012974 0.00007454
0.01152459 -0.00906388 0.02139454
-6.25355986 3.59676946 -9.47899712
0.00078617 -0.00018417 -0.00012654
-0.03751981 -0.01349218 0.01308734
2.37424776 28.29436363 7.03902643
0.00111519 -0.00012050 0.00013141
0.00504889 0.01428070 -0.03062887
0.53994215 27.94099395 9.18819410
0.00023673 0.00075975 0.00051225
0.01488450 -0.00409882 -0.00466880
10.68619476 -7.42919792 -0.71389193
-0.00029516 -0.00041397 -0.00047372
-0.00694063 0.02413897 -0.01269524
8.70324524 -7.29287752 -2.83213574
-0.00017426 0.00032940 -0.00039307
0.00478742 0.00772950 0.00675859
-6.92322221 0.46623060 6.27313604
0.00034041 0.00072119 -0.00001280
-0.01957480 -0.00094388 0.00181980
-9.44065737 -0.73056283 6.83311000
-0.00012717 0.00107372 -0.00031046
-0.00358103 0.00828249 0.00190506
21.72405433 10.05803372 9.82771880
-0.00003456 0.00012858 -0.00040308
0.01208587 0.00169715 0.01430052
21.01783316 12.43603981 8.18104070
0.00014196 -0.00035107 0.00005150
-0.01243274 -0.02180827 0.01797049
-1.62960535 -3.54430211 -26.50779187
-0.00011324 -0.00022202 -0.00036968
0.02712500 -0.03391195 0.02267086
-4.11495348 -2.19193196 -26.77800549
-0.00026678 -0.00000689 -0.00007897
-0.03099142 0.00015389 0.00925323
-14.13239336 7.23319359 9.07420125
0.00071443 -0.00025241 0.00052900
0.00222123 -0.00151205 0.00239942
-15.29223084 7.18402577 6.52690859
-0.00080600 -0.00031164 0.00021264
-0.00198813 0.00388111 -0.00761344
-11.17418998 7.13638298 -3.48772918
-0.00013409 0.00104672 0.00067728
-0.01927216 -0.00616840 0.00181595
-8.74614362 8.31923922 -3.73895990
0.00017723 -0.00019249 0.00015842
0.02118894 0.00830030 -0.00216176
-1.27744065 -17.41859986 23.43448962
0.00003238 0.00032052 -0.00028190
0.00992022 0.01668634 -0.00344404
-3.62393466 -15.83570363 24.31628136
-0.00029363 -0.00002355 -0.00055971
0.05618026 0.01658317 -0.02063341
-2.55933158 5.90385165 -8.13139799
0.00103923 0.00058755 -0.00035042
-0.00060109 0.00175967 0.01516873
-3.94173304 7.62770688 -6.26550316
-0.00133065 -0.00010649 0.00022340
-0.00259467 -0.00630654 0.00779829
-21.20098913 30.50942303 3.01024786
-0.00007741 -0.00056813 0.00082744
-0.01011666 -0.01528710 -0.00959500
-21.33173125 31.81168552 5.53971883
0.00055510 -0.00166167 -0.00024391
0.01756815 -0.01037065 -0.01378384
7.06744253 -0.01557564 6.08777684
0.00025030 -0.00047819 -0.00006859
0.00548807 -0.01565371 0.02858896
7.54508898 1.91119687 7.98809058
0.00050167 0.00043394 -0.00019963
0.00066370 0.00026680 0.01709773
6.98950683 12.76454658 -14.01661482
0.00059947 -0.00019739 -0.00082115
-0.01209376 -0.00700180 0.00796609
4.33741399 11.91356667 -14.91719021
0.00118419 -0.00086009 0.00127286
-0.00418752 0.00501390 -0.00838253
14.51355252 3.77946191 -3.11794613
-0.00000957 -0.00023775 -0.00010880
-0.00475336 0.00278993 0.00143287
15.14275758 1.19760951 -1.89609579
0.00000348 0.00027528 0.00000618
-0.00874902 -0.02121172 -0.00324627
-2.60198369 13.36929103 -0.39087478
-0.00032770 -0.00050166 0.00034931
0.01276146 -0.00122706 -0.00217382
-5.24744498 12.86524768 0.42291271
0.00031636 -0.00011621 0.00068940
-0.01608444 -0.00148339 0.00742514
3.86166723 10.86138627 3.48536610
0.00037231 0.00060340 0.00001641
-0.02305046 -0.04197116 0.00963561
6.44273633 12.13640685 3.33853149
0.00002144 -0.00054793 -0.00080309
-0.02796235 0.00047042 -0.00356526
25.20305965 -12.98515979 -8.40454587
-0.00038805 0.00089354 0.00064276
0.00197731 0.00562627 -0.00875463
26.27182444 -11.50909450 -10.89952610
-0.00028257 0.00004395 0.00019390
0.02370559 -0.00423705 -0.01814243
14.71585299 -4.05777571 -0.85486178
0.00039298 0.00053597 0.00073899
0.00510245 0.00744670 0.00774457
17.14291578 -5.42331297 -0.79598068
0.00011703 0.00014328 0.00036394
0.01799053 -0.03685080 -0.00451140
12.25942562 7.94823768 11.78719252
0.00085801 0.00019394 -0.00026306
0.00676184 0.00737428 -0.02910578
13.29790454 9.63381020 9.36180307
0.00068471 0.00016017 0.00102403
-0.00405441 0.00866247 0.00669658
-0.16845322 -14.32157573 17.17126690
-0.00056340 0.00000856 0.00013633
0.01301896 -0.00974764 -0.00016887
1.48305967 -12.20174848 18.26481859
-0.00059528 -0.00076238 -0.00023136
0.00856294 -0.01022932 -0.00218215
-3.85302393 -2.28351791 -13.63243967
0.00039320 -0.00032997 -0.00003749
0.00344244 -0.03217646 0.01953790
-3.20573809 -0.62091620 -15.94279880
-0.00073358 -0.00078969 0.00066731
-0.01648770 -0.00689238 0.02372247
14.01098508 -8.18407963 -10.43015618
0.00071861 -0.00002455 0.00078354
0.02515288 0.00610188 -0.00316421
16.28310379 -6.51280762 -9.30037478
0.00089536 0.00031267 -0.00072392
0.01591552 0.02929708 -0.01334302
7.22349139 -5.68503558 9.11876140
-0.00075428 0.00037958 -0.00053591
-0.01209880 -0.00823743 0.00518701
9.27748220 -5.94923190 7.35556131
0.00017859 -0.00078159 0.00013148
0.02441215 0.01020464 -0.02911912
-21.42473546 1.90328675 20.87998654
-0.00095294 -0.00011930 -0.00053504
0.00503309 0.01413398 0.01372155
-21.83797730 0.70802058 23.42933512
-0.00036409 0.00091602 0.00106895
-0.00283723 0.00529784 0.00869092
26.59111474 -3.02120824 -6.34613624
0.00046147 -0.00011900 -0.00049208
-0.00008211 0.00521977 0.00557388
25.12000024 -1.51174889 -8.35789278
0.00003195 0.00002201 -0.00051042
0.00940508 -0.01318512 0.00538311
9.15178122 -15.77339658 -7.65071196
0.00037312 -0.00063891 -0.00006039
-0.00385157 -0.01029387 0.00383989
8.84046375 -12.80598727 -7.04885183
0.00062009 0.00015292 0.00039997
0.00596149 -0.01237951 -0.00248109
-5.82694489 -11.15478862 17.96792399
-0.00042337 0.00015050 0.00030122
0.01595370 0.02218737 0.02347064
-7.35673435 -11.33449147 15.59471067
0.00003584 0.00002827 -0.00012331
0.00557135 -0.00011906 -0.00255685
8.60783656 1.69077584 -29.40469210
-0.00096430 -0.00067809 0.00021536
0.02292234 -0.02560484 0.00381565
6.57650685 3.20923726 -30.42367583
-0.00074808 0.00023049 0.00084786
0.01621839 0.01153464 0.01699657
12.46779658 15.23706223 14.42289850
-0.00020700 0.00097455 0.00009632
0.01650978 -0.00208117 0.00962555
11.05309009 15.89349557 17.02302233
-0.00034087 -0.00049852 -0.00056470
0.01379073 0.01063608 0.03166653
29.41316151 4.87990153 -4.35436615
0.00049058 -0.00045560 0.00008772
-0.01367837 0.00248451 -0.00646404
26.84768696 6.50833695 -3.73167918
0.00015301 -0.00015257 -0.00024697
0.02042280 -0.00847655 0.00133859
-9.94750678 4.86194367 6.80687317
0.00002856 -0.00007508 -0.00023901
-0.00249444 0.00661486 -0.00074343
-8.69426874 13.28747818 2.59540404
-0.00005798 0.00006985 0.00000590
-0.00306553 -0.00143424 -0.00060962
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09647829
0.27570916
367.36862812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4391923352 (a.u.)
total exchange computation time: 2.7358779907 s
-154.3450287940
-931.37338024
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.4382682390 (a.u.)
total exchange computation time: 2.7394280434 s
-154.3535963398
Anderson extrapolation: theta=1.3433494325 (1.3433494325)
-931.37361171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.960 s
total exchange = -52.4369062905 (a.u.)
total exchange computation time: 2.7366638184 s
-154.3659229666
Anderson extrapolation: theta=0.0505661659 (0.0505661659)
-931.37375053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4367447165 (a.u.)
total exchange computation time: 2.7378330231 s
-154.3672164342
Anderson extrapolation: theta=1.8836516157 (1.8836516157)
-931.37375563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.960 s
total exchange = -52.4364149787 (a.u.)
total exchange computation time: 2.7348120213 s
-154.3697790949
Anderson extrapolation: theta=0.2137393806 (0.2137393806)
-931.37376055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.4363381711 (a.u.)
total exchange computation time: 2.7378630638 s
-154.3703104735
Anderson extrapolation: theta=1.8981074631 (1.8981074631)
-931.37376145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.965 s
total exchange = -52.4362156902 (a.u.)
total exchange computation time: 2.7364771366 s
-154.3710854321
Anderson extrapolation: theta=0.2806945178 (0.2806945178)
-931.37376258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4362053828 (a.u.)
total exchange computation time: 2.7371788025 s
-154.3710758216
Anderson extrapolation: theta=1.3164256594 (1.3164256594)
-931.37376291
-71.807132 23.410567 142.067010
559.080070 1031.501591 -412.530054
487.272938 1054.912158 -270.463044
1193.073693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1317252569
ExchangeOperator: bisection time: 3.049 s
total exchange = -52.4362104396 (a.u.)
total exchange computation time: 2.7375829220 s
679.83352857
-1085.77794459
89.83431803
-387.80112170
-175.02633310
79.42393911
551.60419304
0.00000000
-931.37376322
3.93235219 -30.76874834 -2.27883015
0.00007766 -0.00024002 0.00000929
0.01770805 -0.02896896 0.00240789
-11.60072390 -1.92675739 -9.21078208
0.00022578 0.00031104 -0.00012380
0.00643836 0.01975217 0.01141539
-37.47189327 2.48333884 0.05203049
0.00006966 -0.00009913 0.00024440
-0.00301716 -0.02850715 0.01869835
-11.65917008 -4.07512933 3.83322979
-0.00027226 -0.00009311 0.00007784
-0.02555533 0.00342093 0.01351302
4.37277579 -3.90851420 9.31660012
-0.00031931 -0.00007415 -0.00029869
-0.01169815 -0.03162628 0.00366517
-31.97517981 -0.60282978 -0.50611042
-0.00043725 0.00058775 0.00039313
-0.01955035 -0.00385806 0.01239308
14.67401997 12.60659128 -13.88427765
-0.00058339 0.00000338 0.00025092
-0.04450816 0.01248313 -0.06449921
-7.69835829 6.00203092 2.53166670
-0.00001875 0.00024514 0.00019310
-0.00670451 0.00834946 0.01392699
7.57884000 12.58870372 -5.75008532
-0.00005707 -0.00015005 -0.00028162
-0.00203019 -0.00298745 -0.01413751
8.87343717 9.86201628 -19.00108225
-0.00010654 0.00004894 0.00016465
-0.00831023 0.00633702 0.02656486
23.37030121 17.32230765 -2.15712224
0.00000304 -0.00008931 -0.00013702
-0.02315317 -0.02292906 -0.00331194
2.26264697 16.88929538 -19.49412695
-0.00017846 -0.00003970 -0.00037463
-0.02998912 -0.00305244 -0.01816377
14.00756865 -1.25825689 -5.51678197
0.00000089 0.00024153 -0.00031703
0.01993637 -0.00058602 -0.02921808
-16.08053685 -1.50967924 3.18447105
0.00001067 0.00032025 0.00000649
0.01549084 -0.00508363 0.01194366
-16.81961539 -1.87811361 19.13128558
0.00052243 -0.00024739 -0.00043890
-0.00060619 0.01169751 -0.00240099
0.39435714 2.02736008 -4.98761771
0.00007711 -0.00016506 0.00017088
-0.02052455 0.02385066 -0.00209615
22.56878301 -7.17476492 -8.89529519
0.00006906 0.00013825 0.00014432
-0.02309483 0.02236045 0.00271694
-0.62272370 -6.41401809 7.24737899
-0.00020121 0.00013519 -0.00001442
0.01258468 0.01251764 -0.01192869
-1.78805212 -1.39389735 -19.33249520
0.00010224 0.00003799 -0.00006927
0.02572857 -0.02608879 0.02594545
3.25677594 2.06846726 -9.30383572
-0.00016705 -0.00030206 -0.00009882
-0.00710473 0.00376826 0.01850164
-3.81220571 17.88600644 12.29062297
-0.00012173 -0.00034991 0.00010808
-0.02938064 0.01886619 -0.02283193
-3.84473756 4.97542374 -11.06130514
-0.00009728 -0.00000121 0.00011439
0.00067251 0.00671614 -0.08869779
-8.02263404 3.03352916 -8.97824864
0.00010775 -0.00033231 0.00002406
0.02598119 0.02653316 -0.03406113
2.19965392 27.40082933 8.56044887
0.00031963 0.00013045 0.00015824
-0.02719653 -0.01203552 0.03568814
9.86295377 -6.18427189 -1.89737174
-0.00025744 -0.00007110 0.00018569
0.00290126 -0.03002334 0.00849183
-8.77002635 0.74670984 5.98331988
0.00003231 0.00001928 0.00018905
0.02009700 -0.00427425 -0.00460051
20.36045948 10.77265245 8.89392525
-0.00004784 0.00016715 -0.00000646
-0.00022861 0.02451468 -0.03149858
-2.39092026 -2.14023982 -27.21742448
0.00063199 0.00005536 -0.00020124
-0.00872409 0.03858408 -0.03196304
-14.32008315 6.13581898 7.63560353
-0.00005363 0.00016271 0.00028480
0.00497521 -0.00682746 0.00427937
-9.63607844 7.27256516 -2.55365017
0.00032255 0.00010692 0.00016894
-0.01326519 -0.00918510 0.01011412
-1.74108688 -15.60024082 23.69424917
-0.00008412 0.00033889 -0.00043921
-0.06327243 -0.02485257 0.02352043
-2.63854973 6.30810920 -6.30670921
-0.00002538 -0.00008248 0.00018375
-0.00734090 0.01014686 -0.02095465
-20.07194068 31.05217063 4.34001690
0.00009182 -0.00017430 -0.00033051
-0.02956228 -0.00708077 0.03291740
7.60104378 0.07453283 7.94250524
0.00000828 0.00024425 -0.00043899
-0.00864362 0.02005264 -0.04288368
5.63500964 11.46488452 -13.75229037
0.00007768 0.00034713 0.00022848
0.02659921 -0.00708689 0.01808138
15.58891869 2.90252016 -1.94888274
-0.00028188 -0.00039503 0.00010427
0.02521645 0.03575003 0.01042444
-4.30125531 13.53319147 -0.97143823
-0.00025613 -0.00021794 0.00020752
0.00720352 -0.00504665 -0.01077625
4.56766957 12.44247988 3.17865975
0.00007555 -0.00032542 -0.00028891
0.05934645 0.06868089 -0.02000060
24.95399171 -11.69318850 -9.70057915
0.00034316 0.00015126 -0.00037939
-0.03277102 -0.00470210 0.03091136
16.48667243 -3.81090949 -0.47016480
0.00013177 0.00017242 -0.00022858
-0.01289561 0.03467600 0.00066605
12.96803749 7.95323411 10.01871129
0.00006802 0.00007357 0.00026672
0.00037050 -0.01721897 0.01434964
1.60774283 -13.94543728 17.66322509
0.00000637 -0.00014842 0.00000190
-0.01161554 0.01571481 -0.00192816
-4.25956942 -0.72169490 -14.34927804
0.00041817 0.00001765 0.00021621
0.01782373 0.03873377 -0.04187614
15.12408134 -7.84066727 -8.98170370
-0.00007769 0.00042257 0.00011274
-0.04053728 -0.03531360 0.01444932
8.58379108 -6.86588963 8.71260023
-0.00033371 -0.00045991 0.00032075
-0.00822244 0.00245066 0.01827669
-21.27041350 2.31456105 22.71828244
0.00017833 -0.00004296 0.00015828
-0.00078499 -0.01477233 -0.02952022
25.74976694 -3.23795719 -7.95219973
-0.00017924 -0.00010141 -0.00023342
-0.00508924 0.01791721 -0.00976208
9.82924138 -14.11330952 -7.92239346
0.00005443 0.00022550 -0.00044564
0.00521407 0.02371400 -0.00211569
-6.56138384 -12.36526267 16.89258630
-0.00039730 -0.00039144 0.00022889
-0.00737873 -0.00428577 -0.02788156
8.16871058 3.41381495 -29.36989384
-0.00027180 -0.00021418 0.00009280
-0.04535408 -0.00058441 -0.02550214
10.85504814 15.42013357 15.32784428
0.00001816 -0.00021073 0.00024503
-0.01220954 0.00643198 -0.05190838
28.59728775 6.05433070 -3.19547547
0.00010015 0.00015372 -0.00032038
-0.01148978 0.01633870 0.00241912
5.48986953 -31.18871186 -3.22986940
0.00014827 -0.00014134 0.00016894
-0.01433768 -0.00092818 0.00069991
4.03395303 -31.68728956 -0.67545352
0.00070813 0.00037119 0.00007299
0.00364331 0.00804500 -0.00206074
-11.65144703 -3.64473612 -8.71020788
0.00008050 0.00051609 0.00002953
-0.00044357 -0.02173614 0.01074333
-12.64468602 -1.83210256 -10.64294050
0.00020739 0.00110766 0.00006846
-0.01312938 0.00725594 -0.02410655
-39.04709958 2.05599478 0.91843139
-0.00065448 -0.00038079 0.00022809
0.00965041 0.00270107 -0.00323522
-37.82860497 3.98738885 -0.88729215
-0.00047014 0.00036580 -0.00038281
-0.00526434 0.01833516 -0.01250522
-10.67579427 -5.57101078 3.64956012
0.00107820 -0.00022618 -0.00011737
0.01330411 -0.02288805 -0.00617781
-10.49918258 -2.74005708 3.62823373
-0.00032779 -0.00009570 -0.00003410
0.01719183 0.01888876 -0.00308205
5.13429806 -2.59516709 8.41331312
-0.00081294 -0.00036907 0.00005642
0.01299449 0.03292607 -0.01536378
4.80261594 -3.60672685 11.05942465
-0.00011502 -0.00000571 -0.00051377
-0.00734210 0.00355030 0.01277829
-33.36198096 -1.76223560 -0.74698425
-0.00003366 0.00013625 0.00017787
-0.00298259 -0.00320322 0.00154065
-32.67552909 0.58288930 0.71989500
0.00050595 -0.00025910 0.00008950
0.00460293 -0.00008980 -0.00976207
14.63029634 12.67827855 -15.88545729
-0.00012636 -0.00038002 0.00060579
-0.00306010 0.00108259 0.05294949
16.23484933 11.93639761 -13.48328293
0.00016971 -0.00004350 -0.00010195
0.04918700 -0.01439241 0.01016696
-8.73785361 7.10509536 1.49179825
-0.00052918 0.00075644 0.00036718
0.00578584 -0.00045272 -0.00021713
-7.44863141 4.58738129 1.42819789
0.00028867 -0.00102723 -0.00042266
0.00442937 -0.01007168 -0.01435348
6.16258761 12.31111960 -6.85765375
0.00038424 0.00006323 -0.00001718
-0.00647786 0.00020665 -0.00062793
8.85638878 13.68508622 -6.79801371
0.00018194 0.00042388 -0.00059903
-0.00885093 -0.01023297 0.01963561
8.47204183 8.87493473 -20.42520755
-0.00011452 -0.00002166 0.00006838
0.00089871 -0.00981651 -0.02322053
10.13167541 11.11520171 -19.40888163
-0.00072434 0.00082265 -0.00104394
0.01529584 -0.00128512 -0.00633480
23.78941100 15.52535815 -2.60678781
-0.00070579 0.00028172 0.00031473
0.00269413 0.02830241 0.00253642
24.97275804 18.18690044 -2.34615075
0.00004527 -0.00010251 0.00044111
0.00070273 0.00856294 0.00058125
1.36101299 16.71096076 -21.23909608
0.00003497 0.00006877 -0.00046571
0.02684393 0.01352023 0.02794778
2.89377923 15.19752144 -19.09396904
0.00122875 -0.00015021 0.00024815
0.00825676 -0.00179155 -0.00328582
12.82885912 -0.58400195 -6.77412855
-0.00073144 0.00057848 0.00034954
-0.00230656 -0.01671208 0.01235053
13.37507646 -1.31635904 -3.85274431
0.00027737 0.00034070 -0.00035059
-0.01815939 0.00872678 0.01330110
-17.23961438 -2.88177760 3.06001577
0.00007622 0.00116382 -0.00121940
-0.03543951 -0.00761815 -0.00660448
-14.67029204 -2.61099407 3.61364313
0.00004115 0.00008737 0.00012950
0.01625287 0.00767533 -0.00628432
-16.13969290 -0.40431828 20.03538116
-0.00078136 -0.00061569 0.00052125
-0.00849397 0.00515848 0.00082050
-15.53799629 -3.08789880 19.41193929
-0.00030503 0.00011164 0.00012901
0.01673722 -0.01798145 0.00565242
-0.87474863 0.69393345 -5.17200985
0.00064832 0.00001282 0.00041880
0.00755964 -0.01674123 0.00276303
-0.79848379 3.46173119 -4.99923347
-0.00005111 0.00036665 -0.00012076
0.01252462 -0.00048899 0.00433892
23.34688169 -8.76029165 -9.23640567
0.00098482 -0.00035647 0.00021569
0.01438276 -0.01338450 -0.00238423
23.77634263 -5.80161628 -8.68711126
0.00122481 -0.00016923 -0.00040215
0.00487045 -0.00729244 0.00318626
0.42268319 -5.86434351 5.79951010
-0.00029069 -0.00042501 -0.00052461
-0.00851618 -0.01078419 0.00324281
0.06117050 -5.29755121 8.52708820
0.00069013 -0.00096708 0.00063402
-0.00071995 -0.00826790 0.00740063
-0.86269400 -2.97380142 -18.77651324
0.00094750 0.00001001 0.00006872
-0.01608288 0.02983230 -0.01562821
-2.99958417 -1.94039247 -20.55993546
-0.00031331 0.00070766 -0.00053442
-0.01346470 -0.00734988 -0.00874119
2.65170200 2.22789398 -11.01994452
-0.00000721 0.00016690 0.00073787
0.00024398 0.01004384 0.00195740
2.04085578 2.82841539 -8.05169141
0.00056278 -0.00004094 0.00040117
0.01312310 -0.01900652 -0.01676454
-2.48831344 16.70761090 12.46600810
-0.00033281 0.00023697 -0.00050167
0.03489252 -0.01947428 0.00906520
-3.48591383 19.30143781 13.37169512
0.00017167 0.00017488 0.00077667
0.00380727 -0.00085218 0.01122670
-4.71477535 6.34092446 -12.14941668
-0.00051284 -0.00021987 0.00124617
0.01631417 -0.02631931 0.03606477
-3.32904333 3.77637097 -12.51255257
-0.00106575 0.00035777 0.00004767
-0.01133248 0.01953833 0.04272616
-7.90689678 2.15045021 -7.44521230
0.00005133 -0.00016701 0.00016229
0.01167118 -0.00917784 0.02156127
-6.24291698 3.59359343 -9.48049423
0.00062693 -0.00024111 -0.00007117
-0.04043272 -0.01438023 0.01401920
2.39113037 28.29299381 7.04005906
0.00113476 -0.00006245 0.00000754
0.00452691 0.01413309 -0.03000724
0.54394914 27.95226453 9.19573476
0.00030220 0.00074178 0.00049011
0.01716598 -0.00469534 -0.00617064
10.68155471 -7.43466778 -0.72138677
-0.00032244 -0.00031678 -0.00052361
-0.00641650 0.02343823 -0.01172377
8.70077807 -7.28769960 -2.83782469
-0.00015500 0.00036068 -0.00036533
0.00463715 0.00758064 0.00682280
-6.91871592 0.47701953 6.27299980
0.00025736 0.00071599 -0.00000499
-0.02107680 -0.00160324 0.00200282
-9.44267459 -0.71420319 6.82851154
-0.00014641 0.00109418 -0.00029501
-0.00583916 0.00173019 0.00565419
21.72390634 10.06001444 9.82211081
0.00001646 0.00013403 -0.00034316
0.01288822 0.00097089 0.01503290
21.01958165 12.43010542 8.18236382
0.00009211 -0.00043575 0.00012263
-0.01197311 -0.01964092 0.01685133
-1.63047268 -3.54867161 -26.51264237
-0.00000160 -0.00036235 -0.00027662
0.02751960 -0.03478133 0.02288169
-4.11990483 -2.19203059 -26.77890651
-0.00037605 -0.00000541 -0.00004568
-0.02249944 0.00057227 0.00704315
-14.12160883 7.22936106 9.08220976
0.00072242 -0.00025774 0.00053718
0.00168942 -0.00109537 0.00160625
-15.30438181 7.17947007 6.52986491
-0.00081191 -0.00029677 0.00018534
-0.00090493 0.00339754 -0.00574921
-11.17679182 7.15189477 -3.47751436
-0.00021161 0.00102156 0.00068570
-0.01867635 -0.00614742 0.00230526
-8.74283588 8.31660615 -3.73664989
0.00026536 -0.00015681 0.00014740
0.02194936 0.00916590 -0.00323045
-1.27665089 -17.41328068 23.43015552
0.00007323 0.00038867 -0.00029598
0.01007418 0.01667266 -0.00344702
-3.62661761 -15.83554876 24.30725338
-0.00006362 0.00004486 -0.00064390
0.05641390 0.01690430 -0.02057397
-2.54376148 5.91271878 -8.13618944
0.00103548 0.00059590 -0.00028310
-0.00123575 0.00233087 0.01778623
-3.96177236 7.62591625 -6.26191324
-0.00133265 -0.00014037 0.00025456
0.00161548 -0.01027652 0.00745734
-21.20246028 30.50043258 3.02236542
-0.00012291 -0.00063330 0.00078024
-0.01215702 -0.01661296 -0.01350717
-21.32286636 31.78644264 5.53563784
0.00062067 -0.00169829 -0.00029283
0.01452881 -0.00755308 -0.01016660
7.07136515 -0.02322822 6.08762406
0.00027131 -0.00054004 0.00004501
0.00480013 -0.01461818 0.02701899
7.55263435 1.91771421 7.98562009
0.00050385 0.00043168 -0.00013143
0.00040480 -0.00137363 0.01628438
6.99812825 12.76137118 -14.02868801
0.00054876 -0.00022642 -0.00078712
-0.01272705 -0.00720930 0.00869443
4.35504858 11.90081893 -14.89835421
0.00114381 -0.00083217 0.00121816
-0.01557879 0.00865456 -0.01839223
14.51326336 3.77598116 -3.11953422
-0.00002847 -0.00022681 -0.00010215
-0.00450113 0.00256528 0.00182232
15.14254172 1.20108871 -1.89610256
-0.00003575 0.00017569 -0.00000673
-0.01045722 -0.02753680 -0.00307105
-2.60650819 13.36172854 -0.38570181
-0.00027503 -0.00050630 0.00033935
0.01302410 -0.00104355 -0.00269787
-5.24319246 12.86345909 0.43348126
0.00024981 -0.00012180 0.00071852
-0.01649045 -0.00125478 0.00683074
3.86654550 10.86915116 3.48590749
0.00027157 0.00041883 0.00005829
-0.02626310 -0.04837817 0.01086494
6.44220105 12.12820231 3.32637585
-0.00009136 -0.00054584 -0.00081682
-0.02725173 0.00055086 -0.00315410
25.19729952 -12.97158434 -8.39517273
-0.00037895 0.00091704 0.00060549
0.00247757 0.00588098 -0.00949164
26.26831227 -11.50856513 -10.89717353
-0.00017476 0.00002715 0.00011187
0.02906781 -0.00398610 -0.02201186
14.72190412 -4.04950793 -0.84353962
0.00040616 0.00056479 0.00076870
0.00134534 0.00665916 0.00679799
17.14522247 -5.42229299 -0.79065977
0.00018979 -0.00000755 0.00034554
0.01762749 -0.03698274 -0.00449671
12.27250304 7.95137279 11.78235470
0.00088183 0.00022306 -0.00037301
0.00489623 0.00687861 -0.02471557
13.30805100 9.63647813 9.37736867
0.00066826 0.00019618 0.00104972
-0.00400012 0.00896612 0.00588182
-0.17650534 -14.32174605 17.17330673
-0.00050537 -0.00003168 0.00013640
0.01538691 -0.00995000 0.00020028
1.47439294 -12.21349761 18.26128139
-0.00055939 -0.00079476 -0.00023650
0.00900371 -0.00562196 -0.00033366
-3.84702040 -2.28945340 -13.63240332
0.00040533 -0.00045694 0.00004098
0.00249339 -0.02997540 0.01887509
-3.21724704 -0.63297271 -15.93206218
-0.00079341 -0.00081560 0.00075366
-0.01279965 -0.00579309 0.01854595
14.02253496 -8.18426094 -10.41850009
0.00081286 -0.00000221 0.00076060
0.02098479 0.00483487 -0.00806568
16.29702192 -6.50721989 -9.31164238
0.00095285 0.00042365 -0.00077570
0.01222579 0.02502970 -0.01200574
7.21180644 -5.67959432 9.11088164
-0.00079729 0.00033988 -0.00051667
-0.00895391 -0.01119527 0.00423502
9.28090907 -5.96064304 7.35664128
0.00027690 -0.00074233 0.00001636
0.02371031 0.00901201 -0.02723307
-21.43887526 1.90193043 20.87238147
-0.00093108 -0.00006100 -0.00046953
0.00566374 0.01440304 0.01834426
-21.84352554 0.72192321 23.44563575
-0.00037695 0.00093305 0.00110456
-0.00345742 0.00304027 0.00873809
26.59803427 -3.02283334 -6.35334664
0.00046015 -0.00009767 -0.00047041
-0.00056488 0.00522433 0.00503374
25.12076769 -1.51182277 -8.36538420
0.00007053 -0.00003268 -0.00048774
0.00948225 -0.01358831 0.00571977
9.15726002 -15.78329562 -7.65150013
0.00036156 -0.00066962 -0.00004603
-0.00180566 -0.00473916 0.00319039
8.84994784 -12.80407283 -7.04292826
0.00064376 0.00010177 0.00038961
0.00562386 -0.01265837 -0.00259345
-5.83280662 -11.15185118 17.97316147
-0.00036136 0.00023505 0.00039243
0.01440103 0.01919870 0.02117980
-7.35602606 -11.33407113 15.59278267
0.00005992 0.00002501 -0.00013114
0.00621927 -0.00147661 -0.00127451
8.59407441 1.67981991 -29.40134483
-0.00087240 -0.00077688 0.00023081
0.02206722 -0.02275272 0.00374956
6.56578260 3.21304802 -30.41043712
-0.00068195 0.00027718 0.00091583
0.01615552 0.01132407 0.01627815
12.46519745 15.25161670 14.42463825
-0.00013706 0.00096520 0.00013381
0.01772675 -0.00249612 0.00872705
11.04839970 15.88634370 17.01552225
-0.00028280 -0.00045075 -0.00042041
0.01463043 0.01274752 0.03896112
29.42010106 4.87314368 -4.35324841
0.00043252 -0.00044265 0.00006344
-0.01474184 0.00385265 -0.00542322
26.85060798 6.50578867 -3.73534265
0.00023452 -0.00018673 -0.00024236
0.01947526 -0.00824536 0.00091564
-9.94708511 4.86083517 6.80328601
0.00002765 -0.00007267 -0.00023927
-0.00257277 0.00686149 -0.00071665
-8.69514372 13.28852351 2.59549143
-0.00005870 0.00006953 0.00000576
-0.00316483 -0.00134026 -0.00057816
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09648370
0.27727952
369.46105803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.146 s
total exchange = -52.4398530918 (a.u.)
total exchange computation time: 2.6639778614 s
-154.3525070942
-931.37523655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.144 s
total exchange = -52.4389420430 (a.u.)
total exchange computation time: 2.6658101082 s
-154.3611037463
Anderson extrapolation: theta=1.3747125051 (1.3747125051)
-931.37547436
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.137 s
total exchange = -52.4376004641 (a.u.)
total exchange computation time: 2.6653790474 s
-154.3735377787
Anderson extrapolation: theta=0.0637473465 (0.0637473465)
-931.37562277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.139 s
total exchange = -52.4374523822 (a.u.)
total exchange computation time: 2.6635110378 s
-154.3747960655
Anderson extrapolation: theta=2.2384130210 (2.0000000000)
-931.37562995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.138 s
total exchange = -52.4371539028 (a.u.)
total exchange computation time: 2.6645379066 s
-154.3772576466
Anderson extrapolation: theta=0.3666979451 (0.3666979451)
-931.37563795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.140 s
total exchange = -52.4370641646 (a.u.)
total exchange computation time: 2.6651558876 s
-154.3779304168
Anderson extrapolation: theta=1.1745368635 (1.1745368635)
-931.37563962
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.140 s
total exchange = -52.4369961262 (a.u.)
total exchange computation time: 2.6655831337 s
-154.3783576488
Anderson extrapolation: theta=0.4597730010 (0.4597730010)
-931.37564069
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.140 s
total exchange = -52.4370002034 (a.u.)
total exchange computation time: 2.6663818359 s
-154.3782226804
Anderson extrapolation: theta=0.8509077285 (0.8509077285)
-931.37564101
-71.776868 23.421461 142.044937
559.106287 1031.504043 -412.490910
487.329420 1054.925504 -270.445973
1193.104692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.322 s
total exchange = -52.4370287632 (a.u.)
total exchange computation time: 2.6649491787 s
679.85540514
-1085.81688438
89.82925792
-387.77587822
-175.03051282
79.44476753
551.60419304
0.00000000
-931.37564112
3.93358538 -30.77246031 -2.27868151
0.00008676 -0.00025466 0.00001029
0.01769730 -0.02798130 0.00147839
-11.59731236 -1.92201558 -9.21259498
0.00022922 0.00032146 -0.00011780
0.00693360 0.02077662 0.01188730
-37.47086003 2.48174187 0.05576857
0.00006676 -0.00011261 0.00025361
-0.00825534 -0.02388345 0.01711991
-11.66335255 -4.07651282 3.83444949
-0.00028420 -0.00009286 0.00008457
-0.02086901 -0.00245967 0.01267007
4.36794103 -3.90974843 9.31213387
-0.00032580 -0.00009135 -0.00029633
-0.01354072 -0.03525956 0.00551130
-31.98181397 -0.59402843 -0.50016564
-0.00044639 0.00058427 0.00039798
-0.01600269 -0.00968292 0.00646569
14.66509748 12.60669011 -13.88076266
-0.00060433 0.00000894 0.00021850
-0.03693581 0.00914899 -0.06155631
-7.69866537 6.00574029 2.53461696
-0.00002219 0.00024777 0.00019833
-0.00666890 0.00186183 0.00641640
7.57797610 12.58644139 -5.75436418
-0.00005692 -0.00015105 -0.00028855
0.00261574 -0.00087785 -0.01281236
8.87180703 9.86277486 -18.99851003
-0.00011027 0.00005255 0.00017767
-0.00618876 0.00769975 0.02405668
23.37025747 17.32087959 -2.15919031
-0.00000915 -0.00010023 -0.00013843
-0.02423692 -0.01955948 -0.00217255
2.25985438 16.88868806 -19.49981653
-0.00019329 -0.00004217 -0.00038348
-0.02768506 -0.00654748 -0.01621908
14.00765884 -1.25463616 -5.52165009
0.00001089 0.00024137 -0.00033226
0.01895997 -0.00006572 -0.03000574
-16.08031712 -1.50489516 3.18461443
0.00001964 0.00031825 0.00001277
0.01939211 -0.00268220 0.01249972
-16.81178132 -1.88177940 19.12469281
0.00052072 -0.00024069 -0.00044057
-0.00603447 0.01436917 -0.00409944
0.39543461 2.02497611 -4.98506265
0.00006682 -0.00015145 0.00016996
-0.01947780 0.02910788 -0.00147715
22.56972978 -7.17260484 -8.89311997
0.00005881 0.00014871 0.00014541
-0.01675974 0.01830352 0.00155586
-0.62569324 -6.41194197 7.24711667
-0.00019462 0.00014163 -0.00002056
0.01302504 0.01251332 -0.01193289
-1.78641923 -1.39342810 -19.33343412
0.00011521 0.00002419 -0.00005627
0.02467810 -0.02759552 0.02460958
3.25424275 2.06395091 -9.30524671
-0.00017004 -0.00030030 -0.00008778
-0.00449717 0.00306077 0.02444590
-3.81414499 17.88083052 12.29215608
-0.00013742 -0.00033809 0.00009725
-0.03161980 0.02710866 -0.01928184
-3.84619410 4.97543156 -11.05993136
-0.00009688 0.00000208 0.00006976
0.00086151 0.00607738 -0.08486182
-8.02091764 3.02864688 -8.97801911
0.00012162 -0.00031860 0.00000656
0.02796600 0.02678708 -0.03398921
2.20434346 27.40273969 8.56296015
0.00030538 0.00012458 0.00017647
-0.02821621 -0.01079980 0.03520892
9.85910334 -6.18545425 -1.89455366
-0.00025611 -0.00008618 0.00018973
0.00228310 -0.02858687 0.00723504
-8.76946421 0.74698250 5.98613787
0.00004354 0.00001895 0.00018563
0.02358366 0.00302113 -0.00869225
20.35974107 10.77525430 8.89370681
-0.00004825 0.00017916 -0.00002239
-0.00136906 0.02216479 -0.03045165
-2.38147405 -2.13926059 -27.22056636
0.00062532 0.00007484 -0.00021696
-0.01720870 0.03716384 -0.02918195
-14.32086839 6.13823330 7.63989211
-0.00005119 0.00015924 0.00028673
0.00450354 -0.00664868 0.00320097
-9.63129132 7.27413355 -2.55107700
0.00031523 0.00010197 0.00017420
-0.01522610 -0.01005191 0.01034446
-1.74259273 -15.59525336 23.68775171
-0.00011652 0.00032611 -0.00042715
-0.06272467 -0.02483318 0.02339560
-2.63895872 6.30691118 -6.30403379
-0.00003001 -0.00007644 0.00017254
-0.01068912 0.01334626 -0.02262984
-20.07067747 31.04952887 4.33518619
0.00007801 -0.00017839 -0.00031378
-0.02410611 -0.00882436 0.03216524
7.60113471 0.07827399 7.93575500
0.00000411 0.00025474 -0.00046018
-0.00757373 0.02072452 -0.03954018
5.63627744 11.47006420 -13.74879336
0.00009432 0.00034252 0.00024022
0.03809500 -0.01086581 0.02755839
15.58478771 2.89673260 -1.94727846
-0.00026861 -0.00037518 0.00010953
0.02640275 0.04143735 0.01003030
-4.30506940 13.52990296 -0.96836703
-0.00025235 -0.00022066 0.00020235
0.00746898 -0.00553992 -0.00931285
4.56903171 12.43786345 3.17424893
0.00010634 -0.00028882 -0.00029955
0.06037965 0.07367571 -0.02138073
24.95901264 -11.69093769 -9.70615076
0.00032496 0.00014876 -0.00036244
-0.03796955 -0.00504413 0.03501997
16.48859927 -3.80818945 -0.47359089
0.00012639 0.00019017 -0.00022810
-0.00803229 0.03434213 0.00118072
12.96905922 7.95427124 10.02276749
0.00006875 0.00006477 0.00027289
0.00247679 -0.01699617 0.00962605
1.60779357 -13.94760297 17.66324619
-0.00000023 -0.00014155 0.00000029
-0.01403963 0.01101926 -0.00434145
-4.25322812 -0.72128078 -14.34619646
0.00042659 0.00003642 0.00019655
0.01493277 0.03425504 -0.03457278
15.12275968 -7.83446487 -8.97995693
-0.00009638 0.00040603 0.00012124
-0.03216552 -0.02902703 0.01863737
8.57875377 -6.87277876 8.71748198
-0.00033832 -0.00045741 0.00032959
-0.00971418 0.00724981 0.01610936
-21.26774154 2.31385964 22.72054282
0.00017794 -0.00005004 0.00014205
-0.00073601 -0.01275620 -0.03362040
25.74705875 -3.23940927 -7.95573874
-0.00018163 -0.00009216 -0.00023831
-0.00422113 0.01806188 -0.00923487
9.83007792 -14.10983551 -7.92908621
0.00005667 0.00023625 -0.00044655
0.00350392 0.01808153 -0.00143000
-6.56737186 -12.37115073 16.89591204
-0.00040060 -0.00039232 0.00021492
-0.00543380 0.00086023 -0.02642426
8.16445862 3.41059999 -29.36860024
-0.00029466 -0.00021535 0.00007992
-0.04353647 -0.00395504 -0.02456264
10.85527340 15.41699743 15.33131947
0.00001151 -0.00020771 0.00021699
-0.01364524 0.00531884 -0.05713738
28.59874567 6.05669954 -3.20027189
0.00009488 0.00016165 -0.00031917
-0.00900553 0.01450704 0.00228609
5.49165428 -31.19086043 -3.22731380
0.00009013 -0.00014520 0.00017089
-0.01412537 -0.00095830 0.00025319
4.04468659 -31.68147524 -0.67442177
0.00072227 0.00040225 0.00006737
0.00327815 0.00716217 -0.00069295
-11.65025310 -3.63766089 -8.70943568
0.00007781 0.00042604 0.00007259
-0.00087619 -0.02234180 0.01033586
-12.64197755 -1.81526538 -10.64265237
0.00015326 0.00113637 -0.00003039
-0.01336525 0.00679867 -0.02427856
-39.05662111 2.05036576 0.92175364
-0.00060730 -0.00036726 0.00021068
0.01344516 0.00392253 -0.00528949
-37.83581834 3.99343774 -0.89341752
-0.00048896 0.00042960 -0.00042695
-0.00395014 0.01289454 -0.00910074
-10.65921355 -5.57510483 3.64761022
0.00112382 -0.00030848 -0.00014108
0.00902713 -0.01740011 -0.00542541
-10.50357262 -2.74091380 3.62762784
-0.00025846 -0.00001791 -0.00004645
0.01674667 0.01918859 -0.00296520
5.12250216 -2.59969423 8.41368867
-0.00075588 -0.00022694 -0.00001245
0.01493727 0.03665024 -0.01834904
4.80066563 -3.60670371 11.05210974
-0.00014484 0.00000864 -0.00045941
-0.00725171 0.00347557 0.01383029
-33.36257725 -1.76028994 -0.74426904
-0.00004580 0.00012429 0.00018486
-0.00296122 -0.00265392 0.00188039
-32.66779882 0.57900011 0.72093836
0.00051755 -0.00024902 0.00006078
0.00107522 0.00502406 -0.00429675
14.62830723 12.67261141 -15.87474786
-0.00014044 -0.00037476 0.00082167
-0.00383471 0.00149201 0.05272423
16.23890224 11.93530403 -13.48450069
0.00035740 -0.00009636 -0.00006291
0.04268630 -0.01147983 0.00894635
-8.74561404 7.11642802 1.49729930
-0.00050101 0.00074847 0.00036909
0.00800359 -0.00344759 0.00115193
-7.44416562 4.57166415 1.42141814
0.00030233 -0.00104911 -0.00046895
0.00225569 -0.00063424 -0.00830570
6.16815264 12.31207443 -6.85793064
0.00035102 0.00006250 -0.00002469
-0.00978093 -0.00056635 -0.00304989
8.85884661 13.69113088 -6.80639740
0.00014355 0.00037924 -0.00051628
-0.00993753 -0.01162024 0.02086909
8.47035159 8.87430896 -20.42489339
-0.00011095 -0.00006081 -0.00002381
0.00084796 -0.00934776 -0.02190532
10.12127907 11.12750211 -19.42473483
-0.00066570 0.00081349 -0.00106736
0.01340534 -0.00320035 -0.00512783
23.77890677 15.53045116 -2.60198919
-0.00069242 0.00039080 0.00032278
0.00385063 0.02509615 0.00140405
24.97345861 18.18562522 -2.33951627
0.00004845 -0.00006822 0.00044255
0.00085246 0.00821915 0.00012479
1.36236018 16.71240657 -21.24522531
0.00014415 0.00012225 -0.00035157
0.02659854 0.01266060 0.02792443
2.91246344 15.19521346 -19.09034751
0.00125783 -0.00014926 0.00023115
0.00598069 0.00225333 -0.00503440
12.81781680 -0.57583684 -6.76850696
-0.00073904 0.00050951 0.00039993
-0.00141447 -0.01705083 0.01231252
13.37868054 -1.31098118 -3.85759553
0.00020336 0.00037573 -0.00029407
-0.01807098 0.00842005 0.01436476
-17.23955706 -2.86455368 3.04152246
-0.00007345 0.00112580 -0.00124679
-0.03782259 -0.01099567 -0.00680728
-14.66917673 -2.60944839 3.61539311
0.00010442 0.00011965 0.00010319
0.01471544 0.00812682 -0.00659532
-16.15167351 -0.41339560 20.04322508
-0.00081389 -0.00059155 0.00052600
-0.00743095 0.00665952 0.00150579
-15.54205888 -3.08677524 19.41404770
-0.00022744 0.00002972 0.00015435
0.02124569 -0.02211770 0.00674963
-0.86479225 0.69361278 -5.16564320
0.00067379 -0.00006017 0.00042902
0.00491168 -0.01898947 0.00224235
-0.79886670 3.46721594 -5.00091196
0.00000328 0.00035916 -0.00010319
0.01410185 -0.00317683 0.00426168
23.36209465 -8.76604888 -9.23324333
0.00103615 -0.00040001 0.00020819
0.01074617 -0.00792531 -0.00128786
23.79486407 -5.80437814 -8.69304585
0.00123861 -0.00020223 -0.00038921
0.00188251 -0.00886484 0.00314478
0.41806195 -5.87104919 5.79174032
-0.00032632 -0.00046831 -0.00050834
-0.00892484 -0.01040864 0.00472175
0.07150042 -5.31231082 8.53682534
0.00068725 -0.00100139 0.00066110
-0.00068859 -0.00852598 0.00585483
-0.84897436 -2.97273711 -18.77596127
0.00087810 0.00013454 0.00000221
-0.01788918 0.03112414 -0.01692929
-3.00469638 -1.93000273 -20.56821960
-0.00036232 0.00067780 -0.00056475
-0.01052955 -0.00726844 -0.00610654
2.65160129 2.23070519 -11.00881647
-0.00001049 0.00020922 0.00073394
-0.00184854 0.01067184 -0.00388289
2.04969966 2.82721888 -8.04618752
0.00061510 -0.00011849 0.00033263
0.01248547 -0.01895679 -0.01678573
-2.49223633 16.71056871 12.45876087
-0.00018268 0.00015152 -0.00046383
0.03859348 -0.02235198 0.00945510
-3.48322207 19.30403495 13.38368920
0.00018473 0.00016037 0.00081441
0.00258417 -0.00625463 0.00724601
-4.72196804 6.33681984 -12.12961907
-0.00044886 -0.00032253 0.00138890
0.01500648 -0.02393034 0.03380626
-3.34537685 3.78233628 -12.51052826
-0.00110948 0.00043421 0.00021845
-0.01007232 0.01787680 0.04087166
-7.90576916 2.14766386 -7.44211724
0.00009910 -0.00020368 0.00024878
0.01171070 -0.00877204 0.02077371
-6.23475208 3.58953608 -9.48113215
0.00045781 -0.00030101 -0.00001258
-0.04235242 -0.01493765 0.01466211
2.40829042 28.29249015 7.03925267
0.00115182 -0.00000654 -0.00011115
0.00382743 0.01323478 -0.02809122
0.54900817 27.96324736 9.20289725
0.00037573 0.00072174 0.00046229
0.01882902 -0.00511638 -0.00744471
10.67652142 -7.43870120 -0.72960011
-0.00034706 -0.00022336 -0.00056873
-0.00563365 0.02228762 -0.01036492
8.69859510 -7.28205710 -2.84309550
-0.00013677 0.00039096 -0.00033764
0.00428824 0.00724229 0.00672900
-6.91550135 0.48771021 6.27298629
0.00016927 0.00070798 0.00000369
-0.02204425 -0.00231432 0.00224478
-9.44504967 -0.69773752 6.82425960
-0.00017525 0.00108744 -0.00026398
-0.00827924 -0.00502790 0.00953917
21.72454821 10.06205466 9.81742411
0.00006964 0.00013704 -0.00028096
0.01314440 0.00050383 0.01541450
21.02059635 12.42296732 8.18471970
0.00004466 -0.00051029 0.00018859
-0.01125369 -0.01684459 0.01543384
-1.62965344 -3.55517272 -26.51609054
0.00010956 -0.00050248 -0.00018450
0.02689787 -0.03380963 0.02221335
-4.12623510 -2.19209414 -26.77937588
-0.00044989 -0.00000228 -0.00002149
-0.01364292 0.00095902 0.00479660
-14.11072077 7.22546140 9.09031672
0.00072818 -0.00026142 0.00054202
0.00113232 -0.00070680 0.00076395
-15.31658825 7.17512259 6.53246888
-0.00081301 -0.00028414 0.00016598
0.00036641 0.00278791 -0.00372725
-11.18053826 7.16702981 -3.46715827
-0.00028547 0.00099670 0.00069656
-0.01747869 -0.00602344 0.00301415
-8.73818295 8.31453482 -3.73453786
0.00035571 -0.00011836 0.00013270
0.02227942 0.00965592 -0.00396575
-1.27524373 -17.40693970 23.42561015
0.00011478 0.00045609 -0.00031015
0.01026655 0.01633116 -0.00348859
-3.62584316 -15.83435790 24.29696451
0.00016519 0.00011423 -0.00072711
0.05558704 0.01705241 -0.02015815
-2.52826711 5.92172877 -8.13989084
0.00102906 0.00060632 -0.00020600
-0.00190802 0.00276911 0.01995431
-3.98171268 7.62349580 -6.25786630
-0.00131800 -0.00018961 0.00028430
0.00555980 -0.01382905 0.00709995
-21.20467648 30.49042398 3.03365518
-0.00017608 -0.00070357 0.00071803
-0.01386975 -0.01778483 -0.01694692
-21.31311105 31.76073686 5.53093378
0.00067269 -0.00172287 -0.00032574
0.01093243 -0.00448160 -0.00594217
7.07558194 -0.03177670 6.08912717
0.00028920 -0.00059753 0.00015080
0.00395688 -0.01352529 0.02476692
7.56020454 1.92414737 7.98414760
0.00050489 0.00042285 -0.00006675
0.00010217 -0.00295165 0.01537868
7.00596968 12.75775395 -14.04022836
0.00049599 -0.00025582 -0.00075021
-0.01310595 -0.00718070 0.00937431
4.37172840 11.88860159 -14.88064540
0.00105645 -0.00078960 0.00112213
-0.02718433 0.01218173 -0.02861632
14.51269835 3.77265763 -3.12101061
-0.00004626 -0.00021685 -0.00009377
-0.00420400 0.00231228 0.00227716
15.14168498 1.20288029 -1.89629755
-0.00008134 0.00005254 -0.00001898
-0.01185571 -0.03274544 -0.00292657
-2.61023450 13.35410210 -0.38069417
-0.00022207 -0.00051016 0.00032710
0.01289798 -0.00084900 -0.00330107
-5.23995058 12.86159359 0.44446845
0.00018219 -0.00012609 0.00074454
-0.01661096 -0.00084518 0.00590496
3.86981420 10.87395114 3.48711474
0.00015943 0.00021232 0.00010450
-0.02862749 -0.05270777 0.01175694
6.43999563 12.12003153 3.31402690
-0.00019973 -0.00054353 -0.00082877
-0.02579897 0.00058311 -0.00269693
25.19169124 -12.95764848 -8.38638129
-0.00036778 0.00094116 0.00056564
0.00298822 0.00592240 -0.01001234
26.26658156 -11.50828005 -10.89616997
-0.00004682 0.00001126 0.00001552
0.03356253 -0.00379337 -0.02515395
14.72803769 -4.04083204 -0.83180084
0.00040358 0.00059027 0.00079456
-0.00260719 0.00581416 0.00586316
17.14860948 -5.42353954 -0.78561444
0.00025965 -0.00015581 0.00032779
0.01656780 -0.03559035 -0.00419099
12.28588054 7.95492947 11.77600215
0.00089746 0.00025004 -0.00046333
0.00275638 0.00632712 -0.01949503
13.31795231 9.63969556 9.39329475
0.00065199 0.00023289 0.00107219
-0.00396478 0.00900411 0.00511619
-0.18361445 -14.32252617 17.17535883
-0.00043841 -0.00007275 0.00013779
0.01739022 -0.01015507 0.00048297
1.46627801 -12.22559128 18.25772373
-0.00052195 -0.00080761 -0.00023387
0.00932079 -0.00066831 0.00161925
-3.84086407 -2.29722598 -13.63121019
0.00041291 -0.00057218 0.00011560
0.00121640 -0.02643694 0.01764907
-3.22954042 -0.64538425 -15.92018895
-0.00083710 -0.00083703 0.00081699
-0.00858683 -0.00469597 0.01245337
14.03537091 -8.18414594 -10.40733831
0.00088924 0.00001445 0.00071668
0.01640118 0.00332021 -0.01343316
16.31168932 -6.50009818 -9.32364578
0.00099414 0.00051614 -0.00082137
0.00798579 0.02024509 -0.01034807
7.19957274 -5.67483918 9.10326143
-0.00082752 0.00028839 -0.00050131
-0.00584650 -0.01400849 0.00327961
9.28578906 -5.97150187 7.35605223
0.00037096 -0.00070916 -0.00008881
0.02233277 0.00722841 -0.02424834
-21.45266795 1.90145682 20.86590065
-0.00090669 -0.00000201 -0.00038652
0.00627878 0.01447252 0.02228721
-21.84928567 0.73601216 23.46247191
-0.00039235 0.00094111 0.00114023
-0.00408075 0.00090177 0.00872288
26.60491919 -3.02413825 -6.36024853
0.00045670 -0.00007642 -0.00045129
-0.00112495 0.00517701 0.00432362
25.12211627 -1.51272942 -8.37252506
0.00010904 -0.00008816 -0.00046397
0.00936614 -0.01356638 0.00591679
9.16262816 -15.79348510 -7.65209279
0.00035836 -0.00067754 -0.00003443
0.00023864 0.00086024 0.00248873
8.85977659 -12.80293417 -7.03716363
0.00066572 0.00005003 0.00037909
0.00512448 -0.01267100 -0.00255534
-5.83778577 -11.14773713 17.97969699
-0.00030665 0.00030580 0.00047285
0.01238144 0.01543623 0.01818299
-7.35493661 -11.33374129 15.59077657
0.00008647 0.00001646 -0.00013395
0.00677512 -0.00270802 -0.00010058
8.58166468 1.66746955 -29.39776775
-0.00078454 -0.00086199 0.00024589
0.02093791 -0.01891060 0.00363271
6.55604846 3.21755279 -30.39620079
-0.00061697 0.00032273 0.00098025
0.01565194 0.01097100 0.01525382
12.46368473 15.26601819 14.42691285
-0.00006262 0.00095415 0.00016772
0.01871152 -0.00291102 0.00787069
11.04460596 15.87997307 17.01040995
-0.00022183 -0.00039525 -0.00024940
0.01521543 0.01442175 0.04474994
29.42613713 4.86662195 -4.35246305
0.00037036 -0.00042425 0.00004330
-0.01568838 0.00515389 -0.00443173
26.85472256 6.50273507 -3.73895000
0.00031105 -0.00021960 -0.00023972
0.01798432 -0.00784548 0.00037751
-9.94667727 4.85976351 6.79969501
0.00002672 -0.00007017 -0.00023953
-0.00264077 0.00711404 -0.00070688
-8.69602973 13.28956417 2.59557680
-0.00005943 0.00006923 0.00000559
-0.00312140 -0.00130113 -0.00084312
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09580566
0.27983545
372.86671375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4401597078 (a.u.)
total exchange computation time: 2.6659588814 s
-154.3525014108
-931.37863629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4391761943 (a.u.)
total exchange computation time: 2.6647260189 s
-154.3614772554
Anderson extrapolation: theta=1.3619761596 (1.3619761596)
-931.37887211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.4377022829 (a.u.)
total exchange computation time: 2.6657919884 s
-154.3745868127
Anderson extrapolation: theta=0.0595345014 (0.0595345014)
-931.37901923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.956 s
total exchange = -52.4375140660 (a.u.)
total exchange computation time: 2.6656789780 s
-154.3760699330
Anderson extrapolation: theta=2.0043612363 (2.0000000000)
-931.37902702
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.859 s
total exchange = -52.4371148563 (a.u.)
total exchange computation time: 2.6631100178 s
-154.3791207459
Anderson extrapolation: theta=0.3016206465 (0.3016206465)
-931.37903650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.866 s
total exchange = -52.4369983367 (a.u.)
total exchange computation time: 2.6677610874 s
-154.3799376695
Anderson extrapolation: theta=1.3730383134 (1.3730383134)
-931.37903890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.773 s
total exchange = -52.4368700525 (a.u.)
total exchange computation time: 2.6656680107 s
-154.3807603962
Anderson extrapolation: theta=0.3652964116 (0.3652964116)
-931.37904150
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.779 s
total exchange = -52.4368554609 (a.u.)
total exchange computation time: 2.6660740376 s
-154.3807743141
Anderson extrapolation: theta=1.0166230269 (1.0166230269)
-931.37904238
-71.740659 23.420844 142.037316
559.136670 1031.503556 -412.447798
487.396011 1054.924400 -270.410482
1193.122873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1311627907
ExchangeOperator: bisection time: 3.503 s
total exchange = -52.4368651949 (a.u.)
total exchange computation time: 2.6666829586 s
679.85459796
-1085.80494415
89.82473195
-387.78596219
-175.03060145
79.43742448
551.60419304
0.00000000
-931.37904307
3.93495511 -30.77638814 -2.27852146
0.00009576 -0.00026873 0.00001082
0.01728714 -0.02672080 0.00057327
-11.59384733 -1.91711347 -9.21431619
0.00023274 0.00033221 -0.00011174
0.00675681 0.02102453 0.01168111
-37.46989048 2.47996066 0.05963874
0.00006127 -0.00012359 0.00026187
-0.01308287 -0.01881083 0.01499009
-11.66769602 -4.07791528 3.83576693
-0.00029348 -0.00009549 0.00009082
-0.01522740 -0.00776228 0.01163886
4.36300182 -3.91125468 9.30771013
-0.00033302 -0.00011005 -0.00029317
-0.01452813 -0.03747605 0.00678520
-31.98857158 -0.58530179 -0.49417098
-0.00045367 0.00057768 0.00039966
-0.01229135 -0.01591130 0.00007224
14.65589004 12.60685953 -13.87772255
-0.00062099 0.00001264 0.00018804
-0.02782844 0.00522897 -0.05691250
-7.69902390 6.00946403 2.53761672
-0.00002559 0.00024714 0.00019984
-0.00655180 -0.00431076 -0.00056934
7.57713239 12.58417229 -5.75874188
-0.00005449 -0.00015102 -0.00029474
0.00684588 0.00097767 -0.01126341
8.87012914 9.86359285 -18.99575221
-0.00011291 0.00005678 0.00018915
-0.00406979 0.00874608 0.02059069
23.37002674 17.31930065 -2.16127515
-0.00002183 -0.00010919 -0.00013924
-0.02508086 -0.01525473 -0.00096404
2.25684820 16.88803023 -19.50563124
-0.00020682 -0.00004638 -0.00039116
-0.02490972 -0.00982444 -0.01364764
14.00789530 -1.25101593 -5.52674970
0.00002033 0.00024143 -0.00034759
0.01776226 0.00033120 -0.02960666
-16.07994778 -1.50013177 3.18485423
0.00003040 0.00031727 0.00001933
0.02245264 -0.00112529 0.01300536
-16.80399381 -1.88533434 19.11806840
0.00051643 -0.00023278 -0.00044306
-0.01066153 0.01640369 -0.00559229
0.39636182 2.02281670 -4.98251899
0.00005715 -0.00013527 0.00016935
-0.01813436 0.03378529 -0.00087797
22.57054725 -7.17030356 -8.89093275
0.00005186 0.00015700 0.00014590
-0.01025039 0.01393507 0.00033100
-0.62856231 -6.40976931 7.24676229
-0.00018787 0.00014802 -0.00002660
0.01322830 0.01236555 -0.01156193
-1.78459595 -1.39317174 -19.33418319
0.00012740 0.00000980 -0.00004414
0.02275307 -0.02835218 0.02253012
3.25167486 2.05945817 -9.30646911
-0.00017158 -0.00029899 -0.00007382
-0.00150140 0.00203975 0.02984956
-3.81632821 17.87586373 12.29354044
-0.00015390 -0.00032243 0.00008826
-0.03249028 0.03378716 -0.01566833
-3.84764399 4.97548627 -11.05921226
-0.00009632 0.00000501 0.00002755
0.00132702 0.00531175 -0.07928848
-8.01898548 3.02397125 -8.97805180
0.00013627 -0.00030499 -0.00001056
0.02900835 0.02612907 -0.03260525
2.20881532 27.40456673 8.56574305
0.00029084 0.00011948 0.00019406
-0.02831073 -0.00905059 0.03318592
9.85527052 -6.18685715 -1.89167976
-0.00025512 -0.00010031 0.00019305
0.00154123 -0.02638516 0.00567646
-8.76872013 0.74727846 5.98888881
0.00005642 0.00002238 0.00018010
0.02651483 0.01030696 -0.01281451
20.35901210 10.77802715 8.89325345
-0.00004917 0.00018970 -0.00003760
-0.00222482 0.01883305 -0.02866553
-2.37216059 -2.13799466 -27.22393337
0.00061456 0.00009311 -0.00023103
-0.02463140 0.03386817 -0.02553191
-14.32161888 6.14059633 7.64420538
-0.00004903 0.00015590 0.00028808
0.00391436 -0.00634650 0.00205342
-9.62662166 7.27562438 -2.54842403
0.00030688 0.00009667 0.00017943
-0.01724634 -0.01057245 0.00998046
-1.74458249 -15.59045749 23.68143473
-0.00014831 0.00031349 -0.00041525
-0.06089185 -0.02425763 0.02289071
-2.63945017 6.30581612 -6.30153295
-0.00003628 -0.00006884 0.00016061
-0.01365689 0.01617684 -0.02375166
-20.06960024 31.04681903 4.33060363
0.00006705 -0.00018348 -0.00029776
-0.01853888 -0.01096277 0.03012009
7.60116721 0.08217503 7.92869972
0.00000056 0.00026553 -0.00047943
-0.00626223 0.02122372 -0.03531139
5.63783913 11.47516005 -13.74508374
0.00011664 0.00033599 0.00025673
0.04872777 -0.01453375 0.03663964
15.58086042 2.89126471 -1.94559680
-0.00025485 -0.00035280 0.00011458
0.02709958 0.04558580 0.00961924
-4.30882587 13.52657171 -0.96536769
-0.00024842 -0.00022367 0.00019804
0.00781818 -0.00618304 -0.00743833
4.57085967 12.43381541 3.16967317
0.00013714 -0.00025032 -0.00031077
0.05938814 0.07601486 -0.02224445
24.96374064 -11.68872579 -9.71145221
0.00030442 0.00014617 -0.00034372
-0.04191492 -0.00502219 0.03777432
16.49046414 -3.80520448 -0.47700786
0.00012370 0.00020735 -0.00022743
-0.00243081 0.03247289 0.00142713
12.97010005 7.95517725 10.02689794
0.00007065 0.00005619 0.00027640
0.00489200 -0.01635871 0.00401153
1.60773599 -13.94968365 17.66323380
-0.00000794 -0.00013714 -0.00000255
-0.01593099 0.00609970 -0.00669831
-4.24677161 -0.72060239 -14.34338159
0.00043345 0.00005258 0.00018103
0.01173791 0.02858441 -0.02576985
15.12118987 -7.82848640 -8.97806638
-0.00011058 0.00039286 0.00013190
-0.02305951 -0.02217026 0.02281921
8.57364151 -6.87961196 8.72248801
-0.00034351 -0.00045237 0.00033706
-0.01047728 0.01234060 0.01294368
-21.26507525 2.31305982 22.72254383
0.00017757 -0.00005607 0.00012393
-0.00069095 -0.01068952 -0.03681960
25.74431800 -3.24072201 -7.95934899
-0.00018351 -0.00008295 -0.00024284
-0.00309552 0.01776324 -0.00838071
9.83094149 -14.10622200 -7.93578999
0.00005807 0.00024404 -0.00044711
0.00194942 0.01220174 -0.00074385
-6.57340180 -12.37703216 16.89903393
-0.00040277 -0.00039044 0.00020189
-0.00301334 0.00644211 -0.02423601
8.15987079 3.40735452 -29.36749614
-0.00031638 -0.00021841 0.00006764
-0.04090874 -0.00794987 -0.02320291
10.85539339 15.41390233 15.33435386
0.00000427 -0.00020512 0.00018677
-0.01448510 0.00472528 -0.06035016
28.60013412 6.05918031 -3.20505067
0.00009100 0.00016861 -0.00031798
-0.00609657 0.01255091 0.00234998
5.49257335 -31.19306774 -3.22474268
0.00003350 -0.00014933 0.00017071
-0.01359536 -0.00106781 -0.00034328
4.05562105 -31.67522197 -0.67343249
0.00073499 0.00042958 0.00006761
0.00294751 0.00621394 0.00081154
-11.64911288 -3.63195491 -8.70803004
0.00007331 0.00033526 0.00011340
-0.00132270 -0.02209504 0.00963865
-12.64008819 -1.79801154 -10.64385217
0.00009956 0.00116292 -0.00012799
-0.01292387 0.00619914 -0.02349596
-39.06531863 2.04497713 0.92475172
-0.00054567 -0.00034905 0.00018554
0.01672613 0.00498852 -0.00701372
-37.84327381 4.00027688 -0.90010063
-0.00050219 0.00047075 -0.00045685
-0.00252528 0.00724942 -0.00553764
-10.64207959 -5.58026527 3.64532782
0.00115153 -0.00036797 -0.00016160
0.00453674 -0.01172138 -0.00462277
-10.50693631 -2.74059451 3.62684021
-0.00019224 0.00005943 -0.00005807
0.01566733 0.01867198 -0.00272329
5.11162171 -2.60197522 8.41293967
-0.00069244 -0.00007229 -0.00009152
0.01611827 0.03905176 -0.02035678
4.79827088 -3.60646757 11.04564243
-0.00017439 0.00002260 -0.00040156
-0.00721462 0.00335650 0.01448426
-33.36335502 -1.75850693 -0.74143859
-0.00005776 0.00011470 0.00019331
-0.00289284 -0.00204214 0.00226009
-32.66000266 0.57541884 0.72171838
0.00051445 -0.00021742 0.00005520
-0.00258996 0.01044217 0.00156654
14.62608311 12.66703570 -15.86080716
-0.00015765 -0.00036780 0.00103107
-0.00459059 0.00191720 0.04977790
16.24557123 11.93350689 -13.48517015
0.00051545 -0.00013611 -0.00002977
0.03468123 -0.00797921 0.00727409
-8.75288396 7.12754940 1.50287094
-0.00046415 0.00072868 0.00037628
0.01003830 -0.00623762 0.00236939
-7.43956159 4.55590813 1.41412936
0.00030734 -0.00103350 -0.00049135
0.00019910 0.00827437 -0.00265896
6.17311823 12.31299454 -6.85839443
0.00030468 0.00005870 -0.00004192
-0.01290315 -0.00129139 -0.00538573
8.86069540 13.69646339 -6.81350210
0.00010119 0.00032933 -0.00042910
-0.01079757 -0.01281011 0.02180624
8.46871333 8.87311030 -20.42592172
-0.00010714 -0.00009704 -0.00010908
0.00101486 -0.00838391 -0.01983475
10.11170429 11.13960639 -19.44090229
-0.00061518 0.00079605 -0.00108550
0.01132521 -0.00533409 -0.00375620
23.76863854 15.53708222 -2.59710452
-0.00067416 0.00048522 0.00032593
0.00508785 0.02112331 0.00013820
24.97421143 18.18485372 -2.33287413
0.00005173 -0.00003555 0.00044216
0.00075636 0.00777607 -0.00031786
1.36533750 16.71462830 -21.24964315
0.00025159 0.00017200 -0.00023862
0.02599271 0.01169052 0.02736443
2.93151418 15.19304359 -19.08703453
0.00127759 -0.00013213 0.00020704
0.00369120 0.00613499 -0.00676848
12.80668778 -0.56871670 -6.76213079
-0.00074342 0.00043944 0.00044949
-0.00072701 -0.01724775 0.01194859
13.38117711 -1.30508728 -3.86156639
0.00013044 0.00040949 -0.00023485
-0.01762234 0.00810823 0.01462496
-17.24181775 -2.84800364 3.02261196
-0.00023082 0.00107583 -0.00127486
-0.03921355 -0.01346625 -0.00692969
-14.66715957 -2.60740465 3.61673889
0.00016098 0.00015362 0.00007552
0.01297403 0.00850257 -0.00694878
-16.16410954 -0.42206479 20.05116128
-0.00084218 -0.00056164 0.00053346
-0.00642007 0.00797950 0.00214341
-15.54481939 -3.08700718 19.41656976
-0.00013310 -0.00006748 0.00018399
0.02493104 -0.02546062 0.00776095
-0.85453485 0.69212831 -5.15913913
0.00068865 -0.00014188 0.00043721
0.00236106 -0.02100828 0.00176295
-0.79838536 3.47250599 -5.00232928
0.00006342 0.00034122 -0.00008597
0.01533522 -0.00560398 0.00417011
23.37796621 -8.77229183 -9.23015991
0.00107232 -0.00042112 0.00020516
0.00695957 -0.00241160 -0.00019504
23.81350088 -5.80768330 -8.69878770
0.00124028 -0.00024128 -0.00037638
-0.00106353 -0.01024709 0.00313929
0.41289373 -5.87839278 5.78425992
-0.00036319 -0.00050978 -0.00048647
-0.00912744 -0.00988926 0.00598214
0.08178814 -5.32759295 8.54692131
0.00068444 -0.00103677 0.00068163
-0.00068818 -0.00879234 0.00419123
-0.83635107 -2.96976532 -18.77644684
0.00080232 0.00026266 -0.00006887
-0.01920272 0.03159154 -0.01786598
-3.01045390 -1.92005844 -20.57687798
-0.00039873 0.00064856 -0.00058367
-0.00728920 -0.00704363 -0.00315617
2.65138730 2.23417044 -10.99792638
-0.00002230 0.00025416 0.00070622
-0.00393086 0.01133136 -0.00968664
2.05930873 2.82486057 -8.04171236
0.00066400 -0.00019523 0.00026490
0.01145235 -0.01860773 -0.01637080
-2.49379397 16.71215665 12.45209310
-0.00002007 0.00005665 -0.00042483
0.04100508 -0.02409017 0.00963749
-3.48037194 19.30624877 13.39612735
0.00019284 0.00012446 0.00083633
0.00138451 -0.01132110 0.00348344
-4.72824103 6.33124862 -12.10774960
-0.00039128 -0.00041386 0.00152113
0.01317768 -0.02077507 0.03092168
-3.36232767 3.78939719 -12.50599907
-0.00114756 0.00050252 0.00037981
-0.00856711 0.01556443 0.03811716
-7.90392383 2.14433992 -7.43774903
0.00014680 -0.00023768 0.00033015
0.01163970 -0.00787130 0.01906004
-6.22918279 3.58456326 -9.48087148
0.00028285 -0.00036252 0.00004806
-0.04329133 -0.01517429 0.01501909
2.42568504 28.29279760 7.03672468
0.00116565 0.00004429 -0.00021955
0.00294041 0.01164601 -0.02497290
0.55522115 27.97391662 9.20960349
0.00045472 0.00070036 0.00042979
0.01983545 -0.00534556 -0.00846308
10.67114287 -7.44136870 -0.73844868
-0.00036784 -0.00013570 -0.00060742
-0.00453532 0.02062514 -0.00857272
8.69667494 -7.27597074 -2.84795391
-0.00012036 0.00041946 -0.00031066
0.00374311 0.00670786 0.00647886
-6.91363778 0.49825905 6.27311036
0.00007841 0.00069699 0.00001347
-0.02243449 -0.00306892 0.00254531
-9.44793216 -0.68157998 6.82059227
-0.00021417 0.00105326 -0.00021712
-0.01077353 -0.01170607 0.01339715
21.72599566 10.06412577 9.81368212
0.00012270 0.00013870 -0.00021794
0.01282894 0.00030681 0.01543204
21.02092135 12.41479687 8.18802147
0.00000070 -0.00057209 0.00024811
-0.01026577 -0.01341024 0.01370383
-1.62718574 -3.56374590 -26.51817734
0.00021626 -0.00063492 -0.00009684
0.02532986 -0.03102458 0.02069485
-4.13340148 -2.19209892 -26.77955129
-0.00048764 0.00000236 -0.00000636
-0.00483485 0.00131168 0.00260917
-14.09976331 7.22151841 9.09847050
0.00073163 -0.00026357 0.00054335
0.00055394 -0.00034503 -0.00011724
-15.32877223 7.17094597 6.53484442
-0.00080863 -0.00027415 0.00015508
0.00178063 0.00210071 -0.00160862
-11.18535590 7.18179569 -3.45661744
-0.00035328 0.00097251 0.00071070
-0.01571646 -0.00581466 0.00390616
-8.73216459 8.31305527 -3.73266888
0.00044646 -0.00007874 0.00011577
0.02214440 0.00974030 -0.00432229
-1.27320737 -17.39959784 23.42085099
0.00015718 0.00052145 -0.00032456
0.01048873 0.01566296 -0.00356719
-3.62166199 -15.83212196 24.28544021
0.00038832 0.00018382 -0.00080785
0.05363555 0.01701467 -0.01936485
-2.51288968 5.93090846 -8.14236932
0.00101986 0.00061825 -0.00012105
-0.00259687 0.00306939 0.02162573
-4.00131225 7.62022783 -6.25338422
-0.00128791 -0.00025240 0.00031254
0.00916763 -0.01690501 0.00672408
-21.20774270 30.47932542 3.04390633
-0.00023533 -0.00077814 0.00064303
-0.01513280 -0.01871670 -0.01976466
-21.30268574 31.73475641 5.52586555
0.00070895 -0.00173451 -0.00034026
0.00681700 -0.00121650 -0.00116245
7.08004124 -0.04115409 6.09214815
0.00030333 -0.00065048 0.00024596
0.00295627 -0.01239392 0.02181261
7.56778099 1.93039963 7.98361762
0.00050460 0.00040778 -0.00000596
-0.00024213 -0.00442273 0.01437885
7.01300789 12.75369665 -14.05119419
0.00044223 -0.00028459 -0.00071067
-0.01320800 -0.00690201 0.00997741
4.38674221 11.87713082 -14.86469038
0.00092276 -0.00073334 0.00098522
-0.03825855 0.01535907 -0.03840120
14.51187569 3.76947581 -3.12234745
-0.00006277 -0.00020795 -0.00008345
-0.00387882 0.00204034 0.00277786
15.14010166 1.20266503 -1.89667189
-0.00013180 -0.00008882 -0.00003072
-0.01284838 -0.03645106 -0.00281940
-2.61317034 13.34642363 -0.37588885
-0.00017041 -0.00051321 0.00031225
0.01239171 -0.00064349 -0.00396795
-5.23772672 12.85967630 0.45581752
0.00011463 -0.00012837 0.00076611
-0.01645946 -0.00027104 0.00465509
3.87132843 10.87552086 3.48904254
0.00003981 -0.00000672 0.00015342
-0.02992996 -0.05451737 0.01218697
6.43620908 12.11189648 3.30151267
-0.00030064 -0.00054120 -0.00083878
-0.02359618 0.00055532 -0.00220000
25.18626609 -12.94334965 -8.37820347
-0.00035451 0.00096497 0.00052417
0.00350600 0.00573355 -0.01029038
26.26690777 -11.50822746 -10.89670801
0.00009711 -0.00000404 -0.00009166
0.03689045 -0.00369292 -0.02730805
14.73401148 -4.03179982 -0.81970272
0.00038476 0.00061222 0.00081671
-0.00660265 0.00492885 0.00497826
17.15301187 -5.42696729 -0.78082597
0.00032382 -0.00029544 0.00031181
0.01484711 -0.03275976 -0.00363410
12.29942696 7.95887391 11.76845482
0.00090382 0.00027466 -0.00053066
0.00035407 0.00572414 -0.01346313
13.32761063 9.64346482 9.40953438
0.00063574 0.00026904 0.00109159
-0.00398945 0.00869096 0.00437941
-0.18965778 -14.32392865 17.17744053
-0.00036409 -0.00011465 0.00014017
0.01899412 -0.01035419 0.00067856
1.45873431 -12.23772590 18.25426531
-0.00048347 -0.00079982 -0.00022316
0.00951589 0.00448065 0.00362307
-3.83463318 -2.30661877 -13.62893541
0.00041475 -0.00067068 0.00018424
-0.00031493 -0.02177828 0.01595194
-3.24236006 -0.65808360 -15.90755250
-0.00086262 -0.00085405 0.00085363
-0.00390412 -0.00363785 0.00548419
14.04921203 -8.18382745 -10.39699980
0.00094630 0.00002460 0.00065037
0.01153339 0.00164997 -0.01902197
16.32684614 -6.49173573 -9.33628336
0.00101751 0.00058865 -0.00085973
0.00345512 0.01525164 -0.00843204
7.18698073 -5.67094257 9.09584221
-0.00084531 0.00022587 -0.00048980
-0.00286063 -0.01659851 0.00235497
9.29203774 -5.98191769 7.35397709
0.00045815 -0.00068425 -0.00017988
0.02035164 0.00496159 -0.02033261
-21.46607584 1.90187017 20.86078573
-0.00087986 0.00005684 -0.00028889
0.00685374 0.01433535 0.02550758
-21.85529589 0.75015638 23.47984266
-0.00041023 0.00094083 0.00117564
-0.00467399 -0.00103644 0.00861020
26.61173516 -3.02512589 -6.36688544
0.00045082 -0.00005546 -0.00043537
-0.00174942 0.00508032 0.00347270
25.12403887 -1.51446750 -8.37930331
0.00014667 -0.00014266 -0.00043969
0.00905485 -0.01311126 0.00596829
9.16801093 -15.80362186 -7.65253291
0.00036334 -0.00066291 -0.00002573
0.00219797 0.00630205 0.00176560
8.86991941 -12.80257207 -7.03155561
0.00068533 -0.00000124 0.00036903
0.00447643 -0.01242350 -0.00236803
-5.84200610 -11.14267705 17.98734687
-0.00026089 0.00036001 0.00053996
0.01001895 0.01109769 0.01466814
-7.35343195 -11.33357741 15.58876430
0.00011506 0.00000316 -0.00013221
0.00721838 -0.00380105 0.00094896
8.57053815 1.65396024 -29.39396804
-0.00070175 -0.00092982 0.00026038
0.01958858 -0.01429239 0.00345828
6.54727358 3.22272994 -30.38102960
-0.00055497 0.00036656 0.00103987
0.01469440 0.01048183 0.01393063
12.46331876 15.28024128 14.42966981
0.00001524 0.00094142 0.00019829
0.01940202 -0.00332354 0.00709499
11.04174471 15.87448630 17.00804021
-0.00015907 -0.00033406 -0.00005877
0.01550896 0.01552773 0.04856542
29.43121172 4.86041608 -4.35194929
0.00030463 -0.00040076 0.00002706
-0.01648378 0.00634663 -0.00352174
26.85993933 6.49920064 -3.74253421
0.00038040 -0.00025051 -0.00023951
0.01596483 -0.00728638 -0.00027411
-9.94628359 4.85873004 6.79610021
0.00002576 -0.00006758 -0.00023978
-0.00269258 0.00736740 -0.00072028
-8.69692660 13.29060030 2.59565923
-0.00006017 0.00006894 0.00000539
-0.00329072 -0.00112414 -0.00088789
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09580184
0.28324123
377.40473787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.236 s
total exchange = -52.4384762675 (a.u.)
total exchange computation time: 2.5817539692 s
-154.3505962291
-931.38288760
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.4375310312 (a.u.)
total exchange computation time: 2.5827438831 s
-154.3593890693
Anderson extrapolation: theta=1.3496065991 (1.3496065991)
-931.38311793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.236 s
total exchange = -52.4361271870 (a.u.)
total exchange computation time: 2.5839030743 s
-154.3721711212
Anderson extrapolation: theta=0.0543550289 (0.0543550289)
-931.38325779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.4359530080 (a.u.)
total exchange computation time: 2.5832099915 s
-154.3736041975
Anderson extrapolation: theta=2.0428841412 (2.0000000000)
-931.38326360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.231 s
total exchange = -52.4355807255 (a.u.)
total exchange computation time: 2.5832529068 s
-154.3765892831
Anderson extrapolation: theta=0.2654634804 (0.2654634804)
-931.38326995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.4354807851 (a.u.)
total exchange computation time: 2.5838551521 s
-154.3773237052
Anderson extrapolation: theta=1.7763839488 (1.7763839488)
-931.38327130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.4353340024 (a.u.)
total exchange computation time: 2.5842709541 s
-154.3783286391
Anderson extrapolation: theta=0.3299466081 (0.3299466081)
-931.38327284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.231 s
total exchange = -52.4353170125 (a.u.)
total exchange computation time: 2.5835859776 s
-154.3783697604
Anderson extrapolation: theta=1.2061545217 (1.2061545217)
-931.38327329
-71.702310 23.408304 142.038193
559.170518 1031.500141 -412.400880
487.468207 1054.908445 -270.362687
1193.127429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 3.138 s
total exchange = -52.4353204220 (a.u.)
total exchange computation time: 2.5836031437 s
679.82947523
-1085.74248442
89.82194791
-387.83022168
-175.02667026
79.40298729
551.60419304
0.00000000
-931.38327363
3.93645819 -30.78052212 -2.27835700
0.00010446 -0.00028212 0.00001090
0.01656200 -0.02534858 -0.00026477
-11.59033017 -1.91204917 -9.21594727
0.00023601 0.00034293 -0.00010594
0.00595983 0.02065398 0.01088436
-37.46902185 2.47803432 0.06362454
0.00005344 -0.00013193 0.00026893
-0.01738570 -0.01362237 0.01249872
-11.67215696 -4.07937762 3.83717416
-0.00029970 -0.00010063 0.00009651
-0.00896591 -0.01222553 0.01048639
4.35795052 -3.91305004 9.30333873
-0.00034051 -0.00012951 -0.00028953
-0.01460907 -0.03819575 0.00737246
-31.99542401 -0.57669789 -0.48817576
-0.00045905 0.00056785 0.00039801
-0.00862908 -0.02232764 -0.00649481
14.64646792 12.60706929 -13.87512151
-0.00063270 0.00001423 0.00016030
-0.01771695 0.00093786 -0.05094417
-7.69943297 6.01315451 2.54061209
-0.00002892 0.00024347 0.00019794
-0.00639344 -0.00995757 -0.00679258
7.57634148 12.58191073 -5.76320648
-0.00005002 -0.00015011 -0.00030012
0.01052511 0.00255093 -0.00965905
8.86841985 9.86447830 -18.99283554
-0.00011448 0.00006147 0.00019865
-0.00205472 0.00946908 0.01637246
23.36960253 17.31760401 -2.16336743
-0.00003491 -0.00011572 -0.00013942
-0.02578308 -0.01013517 0.00026548
2.25364985 16.88729661 -19.51155123
-0.00021884 -0.00005219 -0.00039738
-0.02183368 -0.01277201 -0.01056420
14.00826879 -1.24739315 -5.53207771
0.00002913 0.00024167 -0.00036244
0.01643675 0.00059829 -0.02813131
-16.07940523 -1.49537706 3.18519437
0.00004248 0.00031684 0.00002613
0.02453066 -0.00054405 0.01342984
-16.79628855 -1.88876274 19.11140086
0.00051003 -0.00022402 -0.00044625
-0.01419886 0.01764067 -0.00679096
0.39714912 2.02091794 -4.97998209
0.00004820 -0.00011686 0.00016905
-0.01665154 0.03782657 -0.00031335
22.57128565 -7.16789478 -8.88874298
0.00004823 0.00016304 0.00014576
-0.00386907 0.00955866 -0.00088715
-0.63132932 -6.40750125 7.24631872
-0.00018106 0.00015432 -0.00003237
0.01325843 0.01211275 -0.01087572
-1.78259713 -1.39313411 -19.33475845
0.00013844 -0.00000480 -0.00003323
0.02016156 -0.02840880 0.01991900
3.24909539 2.05498117 -9.30746123
-0.00017151 -0.00029828 -0.00005727
0.00175049 0.00072535 0.03449464
-3.81876207 17.87115760 12.29480392
-0.00017048 -0.00030380 0.00008110
-0.03197500 0.03864581 -0.01219291
-3.84908365 4.97558195 -11.05910485
-0.00009543 0.00000752 -0.00001143
0.00213726 0.00445106 -0.07229010
-8.01682954 3.01949720 -8.97833603
0.00015124 -0.00029191 -0.00002669
0.02921247 0.02472428 -0.03011455
2.21306876 27.40632395 8.56878197
0.00027647 0.00011535 0.00021028
-0.02758690 -0.00697340 0.02987985
9.85144960 -6.18846361 -1.88876208
-0.00025455 -0.00011316 0.00019551
0.00070449 -0.02357347 0.00387848
-8.76777150 0.74765394 5.99154088
0.00007064 0.00002946 0.00017249
0.02877634 0.01720554 -0.01679650
20.35826596 10.78094529 8.89257894
-0.00005046 0.00019831 -0.00005172
-0.00277336 0.01463654 -0.02626632
-2.36303716 -2.13646744 -27.22749736
0.00060030 0.00010928 -0.00024308
-0.03082521 0.02903578 -0.02132726
-14.32233917 6.14291040 7.64853449
-0.00004718 0.00015273 0.00028884
0.00326839 -0.00600099 0.00089769
-9.62208506 7.27703366 -2.54569406
0.00029748 0.00009119 0.00018434
-0.01929898 -0.01075040 0.00910821
-1.74704201 -15.58584875 23.67529435
-0.00017886 0.00030128 -0.00040369
-0.05792258 -0.02322251 0.02206266
-2.64004698 6.30484586 -6.29921534
-0.00004396 -0.00005989 0.00014824
-0.01623907 0.01863291 -0.02437175
-20.06866603 31.04402462 4.32625344
0.00005890 -0.00018977 -0.00028310
-0.01313236 -0.01351005 0.02687103
7.60115140 0.08623980 7.92137202
-0.00000228 0.00027654 -0.00049633
-0.00475594 0.02160457 -0.03037759
5.63977674 11.48014378 -13.74109147
0.00014401 0.00032765 0.00027763
0.05768739 -0.01787614 0.04464398
15.57714219 2.88614850 -1.94384093
-0.00024085 -0.00032874 0.00011944
0.02734802 0.04800541 0.00925729
-4.31252202 13.52319277 -0.96242572
-0.00024429 -0.00022706 0.00019479
0.00825356 -0.00697036 -0.00522486
4.57314578 12.43035380 3.16492580
0.00016694 -0.00021128 -0.00032230
0.05651400 0.07580115 -0.02260019
24.96814529 -11.68655263 -9.71646224
0.00028220 0.00014369 -0.00032396
-0.04449230 -0.00459900 0.03906252
16.49231026 -3.80196898 -0.48041383
0.00012400 0.00022325 -0.00022670
0.00359689 0.02936300 0.00141633
12.97117862 7.95595706 10.03105934
0.00007385 0.00004803 0.00027683
0.00756008 -0.01539022 -0.00233740
1.60755550 -13.95171727 17.66316974
-0.00001649 -0.00013527 -0.00000657
-0.01731963 0.00119730 -0.00892831
-4.24022456 -0.71970348 -14.34076553
0.00043861 0.00006563 0.00017032
0.00833019 0.02219492 -0.01587390
15.11944216 -7.82267897 -8.97599978
-0.00012007 0.00038325 0.00014469
-0.01382878 -0.01522910 0.02690161
8.56844843 -6.88634996 8.72759390
-0.00034892 -0.00044468 0.00034275
-0.01056981 0.01759091 0.00916740
-21.26241430 2.31217754 22.72426080
0.00017723 -0.00006106 0.00010439
-0.00066230 -0.00870388 -0.03916898
25.74155337 -3.24189771 -7.96302390
-0.00018476 -0.00007399 -0.00024686
-0.00175063 0.01709002 -0.00726560
9.83182010 -14.10251437 -7.94249951
0.00005872 0.00024882 -0.00044736
0.00055922 0.00638579 -0.00021186
-6.57945499 -12.38286389 16.90196885
-0.00040362 -0.00038564 0.00019011
-0.00028136 0.01221119 -0.02157771
8.15496736 3.40404771 -29.36657103
-0.00033659 -0.00022362 0.00005614
-0.03769330 -0.01232428 -0.02152756
10.85540162 15.41084368 15.33692266
-0.00000323 -0.00020267 0.00015546
-0.01470417 0.00480530 -0.06140719
28.60147554 6.06175790 -3.20981131
0.00008869 0.00017456 -0.00031670
-0.00286633 0.01058406 0.00264029
5.49265921 -31.19534048 -3.22219260
-0.00002034 -0.00015408 0.00016778
-0.01275978 -0.00125615 -0.00108774
4.06673615 -31.66858787 -0.67239347
0.00074643 0.00045296 0.00007418
0.00265510 0.00523288 0.00240293
-11.64805371 -3.62760304 -8.70603368
0.00006695 0.00024708 0.00015074
-0.00179013 -0.02107247 0.00863764
-12.63899089 -1.78037778 -10.64649195
0.00004895 0.00118668 -0.00022058
-0.01184925 0.00543024 -0.02182778
-39.07299108 2.03989422 0.92731996
-0.00047176 -0.00032684 0.00015408
0.01944898 0.00588222 -0.00838745
-37.85088403 4.00756031 -0.90712313
-0.00050949 0.00048893 -0.00047220
-0.00104641 0.00164935 -0.00197466
-10.62466759 -5.58614407 3.64276211
0.00116083 -0.00040444 -0.00017887
0.00001698 -0.00612889 -0.00383164
-10.50933981 -2.73913089 3.62588569
-0.00013161 0.00013313 -0.00006847
0.01401106 0.01740388 -0.00236625
5.10172908 -2.60186287 8.41094309
-0.00062589 0.00008913 -0.00017654
0.01645644 0.03996359 -0.02126141
4.79543398 -3.60602572 11.04006281
-0.00020389 0.00003599 -0.00034186
-0.00722812 0.00319655 0.01473945
-33.36431008 -1.75684907 -0.73846962
-0.00006940 0.00010769 0.00020339
-0.00280599 -0.00138926 0.00267163
-32.65236522 0.57247752 0.72259440
0.00049636 -0.00016348 0.00007394
-0.00626750 0.01596112 0.00760490
14.62357766 12.66157749 -15.84381576
-0.00017770 -0.00035920 0.00122649
-0.00522351 0.00229324 0.04588108
16.25436570 11.93122074 -13.48539382
0.00063877 -0.00016083 -0.00000374
0.02568390 -0.00412107 0.00546960
-8.75953866 7.13828849 1.50858780
-0.00041946 0.00069805 0.00038806
0.01183988 -0.00875916 0.00339494
-7.43494536 4.54065923 1.40667762
0.00030429 -0.00098310 -0.00049184
-0.00169296 0.01639671 0.00241822
6.17729304 12.31383551 -6.85918830
0.00024623 0.00005211 -0.00006831
-0.01570869 -0.00193674 -0.00753131
8.86188245 13.70101081 -6.81927038
0.00005576 0.00027497 -0.00033869
-0.01144218 -0.01380213 0.02244745
8.46713726 8.87139783 -20.42816565
-0.00010228 -0.00012848 -0.00018460
0.00136540 -0.00700719 -0.01713278
10.10282359 11.15138375 -19.45729995
-0.00057334 0.00076965 -0.00109781
0.00915789 -0.00759237 -0.00226645
23.75868212 15.54500784 -2.59221138
-0.00065068 0.00056194 0.00032366
0.00640259 0.01643171 -0.00124822
24.97501060 18.18455879 -2.32625148
0.00005415 -0.00000486 0.00043997
0.00042572 0.00724557 -0.00075366
1.36990781 16.71756650 -21.25238393
0.00035585 0.00021758 -0.00012909
0.02504284 0.01062471 0.02625376
2.95079114 15.19124970 -19.08413636
0.00128807 -0.00009969 0.00017593
0.00144101 0.00974277 -0.00845777
12.79551421 -0.56265362 -6.75502233
-0.00074542 0.00036885 0.00049693
-0.00025052 -0.01730710 0.01127315
13.38259369 -1.29869647 -3.86464095
0.00006006 0.00044197 -0.00017619
-0.01682867 0.00779141 0.01408858
-17.24648168 -2.83227890 3.00327677
-0.00039162 0.00101789 -0.00130314
-0.03949770 -0.01489545 -0.00691446
-14.66434728 -2.60483982 3.61765880
0.00021013 0.00018892 0.00004633
0.01108246 0.00877768 -0.00733972
-16.17693904 -0.43024494 20.05922884
-0.00086649 -0.00052683 0.00054334
-0.00547958 0.00906368 0.00269390
-15.54605197 -3.08879950 19.41956746
-0.00002582 -0.00017626 0.00021744
0.02758565 -0.02779246 0.00861137
-0.84413275 0.68935632 -5.15252702
0.00069350 -0.00023119 0.00044355
0.00001127 -0.02270671 0.00134017
-0.79696418 3.47745259 -5.00349102
0.00012785 0.00031398 -0.00006915
0.01620490 -0.00773306 0.00406483
23.39426429 -8.77868257 -9.22708845
0.00109297 -0.00042011 0.00020648
0.00315038 0.00290718 0.00084031
23.83207250 -5.81161646 -8.70433716
0.00123012 -0.00028549 -0.00036348
-0.00391279 -0.01139479 0.00317454
0.40716613 -5.88634244 5.77714613
-0.00040047 -0.00054885 -0.00045993
-0.00912029 -0.00923948 0.00701037
0.09203368 -5.34341393 8.55727414
0.00068159 -0.00107321 0.00069519
-0.00070854 -0.00904484 0.00244896
-0.82490464 -2.96485741 -18.77802735
0.00072219 0.00039108 -0.00014306
-0.02002471 0.03127459 -0.01845172
-3.01665814 -1.91054584 -20.58572979
-0.00042154 0.00062042 -0.00059017
-0.00387862 -0.00673328 -0.00002651
2.65093240 2.23833014 -10.98762996
-0.00004240 0.00030183 0.00065540
-0.00590836 0.01200276 -0.01518891
2.06961967 2.82136188 -8.03824051
0.00070790 -0.00026995 0.00019976
0.01003813 -0.01796586 -0.01551467
-2.49283856 16.71226819 12.44601598
0.00014939 -0.00004275 -0.00038548
0.04194962 -0.02456709 0.00962261
-3.47743695 19.30776876 13.40877899
0.00019614 0.00006885 0.00084354
0.00023360 -0.01590099 0.00004692
-4.73370642 6.32440417 -12.08398506
-0.00034228 -0.00049071 0.00164037
0.01080714 -0.01684348 0.02744722
-3.37980353 3.79741199 -12.49913384
-0.00117903 0.00056004 0.00052807
-0.00684097 0.01259252 0.03445550
-7.90136515 2.14053357 -7.43221270
0.00019400 -0.00026713 0.00040286
0.01146729 -0.00654549 0.01653153
-6.22626666 3.57866047 -9.47969035
0.00010597 -0.00042438 0.00010959
-0.04329253 -0.01510565 0.01510176
2.44325986 28.29381879 7.03266619
0.00117550 0.00008746 -0.00031318
0.00187977 0.00948801 -0.02085909
0.56264978 27.98425827 9.21579105
0.00053648 0.00067846 0.00039368
0.02018666 -0.00537481 -0.00921297
10.66548636 -7.44277216 -0.74782264
-0.00038355 -0.00005578 -0.00063803
-0.00315469 0.01849417 -0.00641001
8.69498418 -7.26947328 -2.85241526
-0.00010655 0.00044542 -0.00028500
0.00302103 0.00599710 0.00608035
-6.91314914 0.50861981 6.27339043
-0.00001286 0.00068282 0.00002461
-0.02223936 -0.00386391 0.00290968
-9.45147492 -0.66613987 6.81774601
-0.00026310 0.00099263 -0.00015492
-0.01317381 -0.01796913 0.01704824
21.72822934 10.06621567 9.81088590
0.00017335 0.00014010 -0.00015555
0.01196310 0.00037857 0.01511102
21.02061720 12.40580456 8.19216308
-0.00003870 -0.00061864 0.00030000
-0.00901930 -0.00937446 0.01169472
-1.62316566 -3.57422045 -26.51899583
0.00031496 -0.00075276 -0.00001688
0.02298706 -0.02665579 0.01844935
-4.14086418 -2.19202332 -26.77956679
-0.00049026 0.00000836 0.00000012
0.00355206 0.00162485 0.00056367
-14.08877190 7.21755429 9.10661710
0.00073269 -0.00026429 0.00054104
-0.00003682 -0.00000664 -0.00101340
-15.34084707 7.16689809 6.53712137
-0.00079829 -0.00026703 0.00015290
0.00328089 0.00138379 0.00053957
-11.19113675 7.19620522 -3.44583723
-0.00041293 0.00094931 0.00072874
-0.01348314 -0.00554498 0.00492435
-8.72478909 8.31217267 -3.73106479
0.00053573 -0.00003958 0.00009817
0.02155247 0.00942808 -0.00429401
-1.27052819 -17.39129607 23.41587321
0.00020056 0.00058347 -0.00033937
0.01074420 0.01469220 -0.00368240
-3.61419370 -15.82884325 24.27272912
0.00060115 0.00025287 -0.00088459
0.05054926 0.01678552 -0.01820042
-2.49767141 5.94027626 -8.14352244
0.00100783 0.00063113 -0.00003033
-0.00328885 0.00323667 0.02278197
-4.02034998 7.61592382 -6.24849006
-0.00124387 -0.00032673 0.00033921
0.01239194 -0.01948102 0.00633195
-21.21173635 30.46707979 3.05294617
-0.00029863 -0.00085590 0.00055799
-0.01585243 -0.01934667 -0.02186221
-21.29184264 31.70870142 5.52072607
0.00072755 -0.00173261 -0.00033433
0.00229079 0.00215068 0.00406300
7.08468172 -0.05129106 6.09650594
0.00031305 -0.00069878 0.00032767
0.00180526 -0.01124751 0.01818551
7.57534259 1.93638084 7.98396886
0.00050283 0.00038700 0.00005058
-0.00062677 -0.00574828 0.01329524
7.01923663 12.74921634 -14.06154854
0.00038857 -0.00031180 -0.00066884
-0.01305839 -0.00641653 0.01050209
4.39941129 11.86660135 -14.85108882
0.00074667 -0.00066532 0.00081079
-0.04794042 0.01793792 -0.04698468
14.51081531 3.76641903 -3.12351405
-0.00007794 -0.00020018 -0.00007104
-0.00354850 0.00176271 0.00329826
15.13773090 1.20021582 -1.89721902
-0.00018538 -0.00024173 -0.00004211
-0.01337777 -0.03840125 -0.00275717
-2.61534674 13.33870572 -0.37132671
-0.00012153 -0.00051541 0.00029456
0.01153527 -0.00042984 -0.00468854
-5.23651159 12.85774239 0.46745189
0.00004819 -0.00012802 0.00078202
-0.01606587 0.00044200 0.00312913
3.87100837 10.87374942 3.49171722
-0.00008281 -0.00022771 0.00020299
-0.03008895 -0.05365825 0.01207823
6.43097641 12.10379547 3.28886361
-0.00039110 -0.00053913 -0.00084671
-0.02068525 0.00045704 -0.00168173
25.18105582 -12.92869944 -8.37065631
-0.00033913 0.00098753 0.00048208
0.00402439 0.00531224 -0.01031047
26.26949485 -11.50840118 -10.89891965
0.00025184 -0.00001916 -0.00020524
0.03884959 -0.00370812 -0.02829216
14.73958062 -4.02246553 -0.80729951
0.00034989 0.00063052 0.00083542
-0.01046910 0.00403018 0.00417983
17.15832418 -5.43240276 -0.77626022
0.00037982 -0.00042103 0.00029847
0.01256379 -0.02871791 -0.00289402
12.31299509 7.96316916 11.76008239
0.00089990 0.00029674 -0.00057190
-0.00227004 0.00508458 -0.00672397
13.33702446 9.64776671 9.42604241
0.00061931 0.00030332 0.00110806
-0.00405389 0.00809061 0.00368394
-0.19453703 -14.32596571 17.17956381
-0.00028404 -0.00015734 0.00014317
0.02018730 -0.01054377 0.00079014
1.45177381 -12.24958593 18.25102894
-0.00044442 -0.00077098 -0.00020429
0.00960262 0.00963729 0.00561216
-3.82842160 -2.31734627 -13.62568300
0.00041001 -0.00074849 0.00024529
-0.00200576 -0.01631386 0.01393121
-3.25541897 -0.67100589 -15.89457994
-0.00086826 -0.00086693 0.00086028
0.00114153 -0.00266503 -0.00223084
14.06375998 -8.18340785 -10.38782707
0.00098331 0.00002768 0.00056111
0.00658037 -0.00014205 -0.02467489
16.34221470 -6.48243856 -9.34943772
0.00102225 0.00064087 -0.00088988
-0.00113617 0.01030960 -0.00632731
7.17421340 -5.66806321 9.08856732
-0.00085136 0.00015341 -0.00048191
-0.00009956 -0.01887131 0.00150889
9.29953369 -5.99202944 7.35065585
0.00053636 -0.00066917 -0.00025353
0.01792842 0.00242045 -0.01572070
-21.47906369 1.90316209 20.85723407
-0.00085080 0.00011473 -0.00017957
0.00736916 0.01400225 0.02800115
-21.86159257 0.76423709 23.49774110
-0.00043041 0.00093321 0.00121032
-0.00520520 -0.00269612 0.00836593
26.61844392 -3.02580217 -6.37330953
0.00044232 -0.00003499 -0.00042312
-0.00241492 0.00494000 0.00252123
25.12651640 -1.51700912 -8.38571579
0.00018266 -0.00019444 -0.00041549
0.00856221 -0.01223826 0.00587748
9.17352840 -15.81337239 -7.65286483
0.00037602 -0.00062672 -0.00001998
0.00400839 0.01141442 0.00105391
8.88033656 -12.80297136 -7.02609271
0.00070204 -0.00005101 0.00036003
0.00370386 -0.01193756 -0.00204004
-5.84561241 -11.13693684 17.99589571
-0.00022518 0.00039581 0.00059208
0.00746224 0.00642524 0.01084863
-7.35148489 -11.33364648 15.58681019
0.00014521 -0.00001426 -0.00012652
0.00753999 -0.00472718 0.00184007
8.56061213 1.63957500 -29.38995638
-0.00062477 -0.00097775 0.00027403
0.01809229 -0.00917091 0.00322372
6.53939925 3.22854947 -30.36500466
-0.00049780 0.00040813 0.00109353
0.01329481 0.00986668 0.01233768
12.46414187 15.29426068 14.43286159
0.00009530 0.00092699 0.00022587
0.01979101 -0.00373834 0.00640543
11.03983395 15.86995116 17.00864685
-0.00009572 -0.00026966 0.00014283
0.01549988 0.01599660 0.05011999
29.43527609 4.85459916 -4.35165136
0.00023601 -0.00037268 0.00001430
-0.01710772 0.00740075 -0.00272278
26.86613453 6.49521966 -3.74613523
0.00044052 -0.00027885 -0.00024216
0.01346463 -0.00658356 -0.00102581
-9.94590438 4.85773613 6.79250154
0.00002479 -0.00006490 -0.00024004
-0.00273006 0.00762512 -0.00074709
-8.69783492 13.29163252 2.59573858
-0.00006095 0.00006870 0.00000518
-0.00339566 -0.00095398 -0.00097814
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09595712
0.28731651
382.83484258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.049 s
total exchange = -52.4351448725 (a.u.)
total exchange computation time: 2.7004528046 s
-154.3436806925
-931.38732014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.4342649842 (a.u.)
total exchange computation time: 2.6980562210 s
-154.3520261649
Anderson extrapolation: theta=1.3483879621 (1.3483879621)
-931.38754769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.4329686064 (a.u.)
total exchange computation time: 2.7009038925 s
-154.3641160352
Anderson extrapolation: theta=0.0533089256 (0.0533089256)
-931.38768525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.052 s
total exchange = -52.4328178129 (a.u.)
total exchange computation time: 2.7014250755 s
-154.3654261446
Anderson extrapolation: theta=1.9884832028 (1.9884832028)
-931.38769075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.049 s
total exchange = -52.4325050921 (a.u.)
total exchange computation time: 2.6994960308 s
-154.3680950430
Anderson extrapolation: theta=0.2337403719 (0.2337403719)
-931.38769665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.4324378010 (a.u.)
total exchange computation time: 2.6999330521 s
-154.3686316875
Anderson extrapolation: theta=1.8963453718 (1.8963453718)
-931.38769784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.048 s
total exchange = -52.4323426097 (a.u.)
total exchange computation time: 2.6992311478 s
-154.3693486421
Anderson extrapolation: theta=0.2862921934 (0.2862921934)
-931.38769930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 3.052 s
total exchange = -52.4323461706 (a.u.)
total exchange computation time: 2.7008168697 s
-154.3692754319
Anderson extrapolation: theta=1.3005972653 (1.3005972653)
-931.38769969
-71.661646 23.384658 142.049313
559.207019 1031.493943 -412.350362
487.545373 1054.878601 -270.301049
1193.118608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.4323721995 (a.u.)
total exchange computation time: 2.6979250908 s
679.78662733
-1085.63722724
89.81931761
-387.90439155
-175.01965396
79.34368626
551.60419304
0.00000000
-931.38770001
3.93808905 -30.78485166 -2.27819457
0.00011271 -0.00029477 0.00001058
0.01549706 -0.02385195 -0.00098330
-11.58676703 -1.90682553 -9.21749439
0.00023872 0.00035329 -0.00010068
0.00458475 0.01963435 0.00957395
-37.46828735 2.47600289 0.06770677
0.00004355 -0.00013761 0.00027466
-0.02108146 -0.00846567 0.00974945
-11.67668707 -4.08093428 3.83866230
-0.00030260 -0.00010783 0.00010159
-0.00229426 -0.01574322 0.00927130
4.35278652 -3.91514007 9.29902422
-0.00034779 -0.00014893 -0.00028578
-0.01371897 -0.03731678 0.00721339
-32.00234302 -0.56826625 -0.48223065
-0.00046258 0.00055474 0.00039301
-0.00510052 -0.02864258 -0.01296156
14.63690911 12.60728628 -13.87291348
-0.00063911 0.00001358 0.00013596
-0.00721896 -0.00344798 -0.04373323
-7.69989137 6.01676818 2.54355505
-0.00003215 0.00023706 0.00019308
-0.00617775 -0.01498084 -0.01214252
7.57563177 12.57966885 -5.76774559
-0.00004384 -0.00014848 -0.00030468
0.01349733 0.00379403 -0.00807328
8.86669471 9.86543681 -18.98979256
-0.00011505 0.00006645 0.00020583
-0.00016103 0.00990844 0.01152542
23.36897941 17.31582919 -2.16545766
-0.00004831 -0.00011942 -0.00013895
-0.02631424 -0.00426081 0.00154516
2.25028306 16.88646446 -19.51755272
-0.00022920 -0.00005941 -0.00040188
-0.01845165 -0.01530848 -0.00692661
14.00876909 -1.24376576 -5.53762275
0.00003721 0.00024202 -0.00037625
0.01498278 0.00074492 -0.02560791
-16.07867344 -1.49062655 3.18563812
0.00005534 0.00031645 0.00003310
0.02548115 -0.00097881 0.01368788
-16.78869282 -1.89205504 19.10468092
0.00050215 -0.00021487 -0.00044995
-0.01646990 0.01796083 -0.00760556
0.39780796 2.01931099 -4.97744762
0.00004004 -0.00009657 0.00016902
-0.01508145 0.04106342 0.00019962
22.57199420 -7.16541225 -8.88656005
0.00004782 0.00016686 0.00014500
0.00227612 0.00528909 -0.00206652
-0.63399404 -6.40513975 7.24579124
-0.00017429 0.00016045 -0.00003770
0.01306998 0.01171768 -0.00987351
-1.78044278 -1.39331564 -19.33518003
0.00014799 -0.00001923 -0.00002376
0.01699406 -0.02770212 0.01689091
3.24652942 2.05050976 -9.30818724
-0.00016974 -0.00029831 -0.00003861
0.00515290 -0.00084965 0.03805906
-3.82144262 17.86674961 12.29597334
-0.00018640 -0.00028318 0.00007566
-0.02993669 0.04155282 -0.00893216
-3.85050681 4.97571197 -11.05955514
-0.00009403 0.00000957 -0.00004641
0.00331303 0.00350277 -0.06375749
-8.01444823 3.01521389 -8.97885258
0.00016609 -0.00027973 -0.00004129
0.02853990 0.02263404 -0.02663213
2.21710939 27.40802737 8.57205141
0.00026267 0.00011235 0.00022451
-0.02609290 -0.00471240 0.02546428
9.84763410 -6.19025192 -1.88581447
-0.00025443 -0.00012440 0.00019699
-0.00024335 -0.02015687 0.00187604
-8.76660087 0.74816215 5.99406337
0.00008580 0.00003988 0.00016291
0.03014959 0.02334813 -0.02042644
20.35749843 10.78397635 8.89170179
-0.00005195 0.00020454 -0.00006446
-0.00305673 0.00961678 -0.02328713
-2.35415153 -2.13471622 -27.23122587
0.00058319 0.00012265 -0.00025287
-0.03571076 0.02294316 -0.01673252
-14.32303424 6.14517817 7.65287053
-0.00004569 0.00014974 0.00028902
0.00252348 -0.00561150 -0.00020634
-9.61769734 7.27836000 -2.54289382
0.00028704 0.00008570 0.00018868
-0.02127972 -0.01057924 0.00777900
-1.74994838 -15.58141918 23.66932418
-0.00020756 0.00028972 -0.00039265
-0.05366129 -0.02171244 0.02086318
-2.64076908 6.30401934 -6.29708576
-0.00005287 -0.00004978 0.00013569
-0.01839621 0.02068383 -0.02444470
-20.06783313 31.04112598 4.32211055
0.00005344 -0.00019747 -0.00027041
-0.00810402 -0.01642067 0.02248932
7.60109890 0.09047125 7.91380997
-0.00000429 0.00028771 -0.00051050
-0.00306197 0.02182505 -0.02473743
5.64215939 11.48498960 -13.73675477
0.00017531 0.00031775 0.00030215
0.06404306 -0.02061735 0.05071420
15.57363495 2.88140264 -1.94201365
-0.00022685 -0.00030392 0.00012412
0.02709815 0.04849789 0.00894466
-4.31615451 13.51976005 -0.95952406
-0.00023991 -0.00023087 0.00019274
0.00878435 -0.00785679 -0.00275587
4.57586788 12.42747697 3.16000407
0.00019478 -0.00017302 -0.00033387
0.05172531 0.07300396 -0.02236988
24.97220668 -11.68441496 -9.72117092
0.00025905 0.00014154 -0.00030395
-0.04551879 -0.00378258 0.03872830
16.49418413 -3.79850696 -0.48380887
0.00012743 0.00023729 -0.00022604
0.00975814 0.02522500 0.00115244
12.97231551 7.95661814 10.03520271
0.00007847 0.00004044 0.00027384
0.01042402 -0.01411709 -0.00927572
1.60724141 -13.95374166 17.66303680
-0.00002562 -0.00013586 -0.00001168
-0.01819076 -0.00349352 -0.01095556
-4.23361324 -0.71863334 -14.33827193
0.00044197 0.00007530 0.00016490
0.00474248 0.01540604 -0.00520040
15.11758777 -7.81698902 -8.97372565
-0.00012487 0.00037716 0.00015950
-0.00482217 -0.00843816 0.03066797
8.56317380 -6.89295225 8.73277051
-0.00035420 -0.00043430 0.00034637
-0.00993369 0.02275600 0.00490004
-21.25975845 2.31122811 22.72567558
0.00017689 -0.00006506 0.00008388
-0.00066400 -0.00685901 -0.04058100
25.73877523 -3.24294156 -7.96675487
-0.00018527 -0.00006547 -0.00025026
-0.00022404 0.01603080 -0.00593182
9.83270303 -14.09875747 -7.94921067
0.00005870 0.00025068 -0.00044741
-0.00061285 0.00084104 -0.00000467
-6.58551036 -12.38860141 16.90473730
-0.00040301 -0.00037789 0.00017978
0.00264452 0.01792395 -0.01861092
8.14977314 3.40064583 -29.36581201
-0.00035500 -0.00023112 0.00004558
-0.03390956 -0.01682353 -0.01952690
10.85529642 15.40782211 15.33901774
-0.00001069 -0.00020001 0.00012421
-0.01429371 0.00556113 -0.06012722
28.60279485 6.06441714 -3.21455159
0.00008811 0.00017950 -0.00031521
0.00061903 0.00863793 0.00315956
5.49196307 -31.19769021 -3.21970918
-0.00007017 -0.00015975 0.00016154
-0.01162955 -0.00151774 -0.00197008
4.07801397 -31.66163306 -0.67120719
0.00075675 0.00047233 0.00008733
0.00239809 0.00424937 0.00403782
-11.64710425 -3.62454263 -8.70350795
0.00005873 0.00016473 0.00018352
-0.00223797 -0.01923558 0.00740953
-12.63861977 -1.76241122 -10.65046947
0.00000391 0.00120702 -0.00030468
-0.01019759 0.00452895 -0.01934371
-39.07947157 2.03517182 0.92937416
-0.00038796 -0.00030137 0.00011776
0.02157213 0.00658763 -0.00939287
-37.85855839 4.01494482 -0.91426665
-0.00051072 0.00048470 -0.00047323
0.00044059 -0.00372222 0.00147266
-10.60725455 -5.59239848 3.63996158
0.00115190 -0.00041866 -0.00019295
-0.00438829 -0.00083167 -0.00305859
-10.51088463 -2.73660066 3.62478614
-0.00007882 0.00020024 -0.00007719
0.01183201 0.01544908 -0.00190092
5.09284501 -2.59930131 8.40764348
-0.00055976 0.00025099 -0.00026288
0.01591557 0.03926739 -0.02100127
4.79215409 -3.60538797 11.03538651
-0.00023359 0.00004863 -0.00028201
-0.00730708 0.00299023 0.01456093
-33.36543712 -1.75527635 -0.73533693
-0.00008070 0.00010339 0.00021521
-0.00272244 -0.00071219 0.00311264
-32.64511189 0.57051440 0.72393651
0.00046355 -0.00008735 0.00011712
-0.00979232 0.02130548 0.01353181
14.62075207 12.65625983 -15.82401249
-0.00020032 -0.00034904 0.00140333
-0.00585018 0.00267849 0.04068491
16.26473425 11.92868202 -13.48528227
0.00072446 -0.00016958 0.00001480
0.01626240 -0.00016088 0.00360253
-8.76546775 7.14849077 1.51451272
-0.00036796 0.00065776 0.00040358
0.01336823 -0.01096248 0.00420349
-7.43043288 4.52641521 1.39937409
0.00029391 -0.00090141 -0.00047291
-0.00338947 0.02358847 0.00684848
6.18050512 12.31455779 -6.86044374
0.00017724 0.00004308 -0.00010284
-0.01806215 -0.00248118 -0.00937281
8.86236825 13.70471235 -6.82366294
0.00000813 0.00021694 -0.00024624
-0.01187622 -0.01459970 0.02281194
8.46564487 8.86925591 -20.43145958
-0.00009568 -0.00015359 -0.00024798
0.00186568 -0.00528684 -0.01389605
10.09450415 11.16269581 -19.47383652
-0.00054040 0.00073393 -0.00110385
0.00696786 -0.00989207 -0.00069252
23.74911809 15.55394051 -2.58739474
-0.00062170 0.00061812 0.00031553
0.00778478 0.01106845 -0.00273350
24.97583586 18.18470791 -2.31967501
0.00005478 0.00002349 0.00043601
-0.00011674 0.00663178 -0.00118403
1.37601290 16.72115585 -21.25351571
0.00045550 0.00025863 -0.00002531
0.02373660 0.00946585 0.02454706
2.97015642 15.19005291 -19.08175653
0.00128954 -0.00005325 0.00013810
-0.00072450 0.01298807 -0.01006374
12.78432529 -0.55765122 -6.74722299
-0.00074590 0.00029831 0.00054100
0.00001169 -0.01722196 0.01030237
13.38297889 -1.29182815 -3.86685206
-0.00000640 0.00047314 -0.00012128
-0.01570511 0.00746380 0.01279076
-17.25356627 -2.81746704 2.98351781
-0.00055112 0.00095641 -0.00133094
-0.03857848 -0.01520024 -0.00669516
-14.66085579 -2.60173703 3.61812889
0.00025135 0.00022508 0.00001551
0.00909890 0.00892031 -0.00774684
-16.19010435 -0.43786962 20.06746150
-0.00088712 -0.00048817 0.00055521
-0.00461911 0.00986002 0.00311675
-15.54559394 -3.09229512 19.42309292
0.00008980 -0.00029210 0.00025389
0.02901112 -0.02891009 0.00923112
-0.83372995 0.68519273 -5.14583277
0.00068936 -0.00032656 0.00044830
-0.00203808 -0.02398033 0.00098515
-0.79454987 3.48192526 -5.00440365
0.00019506 0.00027871 -0.00005278
0.01669302 -0.00952914 0.00394430
23.41075544 -8.78489515 -9.22396548
0.00109824 -0.00039816 0.00021182
-0.00057508 0.00784007 0.00177485
23.85040433 -5.81624796 -8.70969206
0.00120861 -0.00033383 -0.00035036
-0.00661371 -0.01226842 0.00324568
0.40087958 -5.89485836 5.77046199
-0.00043727 -0.00058502 -0.00042971
-0.00889459 -0.00846448 0.00778376
0.10223580 -5.35978923 8.56777705
0.00067863 -0.00111060 0.00070154
-0.00074052 -0.00926041 0.00065835
-0.81468546 -2.95803279 -18.78073869
0.00063974 0.00051660 -0.00021891
-0.02033286 0.03016504 -0.01867837
-3.02310010 -1.90144588 -20.59458323
-0.00043032 0.00059361 -0.00058377
-0.00041680 -0.00638790 0.00316257
2.65011540 2.24322545 -10.97826440
-0.00007015 0.00035220 0.00058330
-0.00767800 0.01265356 -0.02010513
2.08054581 2.81676212 -8.03571949
0.00074525 -0.00034142 0.00013906
0.00824355 -0.01702008 -0.01419997
-2.48931223 16.71087411 12.44052859
0.00031951 -0.00014141 -0.00034657
0.04132568 -0.02372941 0.00942408
-3.47448765 19.30831424 13.42143351
0.00019490 -0.00000424 0.00083752
-0.00084104 -0.01987898 -0.00299200
-4.73850948 6.31652745 -12.05853838
-0.00030414 -0.00054987 0.00174425
0.00786229 -0.01211697 0.02340110
-3.39769865 3.80619854 -12.49015696
-0.00120303 0.00060400 0.00065941
-0.00490735 0.00892503 0.02983630
-7.89810368 2.13632607 -7.42566322
0.00024030 -0.00029046 0.00046384
0.01119577 -0.00487405 0.01331628
-6.22600376 3.57183191 -9.47758369
-0.00006895 -0.00048532 0.00017088
-0.04233205 -0.01472770 0.01490054
2.46094989 28.29542147 7.02732933
0.00118069 0.00012093 -0.00038841
0.00066240 0.00689390 -0.01596589
0.57131557 27.99427053 9.22141399
0.00061831 0.00065688 0.00035509
0.01986938 -0.00519262 -0.00967666
10.65963652 -7.44304219 -0.75758945
-0.00039307 0.00001449 -0.00065907
-0.00150636 0.01590444 -0.00389041
8.69347856 -7.26260828 -2.85650397
-0.00009601 0.00046814 -0.00026125
0.00213415 0.00512461 0.00554462
-6.91402347 0.51874376 6.27384881
-0.00010206 0.00066535 0.00003738
-0.02142888 -0.00469009 0.00333758
-9.45582505 -0.65180101 6.81594457
-0.00032125 0.00090802 -0.00007868
-0.01529493 -0.02344891 0.02027375
21.73119619 10.06832878 9.80901577
0.00021941 0.00014231 -0.00009511
0.01058539 0.00070127 0.01447288
21.01976030 12.39623773 8.19702143
-0.00007248 -0.00064752 0.00034314
-0.00751762 -0.00476539 0.00942195
-1.61773680 -3.58632864 -26.51868363
0.00040289 -0.00085010 0.00005273
0.02005511 -0.02099289 0.01562438
-4.14810918 -2.19184813 -26.77954775
-0.00045996 0.00001556 -0.00000137
0.01127625 0.00190173 -0.00129038
-14.07778275 7.21358975 9.11470158
0.00073131 -0.00026374 0.00053511
-0.00063815 0.00027532 -0.00188563
-15.35272085 7.16293503 6.53943140
-0.00078168 -0.00026306 0.00015978
0.00485051 0.00056005 0.00283061
-11.19774393 7.21027491 -3.43475522
-0.00046267 0.00092729 0.00075109
-0.01086131 -0.00523450 0.00601782
-8.71609272 8.31186787 -3.72972387
0.00062166 -0.00000249 0.00008146
0.02050912 0.00873003 -0.00388240
-1.26719055 -17.38209386 23.41066975
0.00024503 0.00064093 -0.00035473
0.01102195 0.01343537 -0.00383175
-3.60362744 -15.82453582 24.25890259
0.00079880 0.00032055 -0.00095574
0.04620321 0.01634223 -0.01662998
-2.48265469 5.94984243 -8.14327934
0.00099302 0.00064443 0.00006399
-0.00396288 0.00327322 0.02339153
-4.03862825 7.61042589 -6.24320783
-0.00118750 -0.00041054 0.00036424
0.01519949 -0.02154271 0.00591965
-21.21670154 30.45364847 3.06064617
-0.00036360 -0.00093547 0.00046604
-0.01595170 -0.01960462 -0.02315174
-21.28085914 31.68277823 5.51583561
0.00072709 -0.00171694 -0.00030643
-0.00251642 0.00551748 0.00959368
7.08943283 -0.06211734 6.10197826
0.00031778 -0.00074241 0.00039323
0.00050969 -0.01011306 0.01390589
7.58286579 1.94200976 7.98513492
0.00049941 0.00036119 0.00010252
-0.00104722 -0.00688953 0.01213186
7.02466508 12.74434279 -14.07125926
0.00033616 -0.00033643 -0.00062509
-0.01259760 -0.00564331 0.01091144
4.40914228 11.85717123 -14.84036677
0.00053580 -0.00058845 0.00060544
-0.05528157 0.01969150 -0.05353178
14.50953746 3.76347028 -3.12447850
-0.00009178 -0.00019354 -0.00005650
-0.00322705 0.00148917 0.00381863
15.13454027 1.19541314 -1.89793512
-0.00024008 -0.00039865 -0.00005333
-0.01339880 -0.03841456 -0.00273482
-2.61681619 13.33096147 -0.36705191
-0.00007678 -0.00051671 0.00027386
0.01036923 -0.00020931 -0.00544426
-5.23628109 12.85583558 0.47927803
-0.00001623 -0.00012454 0.00079124
-0.01546590 0.00126372 0.00138555
3.86884427 10.86868946 3.49513214
-0.00020370 -0.00043981 0.00025094
-0.02909122 -0.05016631 0.01139437
6.42447602 12.09572246 3.27611149
-0.00046824 -0.00053763 -0.00085248
-0.01707609 0.00027744 -0.00114300
25.17609218 -12.91372366 -8.36374104
-0.00032164 0.00100790 0.00044045
0.00453883 0.00465903 -0.01006590
26.27446287 -11.50880217 -10.90286521
0.00041148 -0.00003459 -0.00032023
0.03929848 -0.00384797 -0.02799412
14.74450815 -4.01288425 -0.79464013
0.00029987 0.00064518 0.00085112
-0.01401673 0.00314511 0.00350331
17.16440647 -5.43959824 -0.77187183
0.00042557 -0.00052815 0.00028840
0.00983081 -0.02371607 -0.00203538
12.32642409 7.96777603 11.75129787
0.00088492 0.00031615 -0.00058444
-0.00506261 0.00441719 0.00058591
13.34618983 9.65256444 9.44277622
0.00060252 0.00033459 0.00112174
-0.00416376 0.00721451 0.00300994
-0.19817908 -14.32864895 17.18173552
-0.00020000 -0.00020077 0.00014645
0.02095133 -0.01071631 0.00081941
1.44540181 -12.26085533 18.24813651
-0.00040519 -0.00072149 -0.00017748
0.00959716 0.01458855 0.00751199
-3.82233294 -2.32907358 -13.62157680
0.00039822 -0.00080294 0.00029766
-0.00376496 -0.01033750 0.01170586
-3.26840792 -0.68409151 -15.88174411
-0.00085285 -0.00087609 0.00083427
0.00640373 -0.00181689 -0.01049882
14.07871122 -8.18299695 -10.38016657
0.00100040 0.00002335 0.00044919
0.00178756 -0.00197795 -0.03011180
16.35751364 -6.47250956 -9.36297985
0.00100852 0.00067342 -0.00091119
-0.00558462 0.00562357 -0.00410082
7.16143998 -5.66634041 9.08138491
-0.00084656 0.00007225 -0.00047736
0.00244970 -0.02085562 0.00071645
9.30812841 -6.00199285 7.34637114
0.00060380 -0.00066492 -0.00030735
0.01508719 -0.00034072 -0.01062358
-21.49159991 1.90531215 20.85539849
-0.00081980 0.00017087 -0.00006160
0.00780440 0.01347514 0.02974623
-21.86820825 0.77815255 23.51615225
-0.00045257 0.00091950 0.00124366
-0.00563978 -0.00401181 0.00795289
26.62500467 -3.02617570 -6.37957909
0.00043104 -0.00001517 -0.00041489
-0.00310660 0.00476243 0.00150730
25.12951868 -1.52030078 -8.39176806
0.00021627 -0.00024182 -0.00039196
0.00789230 -0.01095089 0.00564280
9.17929153 -15.82242337 -7.65313216
0.00039569 -0.00057058 -0.00001706
0.00561919 0.01606664 0.00037276
8.89098072 -12.80410226 -7.02075485
0.00071538 -0.00009834 0.00035262
0.00282669 -0.01123458 -0.00158291
-5.84876139 -11.13080285 18.00510942
-0.00020006 0.00041225 0.00062836
0.00483464 0.00162471 0.00690722
-7.34907574 -11.33400526 15.58496885
0.00017640 -0.00003512 -0.00011753
0.00773104 -0.00548188 0.00255839
8.55179491 1.62462770 -29.38574716
-0.00055411 -0.00100421 0.00028659
0.01649747 -0.00378218 0.00292649
6.53233971 3.23497369 -30.34822359
-0.00044725 0.00044695 0.00114016
0.01144858 0.00913847 0.01048791
12.46617790 15.30805097 14.43644594
0.00017631 0.00091084 0.00025089
0.01986358 -0.00416533 0.00584377
11.03887311 15.86639640 17.01232515
-0.00003303 -0.00020475 0.00034584
0.01518560 0.01578134 0.04925393
29.43829198 4.84923581 -4.35152031
0.00016524 -0.00034064 0.00000454
-0.01753498 0.00828308 -0.00205685
26.87315492 6.49083519 -3.74979911
0.00048953 -0.00030405 -0.00024808
0.01052468 -0.00575320 -0.00186858
-9.94553982 4.85678316 6.78889887
0.00002381 -0.00006212 -0.00024032
-0.00275612 0.00788854 -0.00077922
-8.69875507 13.29266141 2.59581452
-0.00006175 0.00006851 0.00000494
-0.00352276 -0.00075803 -0.00108250
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09585527
0.29184474
388.86848023
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.967 s
total exchange = -52.4311522020 (a.u.)
total exchange computation time: 2.7006061077 s
-154.3295752206
-931.39202681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4303023441 (a.u.)
total exchange computation time: 2.6975648403 s
-154.3376114565
Anderson extrapolation: theta=1.3461130770 (1.3461130770)
-931.39224878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4290289926 (a.u.)
total exchange computation time: 2.6995339394 s
-154.3494011543
Anderson extrapolation: theta=0.0522992463 (0.0522992463)
-931.39238200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.4288637061 (a.u.)
total exchange computation time: 2.6997621059 s
-154.3507982333
Anderson extrapolation: theta=1.9374909918 (1.9374909918)
-931.39238696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.4285186166 (a.u.)
total exchange computation time: 2.6993329525 s
-154.3536500811
Anderson extrapolation: theta=0.2210975094 (0.2210975094)
-931.39239183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4284378875 (a.u.)
total exchange computation time: 2.7003920078 s
-154.3542642450
Anderson extrapolation: theta=1.8575176327 (1.8575176327)
-931.39239269
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.958 s
total exchange = -52.4283138683 (a.u.)
total exchange computation time: 2.6982209682 s
-154.3551534305
Anderson extrapolation: theta=0.2764396859 (0.2764396859)
-931.39239368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4283056631 (a.u.)
total exchange computation time: 2.7006371021 s
-154.3551577894
Anderson extrapolation: theta=1.3080379610 (1.3080379610)
-931.39239395
-71.618751 23.349824 142.070565
559.245307 1031.485225 -412.296491
487.626556 1054.835050 -270.225926
1193.096262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.4283144573 (a.u.)
total exchange computation time: 2.7010660172 s
679.72554978
-1085.49254879
89.81771079
-388.00530565
-175.00948585
79.26288209
551.60419304
0.00000000
-931.39239419
3.93983946 -30.78936520 -2.27803973
0.00012033 -0.00030664 0.00000992
0.01414067 -0.02230331 -0.00155682
-11.58316852 -1.90145042 -9.21896764
0.00024060 0.00036299 -0.00009620
0.00272538 0.01806542 0.00783187
-37.46771549 2.47390615 0.07186422
0.00003192 -0.00014068 0.00027892
-0.02411737 -0.00350049 0.00684176
-11.68123488 -4.08261239 3.84022195
-0.00030201 -0.00011657 0.00010603
0.00457048 -0.01824507 0.00799407
4.34751669 -3.91751799 9.29476535
-0.00035440 -0.00016749 -0.00028229
-0.01197969 -0.03486265 0.00637193
-32.00930137 -0.56005557 -0.47638553
-0.00046437 0.00053850 0.00038479
-0.00187124 -0.03451018 -0.01900525
14.62729461 12.60747667 -13.87104285
-0.00064015 0.00001071 0.00011565
0.00318482 -0.00772323 -0.03524636
-7.70039743 6.02026627 2.54640434
-0.00003525 0.00022823 0.00018569
-0.00589611 -0.01935381 -0.01657703
7.57502620 12.57745624 -5.77234699
-0.00003634 -0.00014630 -0.00030847
0.01567245 0.00470661 -0.00665103
8.86496833 9.86647176 -18.98666067
-0.00011469 0.00007157 0.00021041
0.00155595 0.01000475 0.00628954
23.36815328 17.31402150 -2.16753597
-0.00006195 -0.00011994 -0.00013782
-0.02671763 0.00223982 0.00284184
2.24677392 16.88551421 -19.52360764
-0.00023776 -0.00006782 -0.00040437
-0.01483821 -0.01737659 -0.00276078
14.00938497 -1.24013262 -5.54336534
0.00004452 0.00024241 -0.00038855
0.01344268 0.00077466 -0.02218903
-16.07774506 -1.48588358 3.18618746
0.00006839 0.00031559 0.00004015
0.02525806 -0.00237519 0.01372182
-16.78122416 -1.89520877 19.09790231
0.00049345 -0.00020580 -0.00045396
-0.01736225 0.01730461 -0.00797894
0.39835046 2.01802084 -4.97491160
0.00003269 -0.00007485 0.00016924
-0.01352004 0.04341350 0.00065097
22.57272030 -7.16288892 -8.88439306
0.00005047 0.00016855 0.00014365
0.00803105 0.00126661 -0.00316969
-0.63655793 -6.40268785 7.24518759
-0.00016767 0.00016634 -0.00004245
0.01266431 0.01118161 -0.00858942
-1.77815732 -1.39371089 -19.33547131
0.00015580 -0.00003309 -0.00001593
0.01336815 -0.02621588 0.01358306
3.24400321 2.04603180 -9.30861963
-0.00016620 -0.00029921 -0.00001846
0.00859255 -0.00264827 0.04029228
-3.82435411 17.86266218 12.29707384
-0.00020091 -0.00026156 0.00007183
-0.02648566 0.04253680 -0.00597481
-3.85190442 4.97586902 -11.06049729
-0.00009191 0.00001111 -0.00007665
0.00489588 0.00250285 -0.05380184
-8.01184675 3.01110519 -8.97957459
0.00018037 -0.00026878 -0.00005388
0.02698935 0.01997393 -0.02234491
2.22094871 27.40969443 8.57551729
0.00024980 0.00011052 0.00023626
-0.02391845 -0.00241738 0.02022803
9.84381673 -6.19219574 -1.88285238
-0.00025482 -0.00013376 0.00019739
-0.00129650 -0.01621653 -0.00032773
-8.76519765 0.74885048 5.99642828
0.00010138 0.00005319 0.00015162
0.03046443 0.02838801 -0.02350638
20.35670732 10.78708159 8.89064500
-0.00005354 0.00020802 -0.00007555
-0.00311678 0.00389197 -0.01983871
-2.34554140 -2.13278800 -27.23508347
0.00056389 0.00013266 -0.00026026
-0.03936154 0.01599350 -0.01199062
-14.32370985 6.14740265 7.65720497
-0.00004455 0.00014693 0.00028864
0.00190808 -0.00531644 -0.00124869
-9.61347379 7.27960473 -2.54003358
0.00027562 0.00008039 0.00019225
-0.02313071 -0.01008276 0.00608637
-1.75326873 -15.57715710 23.66351496
-0.00023371 0.00027906 -0.00038232
-0.04804308 -0.01975933 0.01927633
-2.64163309 6.30335240 -6.29514476
-0.00006278 -0.00003872 0.00012323
-0.02014585 0.02233982 -0.02398454
-20.06706275 31.03810066 4.31814116
0.00005042 -0.00020674 -0.00026021
-0.00366688 -0.01963020 0.01716844
7.60102277 0.09487107 7.90605707
-0.00000538 0.00029895 -0.00052161
-0.00119789 0.02189909 -0.01846968
5.64503612 11.48967636 -13.73202684
0.00020901 0.00030661 0.00032915
0.06698706 -0.02270212 0.05424523
15.57033676 2.87703093 -1.94011736
-0.00021309 -0.00027934 0.00012866
0.02638908 0.04708191 0.00869638
-4.31971922 13.51626671 -0.95664367
-0.00023523 -0.00023515 0.00019199
0.00939667 -0.00880683 -0.00012205
4.57898903 12.42516335 3.15490976
0.00021971 -0.00013675 -0.00034518
0.04523003 0.06803742 -0.02162100
24.97591692 -11.68230646 -9.72558082
0.00023577 0.00013990 -0.00028452
-0.04502664 -0.00258966 0.03682597
16.49613329 -3.79485033 -0.48719503
0.00013399 0.00024902 -0.00022558
0.01574139 0.02038760 0.00064476
12.97353283 7.95717031 10.03927452
0.00008460 0.00003357 0.00026719
0.01340356 -0.01260517 -0.01656393
1.60678697 -13.95579300 17.66281933
-0.00003507 -0.00013875 -0.00001777
-0.01857577 -0.00774900 -0.01270807
-4.22696533 -0.71744435 -14.33581845
0.00044348 0.00008147 0.00016506
0.00110505 0.00857618 0.00580516
15.11569617 -7.81136418 -8.97121492
-0.00012521 0.00037446 0.00017609
0.00348041 -0.00207228 0.03388167
8.55782254 -6.89937899 8.73798492
-0.00035903 -0.00042136 0.00034766
-0.00887912 0.02755068 0.00012046
-21.25710773 2.31022576 22.72677730
0.00017653 -0.00006817 0.00006289
-0.00070942 -0.00521838 -0.04105424
25.73599537 -3.24386174 -7.97053159
-0.00018495 -0.00005759 -0.00025292
0.00146062 0.01461220 -0.00442278
9.83358122 -14.09499408 -7.95592186
0.00005817 0.00024979 -0.00044744
-0.00148149 -0.00427643 -0.00010398
-6.59154531 -12.39420066 16.90736217
-0.00040088 -0.00036727 0.00017100
0.00563794 0.02339952 -0.01550590
8.14431732 3.39711416 -29.36520363
-0.00037135 -0.00024091 0.00003612
-0.02965371 -0.02124061 -0.01725532
10.85508095 15.40484343 15.34064894
-0.00001778 -0.00019678 0.00009417
-0.01326428 0.00700515 -0.05668877
28.60411893 6.06714302 -3.21926750
0.00008937 0.00018347 -0.00031339
0.00427374 0.00677366 0.00389925
5.49055420 -31.20013296 -3.21734649
-0.00011483 -0.00016662 0.00015143
-0.01023154 -0.00184694 -0.00297880
4.08943877 -31.65441783 -0.66977344
0.00076609 0.00048775 0.00010715
0.00217432 0.00329596 0.00566022
-11.64629196 -3.62266109 -8.70052812
0.00004870 0.00009125 0.00021085
-0.00267129 -0.01673309 0.00596917
-12.63887363 -1.74416709 -10.65563250
-0.00003342 0.00122341 -0.00037729
-0.00807533 0.00349265 -0.01619706
-39.08462999 2.03085315 0.93085271
-0.00029675 -0.00027341 0.00007809
0.02307852 0.00710044 -0.01002513
-37.86620574 4.02210121 -0.92131992
-0.00050595 0.00045929 -0.00046060
0.00189387 -0.00871251 0.00470910
-10.59011045 -5.59870386 3.63697359
0.00112546 -0.00041215 -0.00020396
-0.00855479 0.00401930 -0.00232857
-10.51170431 -2.73312361 3.62357010
-0.00003576 0.00025824 -0.00008383
0.00924363 0.01293977 -0.00135075
5.08493635 -2.59433320 8.40305678
-0.00049753 0.00040682 -0.00034586
0.01454647 0.03701322 -0.01961804
4.78842638 -3.60456695 11.03160260
-0.00026371 0.00006034 -0.00022371
-0.00744072 0.00274246 0.01397467
-33.36673100 -1.75374729 -0.73201347
-0.00009171 0.00010187 0.00022886
-0.00266950 -0.00003422 0.00357387
-32.63845870 0.56985701 0.72610792
0.00041700 0.00000965 0.00018360
-0.01299567 0.02617481 0.01901340
14.61756795 12.65110632 -15.80171579
-0.00022542 -0.00033732 0.00155628
-0.00643605 0.00305725 0.03418558
16.27609945 11.92613345 -13.48494994
0.00077178 -0.00016235 0.00002587
0.00690014 0.00369684 0.00181772
-8.77057755 7.15802121 1.52069525
-0.00031084 0.00060918 0.00042193
0.01459610 -0.01281389 0.00477834
-7.42612814 4.51361684 1.39249028
0.00027702 -0.00079239 -0.00043726
-0.00487577 0.02977989 0.01060222
6.18261025 12.31512801 -6.86227360
0.00009981 0.00003209 -0.00014409
-0.01983978 -0.00289818 -0.01081609
8.86212620 13.70751913 -6.82665745
-0.00004088 0.00015606 -0.00015285
-0.01211385 -0.01520357 0.02289925
8.46426683 8.86678998 -20.43560514
-0.00008684 -0.00017123 -0.00029743
0.00246283 -0.00334569 -0.01030913
10.08661173 11.17340162 -19.49041553
-0.00051623 0.00068893 -0.00110333
0.00486016 -0.01213386 0.00094668
23.74003116 15.56355151 -2.58274563
-0.00058696 0.00065125 0.00030118
0.00922041 0.00514597 -0.00429068
24.97665397 18.18526347 -2.31317111
0.00005282 0.00004920 0.00043029
-0.00084018 0.00595169 -0.00161543
1.38357272 16.72532532 -21.25314310
0.00054909 0.00029477 0.00007021
0.02208010 0.00822775 0.02220979
2.98947729 15.18965210 -19.07999348
0.00128240 0.00000558 0.00009391
-0.00276798 0.01581231 -0.01156337
12.77313708 -0.55370429 -6.73879225
-0.00074574 0.00022840 0.00058057
0.00007028 -0.01700199 0.00906630
13.38240159 -1.28450240 -3.86827928
-0.00006768 0.00050293 -0.00007303
-0.01429242 0.00712021 0.01082527
-17.26301520 -2.80358675 2.96334854
-0.00070442 0.00089593 -0.00135733
-0.03646310 -0.01440187 -0.00622203
-14.65680666 -2.59808756 3.61812421
0.00028440 0.00026151 -0.00001699
0.00707969 0.00891377 -0.00816260
-16.20355275 -0.44489001 20.07588517
-0.00090442 -0.00044693 0.00056847
-0.00384737 0.01032886 0.00337556
-15.54335793 -3.09756253 19.42718412
0.00020858 -0.00040983 0.00029228
0.02913175 -0.02872072 0.00956164
-0.82345207 0.67955948 -5.13907815
0.00067763 -0.00042610 0.00045175
-0.00370162 -0.02474465 0.00070721
-0.79111250 3.48581393 -5.00507455
0.00026346 0.00023684 -0.00003694
0.01679283 -0.01096826 0.00380963
23.42721135 -8.79062723 -9.22073375
0.00108862 -0.00035712 0.00022072
-0.00413064 0.01224459 0.00257972
23.86833083 -5.82163135 -8.71484805
0.00117646 -0.00038513 -0.00033689
-0.00912200 -0.01284262 0.00335189
0.39404792 -5.90389303 5.76425489
-0.00047272 -0.00061780 -0.00039686
-0.00845485 -0.00758063 0.00829482
0.11239254 -5.37673207 8.57832032
0.00067554 -0.00114876 0.00070055
-0.00077365 -0.00941926 -0.00114436
-0.80571239 -2.94935948 -18.78459476
0.00055711 0.00063599 -0.00029498
-0.02011724 0.02827938 -0.01855482
-3.02956759 -1.89273742 -20.60324284
-0.00042508 0.00056820 -0.00056445
0.00297799 -0.00605062 0.00629150
2.64882784 2.24889624 -10.97013101
-0.00010451 0.00040511 0.00049288
-0.00913871 0.01324601 -0.02415736
2.09197716 2.81111927 -8.03406874
0.00077452 -0.00040843 0.00008466
0.00608636 -0.01578041 -0.01242677
-2.48325320 16.70802575 12.43561877
0.00048398 -0.00023414 -0.00030879
0.03918052 -0.02165878 0.00907371
-3.47158990 19.30764141 13.43390466
0.00018945 -0.00009224 0.00081999
-0.00182847 -0.02319368 -0.00559084
-4.74283069 6.30790813 -12.03165754
-0.00027921 -0.00058815 0.00183056
0.00434204 -0.00662259 0.01884686
-3.41589452 3.81553206 -12.47935152
-0.00121877 0.00063154 0.00076992
-0.00279693 0.00455713 0.02425792
-7.89415607 2.13181986 -7.41829764
0.00028531 -0.00030647 0.00051064
0.01083404 -0.00296334 0.00959262
-6.22833523 3.56410074 -9.47456384
-0.00023797 -0.00054409 0.00023076
-0.04040187 -0.01404045 0.01440976
2.47868051 28.29744664 7.02101397
0.00118066 0.00014323 -0.00044262
-0.00067458 0.00402383 -0.01057020
0.58119908 28.00396454 9.22644388
0.00069752 0.00063647 0.00031520
0.01890228 -0.00479472 -0.00985215
10.65369435 -7.44233749 -0.76759468
-0.00039536 0.00007334 -0.00066919
0.00038333 0.01290438 -0.00106547
8.69210374 -7.25542921 -2.86025287
-0.00008939 0.00048700 -0.00023995
0.00110691 0.00411206 0.00488557
-6.91621109 0.52858027 6.27451175
-0.00018670 0.00064444 0.00005203
-0.02000252 -0.00554299 0.00383277
-9.46111254 -0.63889925 6.81538563
-0.00038713 0.00080333 0.00000946
-0.01695327 -0.02779660 0.02287186
21.73481178 10.07048486 9.80803263
0.00025895 0.00014628 -0.00003783
0.00876633 0.00124310 0.01356622
21.01844267 12.38637884 8.20245720
-0.00009967 -0.00065656 0.00037654
-0.00578749 0.00034169 0.00692909
-1.61107883 -3.59972340 -26.51741388
0.00047810 -0.00092246 0.00011001
0.01675831 -0.01442627 0.01241169
-4.15466310 -2.19155639 -26.77960778
-0.00039984 0.00002383 -0.00000996
0.01815539 0.00214254 -0.00291618
-14.06683270 7.20964209 9.12267051
0.00072749 -0.00026197 0.00052561
-0.00122980 0.00059019 -0.00276704
-15.36429736 7.15900628 6.54191490
-0.00075877 -0.00026203 0.00017546
0.00636101 -0.00005579 0.00484203
-11.20501675 7.22402381 -3.42330440
-0.00050113 0.00090658 0.00077795
-0.00796536 -0.00490306 0.00712713
-8.70613943 8.31209811 -3.72862088
0.00070247 0.00003105 0.00006716
0.01905099 0.00768814 -0.00312103
-1.26317741 -17.37206825 23.40523145
0.00029066 0.00069274 -0.00037075
0.01131724 0.01192815 -0.00401088
-3.59022957 -15.81922684 24.24405688
0.00097594 0.00038594 -0.00101961
0.04050655 0.01567045 -0.01463389
-2.46788084 5.95960920 -8.14160266
0.00097552 0.00065763 0.00015968
-0.00460463 0.00318800 0.02344579
-4.05597501 7.60360768 -6.23756281
-0.00112055 -0.00050174 0.00038755
0.01757572 -0.02310093 0.00548804
-21.22264435 30.43901566 3.06692728
-0.00042765 -0.00101526 0.00037051
-0.01540356 -0.01945068 -0.02361158
-21.27002987 31.65719318 5.51153310
0.00070682 -0.00168778 -0.00025574
-0.00740877 0.00875791 0.01521825
7.09421518 -0.07356342 6.10830281
0.00031696 -0.00078148 0.00044011
-0.00091449 -0.00901215 0.00904200
7.59032480 1.94721644 7.98704449
0.00049420 0.00033112 0.00014956
-0.00150024 -0.00782639 0.01089546
7.02932146 12.73912338 -14.08030125
0.00028623 -0.00035739 -0.00057992
-0.01184444 -0.00461579 0.01120092
4.41548528 11.84894793 -14.83292548
0.00030129 -0.00050643 0.00037891
-0.05951480 0.02045850 -0.05735612
14.50806183 3.76061280 -3.12520893
-0.00010436 -0.00018799 -0.00003987
-0.00292826 0.00122872 0.00432069
15.13052848 1.18825618 -1.89881884
-0.00029384 -0.00055169 -0.00006452
-0.01291671 -0.03649843 -0.00274397
-2.61765014 13.32320439 -0.36311077
-0.00003732 -0.00051711 0.00025005
0.00894896 0.00001333 -0.00621453
-5.23699843 12.85400621 0.49118909
-0.00007786 -0.00011755 0.00079302
-0.01470212 0.00215927 -0.00051211
3.86489728 10.86055501 3.49924537
-0.00031842 -0.00063299 0.00029499
-0.02706399 -0.04439712 0.01016704
6.41692911 12.08766647 3.26328931
-0.00052937 -0.00053706 -0.00085603
-0.01284488 0.00000241 -0.00059564
25.17140671 -12.89846234 -8.35744267
-0.00030207 0.00102516 0.00040036
0.00504027 0.00378923 -0.00955905
26.28183935 -11.50943898 -10.90852643
0.00056988 -0.00005083 -0.00043140
0.03823699 -0.00409977 -0.02642470
14.74857664 -4.00311021 -0.78176605
0.00023639 0.00065631 0.00086435
-0.01705429 0.00230291 0.00297594
17.17109126 -5.44824719 -0.76760818
0.00045952 -0.00061351 0.00028194
0.00679017 -0.01807022 -0.00112911
12.33954282 7.97265361 11.74254926
0.00085836 0.00033280 -0.00056639
-0.00794212 0.00373476 0.00825012
13.35510003 9.65780432 9.45969449
0.00058520 0.00036180 0.00113269
-0.00431310 0.00610395 0.00235196
-0.20053711 -14.33198895 17.18395745
-0.00011372 -0.00024487 0.00014971
0.02128657 -0.01086659 0.00077249
1.43961799 -12.27123064 18.24570447
-0.00036613 -0.00065265 -0.00014325
0.00952321 0.01910769 0.00924428
-3.81647502 -2.34143444 -13.61675320
0.00037928 -0.00083255 0.00034079
-0.00550420 -0.00415959 0.00940771
-3.28100441 -0.69728849 -15.86955170
-0.00081591 -0.00088211 0.00077398
0.01167613 -0.00113196 -0.01901415
14.09377202 -8.18270727 -10.37435151
0.00099875 0.00001163 0.00031612
-0.00259741 -0.00375809 -0.03502332
16.37247032 -6.46223591 -9.37677330
0.00097722 0.00068766 -0.00092327
-0.00973614 0.00134848 -0.00181218
7.14881668 -5.66589576 9.07424640
-0.00083197 -0.00001621 -0.00047585
0.00469083 -0.02244306 0.00002288
9.31764776 -6.01197715 7.34143536
0.00065916 -0.00067196 -0.00033995
0.01201127 -0.00310231 -0.00533603
-21.50365783 1.90828804 20.85538595
-0.00078723 0.00022447 0.00006198
0.00814174 0.01276580 0.03074812
-21.87516957 0.79182215 23.53505080
-0.00047624 0.00090123 0.00127490
-0.00594934 -0.00493344 0.00733946
26.63137504 -3.02625735 -6.38575629
0.00041693 0.00000386 -0.00041084
-0.00379882 0.00455349 0.00047496
25.13300465 -1.52426357 -8.39747450
0.00024683 -0.00028314 -0.00036966
0.00706429 -0.00927672 0.00527032
9.18539904 -15.83048969 -7.65337665
0.00042147 -0.00049657 -0.00001682
0.00700119 0.02016100 -0.00025298
8.90179811 -12.80592168 -7.01551399
0.00072498 -0.00014242 0.00034733
0.00187232 -0.01034228 -0.00101000
-5.85161408 -11.12456929 18.01474645
-0.00018557 0.00040923 0.00064863
0.00225365 -0.00310288 0.00301614
-7.34619278 -11.33470001 15.58328430
0.00020811 -0.00005868 -0.00010599
0.00778885 -0.00605340 0.00309008
8.54398877 1.60944862 -29.38135858
-0.00049006 -0.00100861 0.00029782
0.01485594 0.00163072 0.00256859
6.52598182 3.24195798 -30.33079976
-0.00040512 0.00048259 0.00117878
0.00917537 0.00830812 0.00841516
12.46943128 15.32158598 14.44038843
0.00025696 0.00089292 0.00027387
0.01961567 -0.00460693 0.00540188
11.03884295 15.86380881 17.01902205
0.00002778 -0.00014203 0.00054055
0.01458237 0.01491726 0.04605699
29.44023323 4.84438010 -4.35151531
0.00009315 -0.00030538 -0.00000281
-0.01775347 0.00897338 -0.00153808
26.88082033 6.48609814 -3.75357751
0.00052577 -0.00032564 -0.00025758
0.00721664 -0.00481679 -0.00278146
-9.94519006 4.85587253 6.78529200
0.00002282 -0.00005925 -0.00024060
-0.00277050 0.00815780 -0.00081911
-8.69968749 13.29368767 2.59588669
-0.00006258 0.00006835 0.00000467
-0.00362367 -0.00054495 -0.00121210
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09585704
0.29653715
395.12088902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.4255478041 (a.u.)
total exchange computation time: 2.6040570736 s
-154.3125050022
-931.39620451
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.870 s
total exchange = -52.4247990023 (a.u.)
total exchange computation time: 2.6049270630 s
-154.3198414963
Anderson extrapolation: theta=1.3540742551 (1.3540742551)
-931.39642174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.867 s
total exchange = -52.4236737605 (a.u.)
total exchange computation time: 2.6051309109 s
-154.3306975695
Anderson extrapolation: theta=0.0555941049 (0.0555941049)
-931.39655407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4235281070 (a.u.)
total exchange computation time: 2.6028661728 s
-154.3320311462
Anderson extrapolation: theta=2.0330001701 (2.0000000000)
-931.39655970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4232222773 (a.u.)
total exchange computation time: 2.6053390503 s
-154.3347940455
Anderson extrapolation: theta=0.2516426306 (0.2516426306)
-931.39656606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.956 s
total exchange = -52.4231503393 (a.u.)
total exchange computation time: 2.6038100719 s
-154.3354193232
Anderson extrapolation: theta=1.7338335900 (1.7338335900)
-931.39656743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.960 s
total exchange = -52.4230559734 (a.u.)
total exchange computation time: 2.6042211056 s
-154.3362201706
Anderson extrapolation: theta=0.3082762754 (0.3082762754)
-931.39656908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4230559700 (a.u.)
total exchange computation time: 2.6039810181 s
-154.3362021502
Anderson extrapolation: theta=1.2340229307 (1.2340229307)
-931.39656955
-71.575506 23.304706 142.098608
559.284489 1031.474362 -412.239589
487.708983 1054.779068 -270.140981
1193.061224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1300378583
ExchangeOperator: bisection time: 2.870 s
total exchange = -52.4230762684 (a.u.)
total exchange computation time: 2.6045510769 s
679.65073543
-1085.31703316
89.81689755
-388.12713357
-174.99695993
79.16482405
551.60419304
0.00000000
-931.39656995
3.94169896 -30.79405081 -2.27789690
0.00012719 -0.00031771 0.00000902
0.01251641 -0.02074843 -0.00193892
-11.57954899 -1.89593594 -9.22038048
0.00024143 0.00037177 -0.00009270
0.00049663 0.01608450 0.00579293
-37.46732969 2.47178241 0.07607445
0.00001892 -0.00014128 0.00028167
-0.02645872 0.00117862 0.00385275
-11.68574743 -4.08443126 3.84184328
-0.00029790 -0.00012634 0.00010982
0.01142242 -0.01978157 0.00672409
4.34215443 -3.92016486 9.29055564
-0.00035992 -0.00018443 -0.00027938
-0.00948650 -0.03101004 0.00492161
-32.01627416 -0.55211113 -0.47068703
-0.00046462 0.00051946 0.00037366
0.00090555 -0.03956202 -0.02426074
14.61770469 12.60760749 -13.86944412
-0.00063596 0.00000571 0.00010002
0.01309109 -0.01172341 -0.02550155
-7.70094897 6.02361505 2.54912575
-0.00003819 0.00021731 0.00017626
-0.00553215 -0.02309304 -0.02010030
7.57454152 12.57527994 -5.77699970
-0.00002795 -0.00014374 -0.00031159
0.01694936 0.00525202 -0.00546766
8.86325395 9.86758389 -18.98348026
-0.00011350 0.00007666 0.00021224
0.00306655 0.00980927 0.00083425
23.36712104 17.31223108 -2.16959235
-0.00007576 -0.00011699 -0.00013603
-0.02701690 0.00920463 0.00413467
2.24315031 16.88442990 -19.52968387
-0.00024441 -0.00007716 -0.00040458
-0.01102116 -0.01894942 0.00194689
14.01010456 -1.23649350 -5.54927912
0.00005102 0.00024279 -0.00039889
0.01185286 0.00071515 -0.01802095
-16.07662183 -1.48115895 3.18684267
0.00008103 0.00031379 0.00004715
0.02388844 -0.00462452 0.01348845
-16.77388944 -1.89822901 19.09106214
0.00048464 -0.00019731 -0.00045803
-0.01687683 0.01569775 -0.00784793
0.39878865 2.01706561 -4.97237056
0.00002612 -0.00005216 0.00016967
-0.01202787 0.04479219 0.00103306
22.57350837 -7.16035581 -8.88225053
0.00005596 0.00016825 0.00014176
0.01329852 -0.00243780 -0.00418278
-0.63902413 -6.40014969 7.24451768
-0.00016132 0.00017191 -0.00004648
0.01203816 0.01049499 -0.00705502
-1.77576873 -1.39430839 -19.33565780
0.00016165 -0.00004598 -0.00000983
0.00936599 -0.02391994 0.01010716
3.24154328 2.04153341 -9.30874118
-0.00016092 -0.00030108 0.00000243
0.01196019 -0.00461897 0.04095927
-3.82746994 17.85890292 12.29812826
-0.00021332 -0.00023988 0.00006942
-0.02177127 0.04175487 -0.00338400
-3.85326425 4.97604538 -11.06185451
-0.00008888 0.00001214 -0.00010142
0.00690583 0.00150377 -0.04252016
-8.00903705 3.00715058 -8.98046899
0.00019362 -0.00025931 -0.00006411
0.02452474 0.01685181 -0.01742914
2.22460352 27.41134285 8.57913923
0.00023823 0.00010984 0.00024519
-0.02110618 -0.00019582 0.01448188
9.83998936 -6.19426467 -1.87989283
-0.00025575 -0.00014103 0.00019661
-0.00231008 -0.01204665 -0.00269818
-8.76355940 0.74975783 5.99861185
0.00011682 0.00006872 0.00013892
0.02954995 0.03202502 -0.02586577
20.35589216 10.79021686 8.88943515
-0.00005512 0.00020840 -0.00008478
-0.00300075 -0.00239455 -0.01603280
-2.33723493 -2.13073639 -27.23903358
0.00054299 0.00013898 -0.00026522
-0.04189301 0.00857491 -0.00729510
-14.32437074 6.14958611 7.66152978
-0.00004371 0.00014425 0.00028776
0.00134794 -0.00512110 -0.00218259
-9.60942868 7.28077167 -2.53712637
0.00026330 0.00007541 0.00019488
-0.02479601 -0.00929710 0.00413907
-1.75695972 -15.57304746 23.65785445
-0.00025659 0.00026951 -0.00037293
-0.04093705 -0.01738052 0.01726705
-2.64265252 6.30285780 -6.29338879
-0.00007349 -0.00002690 0.00011115
-0.02150196 0.02361005 -0.02299078
-20.06632066 31.03492390 4.31430421
0.00004946 -0.00021770 -0.00025292
-0.00003575 -0.02299934 0.01117677
7.60093741 0.09943983 7.89816169
-0.00000548 0.00031019 -0.00052936
0.00080305 0.02181756 -0.01168343
5.64842963 11.49418799 -13.72688042
0.00024323 0.00029460 0.00035719
0.06608626 -0.02401972 0.05480131
15.56724215 2.87302244 -1.93815397
-0.00019981 -0.00025595 0.00013308
0.02526667 0.04389394 0.00851226
-4.32321144 13.51270544 -0.95376421
-0.00023022 -0.00023993 0.00019263
0.01007207 -0.00978407 0.00260276
4.58245911 12.42337461 3.14964866
0.00024094 -0.00010345 -0.00035599
0.03732837 0.06143208 -0.02041423
24.97927979 -11.68021795 -9.72970662
0.00021310 0.00013896 -0.00026645
-0.04311633 -0.00106830 0.03346604
16.49820388 -3.79103642 -0.49057620
0.00014350 0.00025816 -0.00022543
0.02124584 0.01514940 -0.00006337
12.97485355 7.95762523 10.04321855
0.00009226 0.00002752 0.00025678
0.01638857 -0.01090420 -0.02392529
1.60618923 -13.95790412 17.66250383
-0.00004461 -0.00014366 -0.00002466
-0.01850180 -0.01135326 -0.01411217
-4.22030889 -0.71618920 -14.33332019
0.00044314 0.00008419 0.00017083
-0.00240427 0.00199586 0.01663422
15.11383143 -7.80575532 -8.96844280
-0.00012155 0.00037486 0.00019413
0.01075051 0.00365481 0.03626430
8.55240278 -6.90559318 8.74320026
-0.00036321 -0.00040607 0.00034648
-0.00736729 0.03191766 -0.00471591
-21.25446248 2.30918316 22.72756229
0.00017614 -0.00007049 0.00004190
-0.00080508 -0.00382169 -0.04056489
25.73322677 -3.24466919 -7.97434243
-0.00018374 -0.00005052 -0.00025477
0.00325195 0.01286265 -0.00279253
9.83444799 -14.09126368 -7.96263386
0.00005727 0.00024640 -0.00044757
-0.00201554 -0.00891508 -0.00040861
-6.59753678 -12.39961938 16.90986742
-0.00039722 -0.00035392 0.00016383
0.00859662 0.02848186 -0.01237995
8.13863273 3.39341863 -29.36472837
-0.00038540 -0.00025290 0.00002789
-0.02499503 -0.02539488 -0.01475119
10.85476315 15.40191880 15.34184282
-0.00002418 -0.00019265 0.00006639
-0.01163944 0.00906059 -0.05134611
28.60547598 6.06992116 -3.22395332
0.00009253 0.00018650 -0.00031114
0.00800666 0.00503873 0.00484412
5.48851828 -31.20268889 -3.21516637
-0.00015329 -0.00017496 0.00013697
-0.00859569 -0.00223501 -0.00409983
4.10099681 -31.64700061 -0.66799280
0.00077458 0.00049939 0.00013344
0.00197742 0.00240383 0.00721240
-11.64564337 -3.62180506 -8.69718246
0.00003694 0.00002908 0.00023195
-0.00308390 -0.01369913 0.00436038
-12.63962240 -1.72570892 -10.66178818
-0.00006137 0.00123531 -0.00043603
-0.00560644 0.00233416 -0.01255800
-39.08837401 2.02696963 0.93171686
-0.00020065 -0.00024375 0.00003659
0.02396143 0.00741675 -0.01028769
-37.87373703 4.02872364 -0.92808458
-0.00049538 0.00041448 -0.00043532
0.00328094 -0.01322264 0.00766570
-10.57349064 -5.60476292 3.63384289
0.00108269 -0.00038697 -0.00021208
-0.01238479 0.00830511 -0.00164619
-10.51195748 -2.72885353 3.62227127
-0.00000388 0.00030513 -0.00008808
0.00636320 0.01001598 -0.00072932
5.07791918 -2.58709670 8.39726777
-0.00044235 0.00055059 -0.00042115
0.01246243 0.03336291 -0.01724032
4.78424265 -3.60357786 11.02867514
-0.00029449 0.00007096 -0.00016859
-0.00762564 0.00245546 0.01300630
-33.36818848 -1.75222032 -0.72847098
-0.00010262 0.00010308 0.00024443
-0.00267204 0.00062702 0.00404585
-32.63260196 0.57080377 0.72944460
0.00035836 0.00012492 0.00027086
-0.01570806 0.03025199 0.02369804
14.61398938 12.64614018 -15.77732399
-0.00025283 -0.00032407 0.00167972
-0.00698023 0.00342851 0.02623774
16.28788753 11.92381144 -13.48450620
0.00078177 -0.00013991 0.00002996
-0.00201025 0.00728987 0.00018445
-8.77479281 7.16676632 1.52717063
-0.00024934 0.00055382 0.00044213
0.01550750 -0.01428556 0.00511095
-7.42212220 4.50264356 1.38625623
0.00025450 -0.00066012 -0.00038763
-0.00614858 0.03496383 0.01369386
6.18349946 12.31552060 -6.86476633
0.00001649 0.00001969 -0.00019026
-0.02094693 -0.00317147 -0.01178815
8.86114174 13.70939414 -6.82824855
-0.00009047 0.00009311 -0.00005967
-0.01215993 -0.01560957 0.02271596
8.46303972 8.86411900 -20.44038252
-0.00007544 -0.00018068 -0.00033177
0.00311442 -0.00128079 -0.00650088
10.07901718 11.18336379 -19.50693652
-0.00050038 0.00063505 -0.00109604
0.00289781 -0.01424332 0.00262107
23.73150932 15.57347789 -2.57835947
-0.00054629 0.00065935 0.00028039
0.01068708 -0.00118156 -0.00588235
24.97742059 18.18618379 -2.30676622
0.00004762 0.00007202 0.00042280
-0.00170584 0.00522312 -0.00205190
1.39248574 16.72999904 -21.25140934
0.00063522 0.00032573 0.00015481
0.02007826 0.00692466 0.01920318
3.00862853 15.19022038 -19.07893909
0.00126723 0.00007503 0.00004387
-0.00466028 0.01818252 -0.01293488
12.76195318 -0.55079934 -6.72980587
-0.00074572 0.00015963 0.00061461
-0.00006099 -0.01665841 0.00759576
13.38094836 -1.27674027 -3.86904306
-0.00012270 0.00053128 -0.00003393
-0.01263945 0.00675550 0.00831563
-17.27469880 -2.79058909 2.94279793
-0.00084678 0.00084076 -0.00138119
-0.03322618 -0.01260565 -0.00545844
-14.65232365 -2.59389180 3.61761927
0.00030925 0.00029758 -0.00005118
0.00508002 0.00874225 -0.00857298
-16.21723694 -0.45127738 20.08451572
-0.00091875 -0.00040449 0.00058239
-0.00316818 0.01044167 0.00343818
-15.53933654 -3.10459013 19.43186131
0.00032522 -0.00052413 0.00033135
0.02796616 -0.02722713 0.00956540
-0.81340104 0.67240972 -5.13228019
0.00066003 -0.00052758 0.00045424
-0.00491594 -0.02492996 0.00051040
-0.78664597 3.48903039 -5.00551196
0.00033148 0.00018985 -0.00002168
0.01650203 -0.01203079 0.00366112
23.44341411 -8.79560890 -9.21734391
0.00106496 -0.00029936 0.00023260
-0.00745309 0.01603013 0.00323638
23.88569828 -5.82780181 -8.71979862
0.00113454 -0.00043813 -0.00032291
-0.01140043 -0.01310123 0.00348993
0.38669809 -5.91339229 5.75855614
-0.00050594 -0.00064678 -0.00036247
-0.00780644 -0.00660453 0.00853889
0.12250186 -5.39425218 8.58879345
0.00067232 -0.00118743 0.00069223
-0.00079841 -0.00950558 -0.00292757
-0.79797224 -2.93895302 -18.78958798
0.00047645 0.00074611 -0.00036983
-0.01936266 0.02562587 -0.01808714
-3.03585258 -1.88439978 -20.61151688
-0.00040632 0.00054409 -0.00053268
0.00620642 -0.00575442 0.00926041
2.64698021 2.25537883 -10.96347814
-0.00014401 0.00046024 0.00038816
-0.01020052 0.01373829 -0.02710277
2.10378153 2.80450929 -8.03317957
0.00079429 -0.00046980 0.00003843
0.00359022 -0.01426114 -0.01020441
-2.47479295 16.70385000 12.43126504
0.00063689 -0.00031623 -0.00027267
0.03566953 -0.01852718 0.00860731
-3.46880420 19.30554713 13.44603317
0.00018016 -0.00019236 0.00079277
-0.00272013 -0.02581717 -0.00773334
-4.74688580 6.29888294 -12.00362165
-0.00026979 -0.00060255 0.00189740
0.00026926 -0.00042753 0.01387493
-3.43426180 3.82514488 -12.46705941
-0.00122561 0.00063984 0.00085572
-0.00055017 -0.00049602 0.01774328
-7.88954448 2.12713204 -7.41034416
0.00032866 -0.00031440 0.00054156
0.01038973 -0.00092180 0.00554715
-6.23314278 3.55550909 -9.47066086
-0.00039706 -0.00059941 0.00028801
-0.03747396 -0.01303591 0.01361618
2.49636980 28.29971842 7.01405082
0.00117501 0.00015355 -0.00047428
-0.00209224 0.00102759 -0.00492961
0.59224103 28.01336471 9.23086997
0.00077150 0.00061814 0.00027517
0.01731520 -0.00418104 -0.00974181
10.64777568 -7.44084193 -0.77766521
-0.00039035 0.00011984 -0.00066830
0.00206742 0.00985731 0.00150224
8.69079676 -7.24799813 -2.86370235
-0.00008728 0.00050163 -0.00022158
-0.00007149 0.00304469 0.00410694
-6.91962458 0.53807708 6.27540958
-0.00026427 0.00062001 0.00006884
-0.01796635 -0.00641727 0.00439722
-9.46743904 -0.62770104 6.81622842
-0.00045849 0.00068379 0.00010657
-0.01797772 -0.03072024 0.02466396
21.73896463 10.07271713 9.80788091
0.00029033 0.00015283 0.00001531
0.00659531 0.00196212 0.01244777
21.01677035 12.37654090 8.20831764
-0.00011940 -0.00064393 0.00039942
-0.00387046 0.00584039 0.00427124
-1.60339382 -3.61400229 -26.51538345
0.00053952 -0.00096694 0.00015375
0.01330541 -0.00734986 0.00899980
-4.16010435 -2.19113335 -26.77984654
-0.00031354 0.00003300 -0.00002469
0.02408834 0.00235032 -0.00429633
-14.05595803 7.20573060 9.13046985
0.00072126 -0.00025896 0.00051256
-0.00181870 0.00088417 -0.00361892
-15.37548402 7.15507412 6.54469515
-0.00072988 -0.00026335 0.00019907
0.00778069 -0.00058976 0.00671784
-11.21277774 7.23747221 -3.41141679
-0.00052743 0.00088723 0.00080925
-0.00490839 -0.00456735 0.00819576
-8.69501857 8.31279952 -3.72770917
0.00077658 0.00005974 0.00005657
0.01722625 0.00635541 -0.00206015
-1.25847068 -17.36131161 23.39954734
0.00033752 0.00073797 -0.00038755
0.01161888 0.01020965 -0.00421371
-3.57434920 -15.81295748 24.22831430
0.00112682 0.00044810 -0.00107440
0.03334916 0.01475598 -0.01218770
-2.45338920 5.96957135 -8.13848908
0.00095549 0.00067025 0.00025443
-0.00519962 0.00299043 0.02293909
-4.07224461 7.59537371 -6.23158144
-0.00104478 -0.00059832 0.00040905
0.01951418 -0.02417392 0.00503700
-21.22953118 30.42319079 3.07176133
-0.00048819 -0.00109353 0.00027474
-0.01422824 -0.01886347 -0.02326708
-21.25965465 31.63214488 5.50816326
0.00066685 -0.00164590 -0.00018240
-0.01215728 0.01174291 0.02068512
7.09894148 -0.08556182 6.11518151
0.00031010 -0.00081616 0.00046613
-0.00244261 -0.00796286 0.00369429
7.59769187 1.95194348 7.98962180
0.00048709 0.00029771 0.00019143
-0.00198060 -0.00852924 0.00959638
7.03325195 12.73362109 -14.08865679
0.00023993 -0.00037368 -0.00053382
-0.01081729 -0.00335915 0.01136441
4.41818085 11.84197844 -14.82899933
0.00005681 -0.00042337 0.00014320
-0.06015786 0.02020032 -0.05802625
14.50640675 3.75783063 -3.12567456
-0.00011577 -0.00018346 -0.00002125
-0.00265977 0.00098731 0.00479094
15.12572507 1.17886237 -1.89987072
-0.00034468 -0.00069326 -0.00007579
-0.01196862 -0.03279905 -0.00277117
-2.61793565 13.31544813 -0.35955050
-0.00000405 -0.00051661 0.00022310
0.00733417 0.00023292 -0.00697585
-5.23861681 12.85230918 0.50306876
-0.00013611 -0.00010682 0.00078690
-0.01381347 0.00309048 -0.00248690
3.85929164 10.84969963 3.50398170
-0.00042317 -0.00079899 0.00033307
-0.02421327 -0.03685978 0.00847342
6.40859498 12.07961061 3.25043063
-0.00057209 -0.00053784 -0.00085735
-0.00806825 -0.00038133 -0.00004959
25.16703014 -12.88296880 -8.35173013
-0.00028049 0.00103847 0.00036284
0.00552145 0.00272666 -0.00880712
26.29155923 -11.51032705 -10.91580711
0.00072107 -0.00006827 -0.00053377
0.03576979 -0.00443902 -0.02368646
14.75159994 -3.99319504 -0.76870959
0.00016193 0.00066415 0.00087577
-0.01939575 0.00153818 0.00261548
17.17819219 -5.45800359 -0.76341373
0.00048072 -0.00067512 0.00027915
0.00358547 -0.01208901 -0.00023381
12.35217481 7.97776007 11.73430627
0.00082005 0.00034666 -0.00051689
-0.01080853 0.00304718 0.01598016
13.36374590 9.66341830 9.47675690
0.00056720 0.00038408 0.00114096
-0.00449673 0.00480424 0.00169494
-0.20159056 -14.33599492 17.18622673
-0.00002693 -0.00028952 0.00015262
0.02119563 -0.01098977 0.00065514
1.43441781 -12.28043492 18.24383897
-0.00032746 -0.00056669 -0.00010244
0.00940645 0.02297194 0.01073157
-3.81095444 -2.35405023 -13.61135302
0.00035343 -0.00083706 0.00037461
-0.00714970 0.00195197 0.00714379
-3.29288531 -0.71055483 -15.85852461
-0.00075793 -0.00088572 0.00067921
0.01670781 -0.00063454 -0.02738048
14.10867362 -8.18264791 -10.37068290
0.00098052 -0.00000702 0.00016474
-0.00632592 -0.00537464 -0.03908110
16.38683031 -6.45187962 -9.39067782
0.00092978 0.00068546 -0.00092597
-0.01348481 -0.00242739 0.00048839
7.13648087 -5.66682657 9.06710930
-0.00080888 -0.00011037 -0.00047700
0.00661112 -0.02365096 -0.00058584
9.32790324 -6.02215157 7.33617255
0.00070171 -0.00069004 -0.00035096
0.00881707 -0.00575082 -0.00005097
-21.51521678 1.91204631 20.85725784
-0.00075351 0.00027483 0.00018814
0.00836447 0.01188516 0.03100981
-21.88249551 0.80518940 23.55439917
-0.00050088 0.00088005 0.00130317
-0.00611110 -0.00543435 0.00650050
26.63751259 -3.02605994 -6.39190437
0.00040004 0.00002198 -0.00041097
-0.00446811 0.00431908 -0.00053554
25.13692356 -1.52879490 -8.40285795
0.00027371 -0.00031689 -0.00034916
0.00609610 -0.00724736 0.00476802
9.19193563 -15.83732042 -7.65363664
0.00045240 -0.00040711 -0.00001898
0.00813804 0.02363096 -0.00080841
8.91273025 -12.80837494 -7.01033503
0.00073059 -0.00018254 0.00034457
0.00087086 -0.00929562 -0.00034179
-5.85432864 -11.11852589 18.02456832
-0.00018135 0.00038737 0.00065338
-0.00018692 -0.00759730 -0.00068893
-7.34283247 -11.33576575 15.58178913
0.00023978 -0.00008421 -0.00009267
0.00771546 -0.00644023 0.00342816
8.53709308 1.59436947 -29.37681258
-0.00043273 -0.00099125 0.00030746
0.01320676 0.00686484 0.00215221
6.52018624 3.24945143 -30.31286020
-0.00037308 0.00051466 0.00120854
0.00650536 0.00739082 0.00615319
12.47388684 15.33483865 14.44466199
0.00033593 0.00087316 0.00029530
0.01903957 -0.00506699 0.00508910
11.03970648 15.86213545 17.02854159
0.00008560 -0.00008401 0.00071799
0.01372361 0.01348411 0.04080184
29.44108643 4.84007434 -4.35160457
0.00002061 -0.00026774 -0.00000836
-0.01775230 0.00945400 -0.00117873
26.88892801 6.48106588 -3.75752637
0.00054792 -0.00034324 -0.00027090
0.00362653 -0.00379813 -0.00374017
-9.94485518 4.85500571 6.78168075
0.00002183 -0.00005628 -0.00024090
-0.00277376 0.00843276 -0.00085905
-8.70063252 13.29471203 2.59595464
-0.00006344 0.00006825 0.00000439
-0.00376963 -0.00031553 -0.00124134
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09553473
0.30103522
401.11434121
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.4195484949 (a.u.)
total exchange computation time: 2.6338081360 s
-154.2915349023
-931.39985946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.870 s
total exchange = -52.4188643034 (a.u.)
total exchange computation time: 2.6336729527 s
-154.2982431816
Anderson extrapolation: theta=1.3672818230 (1.3672818230)
-931.40007070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.870 s
total exchange = -52.4178100481 (a.u.)
total exchange computation time: 2.6330809593 s
-154.3083517381
Anderson extrapolation: theta=0.0606883412 (0.0606883412)
-931.40020141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.871 s
total exchange = -52.4176578321 (a.u.)
total exchange computation time: 2.6340389252 s
-154.3096911600
Anderson extrapolation: theta=2.1810224563 (2.0000000000)
-931.40020764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.4173376714 (a.u.)
total exchange computation time: 2.6352820396 s
-154.3124392874
Anderson extrapolation: theta=0.3418135086 (0.3418135086)
-931.40021517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.4172388707 (a.u.)
total exchange computation time: 2.6352908611 s
-154.3132294775
Anderson extrapolation: theta=1.3247126414 (1.3247126414)
-931.40021706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.960 s
total exchange = -52.4171442990 (a.u.)
total exchange computation time: 2.6378760338 s
-154.3139237900
Anderson extrapolation: theta=0.4321878532 (0.4321878532)
-931.40021881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.4171399579 (a.u.)
total exchange computation time: 2.6335771084 s
-154.3138853115
Anderson extrapolation: theta=0.9504708367 (0.9504708367)
-931.40021944
-71.538182 23.252212 142.132765
559.323676 1031.461825 -412.180052
487.785494 1054.714037 -270.047287
1193.013799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.867 s
total exchange = -52.4171633500 (a.u.)
total exchange computation time: 2.6356978416 s
679.56542853
-1085.11851544
89.81642698
-388.26397466
-174.98242194
79.05441873
551.60419304
0.00000000
-931.40021987
3.94365503 -30.79889649 -2.27776903
0.00013315 -0.00032799 0.00000799
0.01068350 -0.01922557 -0.00209766
-11.57592562 -1.89029737 -9.22174862
0.00024105 0.00037945 -0.00009029
-0.00198350 0.01380345 0.00359004
-37.46714801 2.46966775 0.08031439
0.00000489 -0.00013956 0.00028288
-0.02809407 0.00551278 0.00083412
-11.69017186 -4.08640273 3.84351649
-0.00029032 -0.00013669 0.00011295
0.01806949 -0.02046032 0.00545527
4.33671899 -3.92305096 9.28638389
-0.00036401 -0.00019910 -0.00027734
-0.00639899 -0.02602047 0.00302374
-32.02323997 -0.54447190 -0.46517570
-0.00046359 0.00049810 0.00036012
0.00308919 -0.04348236 -0.02840260
14.60821575 12.60764785 -13.86804214
-0.00062688 -0.00000125 0.00008974
0.02223536 -0.01533846 -0.01446900
-7.70154319 6.02678568 2.55169208
-0.00004092 0.00020462 0.00016524
-0.00507519 -0.02627373 -0.02276083
7.57418761 12.57314416 -5.78169459
-0.00001915 -0.00014099 -0.00031417
0.01727842 0.00543439 -0.00456262
8.86156323 9.86877169 -18.98029341
-0.00011159 0.00008160 0.00021125
0.00437716 0.00938907 -0.00469140
23.36588036 17.31051168 -2.17161684
-0.00008971 -0.00011041 -0.00013358
-0.02722646 0.01641557 0.00539495
2.23944168 16.88319941 -19.53574507
-0.00024901 -0.00008725 -0.00040220
-0.00685648 -0.02029417 0.00729533
14.01091559 -1.23284886 -5.55533192
0.00005670 0.00024313 -0.00040694
0.01024540 0.00058049 -0.01328607
-16.07531431 -1.47646999 3.18760193
0.00009269 0.00031066 0.00005395
0.02146854 -0.00753160 0.01296364
-16.76668492 -1.90112815 19.08416143
0.00047641 -0.00018987 -0.00046190
-0.01511609 0.01323787 -0.00718942
0.39913405 2.01645593 -4.96982155
0.00002029 -0.00002903 0.00017028
-0.01064304 0.04514983 0.00134328
22.57439903 -7.15784152 -8.88014026
0.00006401 0.00016613 0.00013938
0.01802469 -0.00578784 -0.00509022
-0.64139745 -6.39753056 7.24379334
-0.00015534 0.00017709 -0.00004965
0.01119432 0.00966194 -0.00528458
-1.77330789 -1.39509042 -19.33576632
0.00016539 -0.00005755 -0.00000551
0.00519459 -0.02104061 0.00669274
3.23917563 2.03699938 -9.30854674
-0.00015394 -0.00030399 0.00002323
0.01516610 -0.00670298 0.03991762
-3.83075372 17.85546578 12.29915657
-0.00022304 -0.00021899 0.00006825
-0.01603811 0.03948348 -0.00119724
-3.85457081 4.97623333 -11.06353975
-0.00008470 0.00001268 -0.00012009
0.00933030 0.00057406 -0.03011021
-8.00603815 3.00332599 -8.98149784
0.00020535 -0.00025154 -0.00007169
0.02110452 0.01336284 -0.01206024
2.22809549 27.41298976 8.58287289
0.00022825 0.00011027 0.00025110
-0.01768178 0.00184931 0.00851842
9.83614417 -6.19642653 -1.87695409
-0.00025726 -0.00014601 0.00019462
-0.00354969 -0.00735305 -0.00503758
-8.76169318 0.75091223 6.00059586
0.00013143 0.00008572 0.00012522
0.02729778 0.03407267 -0.02738957
20.35505385 10.79333366 8.88810162
-0.00005659 0.00020546 -0.00009199
-0.00273967 -0.00905588 -0.01200192
-2.32925166 -2.12861863 -27.24303996
0.00052104 0.00014145 -0.00026781
-0.04345611 0.00104621 -0.00280939
-14.32502123 6.15173007 7.66583776
-0.00004313 0.00014163 0.00028643
0.00090878 -0.00505354 -0.00297639
-9.60557487 7.28186688 -2.53418724
0.00025017 0.00007089 0.00019647
-0.02623585 -0.00827646 0.00204087
-1.76096653 -15.56907191 23.65232715
-0.00027541 0.00026128 -0.00036468
-0.03223489 -0.01461422 0.01480818
-2.64383784 6.30254534 -6.29181019
-0.00008480 -0.00001453 0.00009972
-0.02247747 0.02451136 -0.02147354
-20.06557885 31.03156970 4.31055349
0.00005012 -0.00023041 -0.00024879
0.00260024 -0.02641613 0.00488421
7.60085824 0.10417691 7.89017618
-0.00000453 0.00032135 -0.00053353
0.00289693 0.02158008 -0.00452239
5.65233297 11.49851431 -13.72131122
0.00027599 0.00028208 0.00038474
0.06131757 -0.02465170 0.05233173
15.56434246 2.86935257 -1.93612492
-0.00018719 -0.00023457 0.00013742
0.02381120 0.03921156 0.00837902
-4.32662596 13.50906868 -0.95086468
-0.00022486 -0.00024522 0.00019467
0.01080511 -0.01075056 0.00532234
4.58621717 12.42205980 3.14423007
0.00025783 -0.00007382 -0.00036609
0.02836614 0.05380184 -0.01885371
24.98231003 -11.67813768 -9.73357423
0.00019173 0.00013887 -0.00025041
-0.03999327 0.00070766 0.02888562
16.50043837 -3.78710564 -0.49395787
0.00015565 0.00026457 -0.00022568
0.02599398 0.00978751 -0.00092371
12.97630070 7.95799603 10.04697800
0.00010143 0.00002238 0.00024266
0.01926110 -0.00908422 -0.03099784
1.60544876 -13.96010283 17.66207946
-0.00005399 -0.00015021 -0.00003218
-0.01799988 -0.01411035 -0.01510948
-4.21367101 -0.71491865 -14.33069359
0.00044110 0.00008365 0.00018198
-0.00555497 -0.00410900 0.02673210
15.11204962 -7.80011826 -8.96539092
-0.00011449 0.00037802 0.00021312
0.01671385 0.00860202 0.03756001
8.54692619 -6.91156113 8.74837922
-0.00036652 -0.00038867 0.00034283
-0.00550417 0.03574566 -0.00945535
-21.25182344 2.30811107 22.72803434
0.00017569 -0.00007216 0.00002141
-0.00094599 -0.00268774 -0.03910818
25.73048326 -3.24537742 -7.97817482
-0.00018159 -0.00004443 -0.00025577
0.00511510 0.01082150 -0.00108742
9.83529921 -14.08760206 -7.96934901
0.00005617 0.00024076 -0.00044789
-0.00224264 -0.01303249 -0.00082462
-6.60346192 -12.40481838 16.91227717
-0.00039207 -0.00033810 0.00015825
0.01144907 0.03306779 -0.00933884
8.13275531 3.38952718 -29.36436691
-0.00039698 -0.00026693 0.00002099
-0.02002540 -0.02915579 -0.01206665
10.85435555 15.39906407 15.34264057
-0.00002961 -0.00018733 0.00004174
-0.00948807 0.01161949 -0.04449193
28.60689480 6.07273817 -3.22860177
0.00009760 0.00018870 -0.00030836
0.01171196 0.00348005 0.00596859
5.48595556 -31.20538181 -3.21323751
-0.00018467 -0.00018499 0.00011775
-0.00676636 -0.00267514 -0.00530479
4.11267605 -31.63943606 -0.66577014
0.00078230 0.00050759 0.00016583
0.00180400 0.00161082 0.00864312
-11.64518379 -3.62178859 -8.69356957
0.00002355 -0.00001989 0.00024624
-0.00346882 -0.01027478 0.00263439
-12.64071477 -1.70710769 -10.66871349
-0.00007879 0.00124228 -0.00047926
-0.00291964 0.00107752 -0.00860084
-39.09064953 2.02354066 0.93195051
-0.00010223 -0.00021321 -0.00000523
0.02421651 0.00753365 -0.01018353
-37.88106724 4.03453571 -0.93437944
-0.00047933 0.00035235 -0.00039862
0.00457813 -0.01719021 0.01030015
-10.55762985 -5.61031299 3.63061131
0.00102502 -0.00034547 -0.00021754
-0.01584523 0.01201206 -0.00102981
-10.51182067 -2.72396961 3.62092775
0.00001589 0.00033954 -0.00008971
0.00331241 0.00682764 -0.00007123
5.07166578 -2.57781550 8.39042216
-0.00039683 0.00067708 -0.00048508
0.00981921 0.02855496 -0.01405285
4.77959158 -3.60243829 11.02654478
-0.00032612 0.00008032 -0.00011814
-0.00785536 0.00212916 0.01169068
-33.36980972 -1.75065492 -0.72468053
-0.00011371 0.00010689 0.00026193
-0.00275272 0.00123752 0.00452176
-32.62770791 0.57360457 0.73423363
0.00028996 0.00025459 0.00037490
-0.01777298 0.03322058 0.02723086
14.60998303 12.64138415 -15.75132418
-0.00028236 -0.00030934 0.00176766
-0.00747627 0.00378467 0.01681121
16.29955242 11.92193619 -13.48405116
0.00075683 -0.00010355 0.00002781
-0.01019729 0.01050895 -0.00123789
-8.77805767 7.17463593 1.53395924
-0.00018479 0.00049326 0.00046317
0.01608762 -0.01536148 0.00518867
-7.41849310 4.49381309 1.38086143
0.00022721 -0.00050870 -0.00032665
-0.00721205 0.03916020 0.01615330
6.18310492 12.31571883 -6.86798152
-0.00006984 0.00000650 -0.00023933
-0.02131387 -0.00328797 -0.01223083
8.85941205 13.71031250 -6.82844747
-0.00013986 0.00002892 0.00003222
-0.01201366 -0.01581094 0.02226559
8.46200348 8.86136954 -20.44555830
-0.00006138 -0.00018164 -0.00035043
0.00377197 0.00080915 -0.00263039
10.07160022 11.19245304 -19.52329687
-0.00049221 0.00057291 -0.00108195
0.00110397 -0.01617443 0.00427941
23.72364244 15.58333186 -2.57433382
-0.00049963 0.00064119 0.00025315
0.01215439 -0.00770383 -0.00745338
24.97808266 18.18742421 -2.30048707
0.00003868 0.00009180 0.00041353
-0.00267110 0.00445815 -0.00248835
1.40262928 16.73509715 -21.24849869
0.00071256 0.00035118 0.00022576
0.01778185 0.00553501 0.01552339
3.02749415 15.19190299 -19.07867744
0.00124470 0.00015335 -0.00001161
-0.00636586 0.02015831 -0.01422320
12.75076554 -0.54891533 -6.72035398
-0.00074658 0.00009249 0.00064224
-0.00036083 -0.01620584 0.00593024
13.37872051 -1.26856414 -3.86929721
-0.00017059 0.00055807 -0.00000590
-0.01080149 0.00636005 0.00540535
-17.28841872 -2.77836399 2.92191281
-0.00097393 0.00079456 -0.00140133
-0.02901325 -0.01000782 -0.00439762
-14.64752930 -2.58916025 3.61658893
0.00032605 0.00033258 -0.00008702
0.00314402 0.00839209 -0.00897269
-16.23111530 -0.45702483 20.09335698
-0.00093049 -0.00036236 0.00059612
-0.00257623 0.01018222 0.00328222
-15.53360121 -3.11328637 19.43712474
0.00043466 -0.00062981 0.00036976
0.02560266 -0.02450271 0.00923622
-0.80365129 0.66373209 -5.12545094
0.00063846 -0.00062853 0.00045609
-0.00564110 -0.02448707 0.00039428
-0.78116809 3.49150954 -5.00572501
0.00039751 0.00013934 -0.00000706
0.01581955 -0.01269522 0.00349876
23.45916010 -8.79960813 -9.21375573
0.00102829 -0.00022751 0.00024685
-0.01049457 0.01914372 0.00373705
23.90236704 -5.83477520 -8.72453529
0.00108385 -0.00049152 -0.00030831
-0.01341231 -0.01303285 0.00365739
0.37886984 -5.92329631 5.75338071
-0.00053597 -0.00067168 -0.00032769
-0.00689492 -0.00558735 0.00848514
0.13256225 -5.41235484 8.59908716
0.00066906 -0.00122626 0.00067674
-0.00080032 -0.00950499 -0.00465274
-0.79141875 -2.92697606 -18.79568969
0.00039961 0.00084447 -0.00044229
-0.01825354 0.02252022 -0.01738409
-3.04175720 -1.87641481 -20.61922337
-0.00037489 0.00052103 -0.00048933
0.00917857 -0.00553293 0.01196155
2.64450743 2.26270339 -10.95848628
-0.00018689 0.00051708 0.00027406
-0.01079007 0.01408613 -0.02874771
2.11580592 2.79702531 -8.03291580
0.00080323 -0.00052443 0.00000216
0.00078607 -0.01248174 -0.00755146
-2.46414665 16.69853879 12.42743881
0.00077314 -0.00038384 -0.00023860
0.03102833 -0.01456971 0.00806590
-3.46618521 19.30187061 13.45768773
0.00016743 -0.00030177 0.00075774
-0.00350921 -0.02773941 -0.00941208
-4.75092440 6.28983154 -11.97473541
-0.00027801 -0.00059048 0.00194336
-0.00429197 0.00633835 0.00861855
-3.45266280 3.83472730 -12.45367988
-0.00122310 0.00062620 0.00091314
0.00177804 -0.00618187 0.01036355
-7.88429615 2.12238772 -7.40205071
0.00037005 -0.00031395 0.00055568
0.00986845 0.00114505 0.00136392
-6.24024697 3.54611852 -9.46592341
-0.00054205 -0.00064994 0.00034137
-0.03350037 -0.01170130 0.01250390
2.51393085 28.30205318 7.00678554
0.00116349 0.00015166 -0.00048289
-0.00354576 -0.00195569 0.00071544
0.60434417 28.02250863 9.23469902
0.00083781 0.00060275 0.00023617
0.01514223 -0.00335130 -0.00935072
10.64198371 -7.43874226 -0.78764368
-0.00037727 0.00015263 -0.00065535
0.00433521 0.00619112 0.00483537
8.68948540 -7.24038046 -2.86690014
-0.00009004 0.00051156 -0.00020649
-0.00128141 0.00181708 0.00327763
-6.92413917 0.54718060 6.27657690
-0.00033231 0.00059198 0.00008810
-0.01533949 -0.00730336 0.00503181
-9.47486732 -0.61838555 6.81858277
-0.00053246 0.00055564 0.00020908
-0.01822749 -0.03200960 0.02551473
21.74352168 10.07506965 9.80849207
0.00031233 0.00016258 0.00006358
0.00417290 0.00281069 0.01117845
21.01486082 12.36706089 8.21443984
-0.00013102 -0.00060835 0.00041126
-0.00182206 0.01157958 0.00152213
-1.59489336 -3.62873162 -26.51280147
0.00058687 -0.00098222 0.00018349
0.00987669 -0.00012902 0.00556061
-4.16406932 -2.19056626 -26.78034861
-0.00020504 0.00004297 -0.00004455
0.02902327 0.00252717 -0.00542447
-14.04519482 7.20187330 9.13804740
0.00071267 -0.00025474 0.00049614
-0.00238885 0.00117975 -0.00442106
-15.38619384 7.15110581 6.54788711
-0.00069544 -0.00026656 0.00022994
0.00908047 -0.00098054 0.00839250
-11.22083955 7.25064070 -3.39902689
-0.00054113 0.00086924 0.00084474
-0.00179834 -0.00423769 0.00917723
-8.68284198 8.31389043 -3.72692372
0.00084260 0.00008253 0.00005081
0.01508940 0.00479808 -0.00075888
-1.25305187 -17.34992926 23.39360499
0.00038559 0.00077584 -0.00040522
0.01191087 0.00832851 -0.00443471
-3.55642499 -15.80578378 24.21182480
0.00124524 0.00050599 -0.00111824
0.02462076 0.01358281 -0.00927106
-2.43921622 5.97971677 -8.13396965
0.00093316 0.00068186 0.00034597
-0.00573143 0.00269106 0.02187011
-4.08731827 7.58565822 -6.22529138
-0.00096200 -0.00069831 0.00042867
0.02100488 -0.02477623 0.00456869
-21.23729001 30.40620985 3.07516943
-0.00054274 -0.00116851 0.00018190
-0.01247535 -0.01784202 -0.02217958
-21.25002451 31.60781625 5.50606113
0.00060832 -0.00159262 -0.00008764
-0.01649199 0.01433685 0.02570095
7.10351809 -0.09804822 6.12228662
0.00029685 -0.00084669 0.00046958
-0.00404216 -0.00698002 -0.00200167
7.60493756 1.95614779 7.99278724
0.00047797 0.00026194 0.00022787
-0.00248282 -0.00898123 0.00824530
7.03651949 12.72791292 -14.09631585
0.00019836 -0.00038442 -0.00048733
-0.00953539 -0.00189732 0.01139413
4.41718956 11.83624696 -14.82862939
-0.00018278 -0.00034329 -0.00008863
-0.05712061 0.01899562 -0.05545988
14.50458865 3.75510896 -3.12584657
-0.00012617 -0.00017987 -0.00000081
-0.00242795 0.00077118 0.00521856
15.12018816 1.16745844 -1.90109243
-0.00039083 -0.00081660 -0.00008717
-0.01062199 -0.02757893 -0.00279992
-2.61777168 13.30770614 -0.35641774
0.00002234 -0.00051523 0.00019309
0.00558681 0.00044306 -0.00771328
-5.24108176 12.85080155 0.51479602
-0.00019056 -0.00009228 0.00077262
-0.01283789 0.00403017 -0.00450273
3.85220207 10.83658525 3.50923734
-0.00051509 -0.00093179 0.00036348
-0.02077811 -0.02814749 0.00641698
6.39976637 12.07153139 3.23756891
-0.00059441 -0.00054040 -0.00085647
-0.00285883 -0.00087490 0.00047985
25.16299195 -12.86730815 -8.34655735
-0.00025700 0.00104711 0.00032885
0.00597577 0.00150241 -0.00783459
26.30347130 -11.51148717 -10.92453944
0.00085970 -0.00008720 -0.00062295
0.03209193 -0.00482807 -0.01996748
14.75343456 -3.98318560 -0.75549283
0.00007959 0.00066904 0.00088608
-0.02091013 0.00085232 0.00242911
17.18551287 -5.46850088 -0.75923361
0.00048873 -0.00071218 0.00027989
0.00033653 -0.00604943 0.00059555
12.36414439 7.98305329 11.72704265
0.00077031 0.00035770 -0.00043639
-0.01353885 0.00236125 0.02342496
13.37211617 9.66932670 9.49392319
0.00054840 0.00040076 0.00114653
-0.00470768 0.00336267 0.00103261
-0.20134501 -14.34067442 17.18853615
0.00005862 -0.00033461 0.00015493
0.02068102 -0.01108188 0.00047251
1.42979412 -12.28823134 18.24263117
-0.00028930 -0.00046671 -0.00005621
0.00927515 0.02597041 0.01190068
-3.80587203 -2.36654639 -13.60551504
0.00032117 -0.00081719 0.00039942
-0.00864510 0.00777682 0.00500525
-3.30374225 -0.72386007 -15.84917555
-0.00068048 -0.00088769 0.00055155
0.02120524 -0.00032820 -0.03510574
14.12318754 -8.18291794 -10.36940941
0.00094885 -0.00003172 -0.00000082
-0.00917721 -0.00671641 -0.04195823
16.40036386 -6.44167209 -9.40455241
0.00086798 0.00066893 -0.00091933
-0.01676963 -0.00566438 0.00276239
7.12455023 -5.66920685 9.05993629
-0.00077864 -0.00020865 -0.00048043
0.00819400 -0.02445818 -0.00109305
9.33869908 -6.03267843 7.33090661
0.00073118 -0.00071850 -0.00034073
0.00560707 -0.00818118 0.00505685
-21.52626309 1.91653297 20.86103021
-0.00071915 0.00032126 0.00031384
0.00845676 0.01084169 0.03051891
-21.89019597 0.81822360 23.57414592
-0.00052582 0.00085772 0.00132750
-0.00609842 -0.00549394 0.00540815
26.64337630 -3.02559784 -6.39808527
0.00038051 0.00003911 -0.00041509
-0.00509272 0.00406497 -0.00148457
25.14121607 -1.53377040 -8.40794918
0.00029640 -0.00034172 -0.00033094
0.00501041 -0.00490411 0.00414860
9.19897096 -15.84270290 -7.65394617
0.00048745 -0.00030483 -0.00002325
0.00902050 0.02643227 -0.00127915
8.92371576 -12.81139789 -7.00517702
0.00073207 -0.00021814 0.00034469
-0.00014743 -0.00813074 0.00040237
-5.85705466 -11.11294809 18.03434797
-0.00018669 0.00034789 0.00064360
-0.00242334 -0.01173159 -0.00410256
-7.33899931 -11.33722618 15.58050407
0.00027089 -0.00011093 -0.00007837
0.00751223 -0.00664262 0.00357365
8.53100679 1.57971104 -29.37213468
-0.00038210 -0.00095322 0.00031530
0.01157983 0.01175435 0.00168384
6.51478936 3.25739785 -30.29454353
-0.00035267 0.00054284 0.00122876
0.00348485 0.00640321 0.00374610
12.47950926 15.34778079 14.44924743
0.00041189 0.00085147 0.00031572
0.01814039 -0.00554936 0.00490499
11.04141108 15.86128847 17.04056173
0.00013950 -0.00003277 0.00087058
0.01265680 0.01160096 0.03389122
29.44085166 4.83634797 -4.35176607
-0.00005145 -0.00022859 -0.00001278
-0.01752461 0.00971093 -0.00098424
26.89725796 6.47580085 -3.76170446
0.00055504 -0.00035657 -0.00028817
-0.00014166 -0.00272498 -0.00471495
-9.94453518 4.85418416 6.77806488
0.00002084 -0.00005321 -0.00024122
-0.00277072 0.00871155 -0.00089361
-8.70159068 13.29573529 2.59601826
-0.00006432 0.00006820 0.00000409
-0.00377869 -0.00012910 -0.00130616
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09529810
0.30492177
406.29297623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.4131257716 (a.u.)
total exchange computation time: 2.6276109219 s
-154.2686982193
-931.40274263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4125370836 (a.u.)
total exchange computation time: 2.6287658215 s
-154.2746083550
Anderson extrapolation: theta=1.3528278256 (1.3528278256)
-931.40294080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4116153665 (a.u.)
total exchange computation time: 2.6275191307 s
-154.2836307326
Anderson extrapolation: theta=0.0546998335 (0.0546998335)
-931.40306081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.4114681961 (a.u.)
total exchange computation time: 2.6268010139 s
-154.2849452830
Anderson extrapolation: theta=2.0299081598 (2.0000000000)
-931.40306579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.966 s
total exchange = -52.4111480342 (a.u.)
total exchange computation time: 2.6263470650 s
-154.2877364806
Anderson extrapolation: theta=0.2555969095 (0.2555969095)
-931.40307149
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.4110620667 (a.u.)
total exchange computation time: 2.6289808750 s
-154.2884301679
Anderson extrapolation: theta=1.7692451188 (1.7692451188)
-931.40307275
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.961 s
total exchange = -52.4109357263 (a.u.)
total exchange computation time: 2.6293339729 s
-154.2893939158
Anderson extrapolation: theta=0.3138789033 (0.3138789033)
-931.40307429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.4109221720 (a.u.)
total exchange computation time: 2.6272408962 s
-154.2894421076
Anderson extrapolation: theta=1.2255797081 (1.2255797081)
-931.40307474
-71.501602 23.188825 142.171864
559.362080 1031.448119 -412.118260
487.860478 1054.636944 -269.946396
1192.953472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 2.873 s
total exchange = -52.4109248203 (a.u.)
total exchange computation time: 2.6283090115 s
679.47514893
-1084.90749202
89.81627650
-388.40951368
-174.96657004
78.93673980
551.60419304
0.00000000
-931.40307514
3.94569351 -30.80389048 -2.27765734
0.00013812 -0.00033749 0.00000693
0.00863522 -0.01772018 -0.00200302
-11.57231756 -1.88455231 -9.22308907
0.00023936 0.00038591 -0.00008903
-0.00458664 0.01128577 0.00130027
-37.46718306 2.46759563 0.08456078
-0.00000977 -0.00013571 0.00028253
-0.02890964 0.00946199 -0.00218345
-11.69445689 -4.08853205 3.84523178
-0.00027941 -0.00014720 0.00011544
0.02435510 -0.02037883 0.00421982
4.33123418 -3.92613781 9.28223548
-0.00036640 -0.00021096 -0.00027635
-0.00288573 -0.02009219 0.00082905
-32.03018194 -0.53716812 -0.45988348
-0.00046161 0.00047513 0.00034483
0.00462011 -0.04584914 -0.03105081
14.59889836 12.60756989 -13.86675177
-0.00061335 -0.00000994 0.00008546
0.03037370 -0.01844236 -0.00219057
-7.70217657 6.02975361 2.55408282
-0.00004338 0.00019045 0.00015308
-0.00448249 -0.02883943 -0.02450511
7.57396700 12.57105030 -5.78642468
-0.00001045 -0.00013825 -0.00031636
0.01654947 0.00519601 -0.00396302
8.85990628 9.87003193 -18.97714275
-0.00010904 0.00008627 0.00020745
0.00553647 0.00877526 -0.01010511
23.36442965 17.30891892 -2.17359971
-0.00010373 -0.00010013 -0.00013051
-0.02726761 0.02354622 0.00654447
2.23568015 16.88181235 -19.54175000
-0.00025141 -0.00009783 -0.00039698
-0.00250221 -0.02085966 0.01301368
14.01180566 -1.22919975 -5.56148722
0.00006156 0.00024338 -0.00041244
0.00862842 0.00039841 -0.00812696
-16.07384116 -1.47183913 3.18846120
0.00010286 0.00030593 0.00006040
0.01808211 -0.01084744 0.01210947
-16.75959701 -1.90392515 19.07720526
0.00046938 -0.00018388 -0.00046528
-0.01223365 0.01007353 -0.00598580
0.39939734 2.01619457 -4.96726218
0.00001515 -0.00000603 0.00017103
-0.00933785 0.04429594 0.00158092
22.57542874 -7.15537187 -8.87806927
0.00007433 0.00016239 0.00013655
0.02209586 -0.00876059 -0.00588320
-0.64368441 -6.39483689 7.24302823
-0.00014987 0.00018182 -0.00005187
0.01007210 0.00870505 -0.00335580
-1.77080697 -1.39603477 -19.33582320
0.00016689 -0.00006735 -0.00000299
0.00063530 -0.01706872 0.00311649
3.23692497 2.03241364 -9.30804434
-0.00014540 -0.00030798 0.00004300
0.01807274 -0.00879645 0.03696135
-3.83416123 17.85233324 12.30017564
-0.00022961 -0.00019961 0.00006808
-0.00951495 0.03587339 0.00055592
-3.85580539 4.97642572 -11.06545729
-0.00007920 0.00001277 -0.00013214
0.01207776 -0.00019712 -0.01675449
-8.00287643 2.99960448 -8.98261974
0.00021505 -0.00024565 -0.00007643
0.01660009 0.00953840 -0.00635552
2.23145106 27.41465093 8.58667227
0.00022020 0.00011167 0.00025394
-0.01364092 0.00360343 0.00252237
9.83227159 -6.19864511 -1.87405422
-0.00025942 -0.00014850 0.00019138
-0.00484713 -0.00230909 -0.00757586
-8.75961637 0.75232949 6.00236858
0.00014452 0.00010331 0.00011100
0.02357214 0.03432883 -0.02790988
20.35419440 10.79638060 8.88667549
-0.00005790 0.00019906 -0.00009709
-0.00235963 -0.01582374 -0.00784856
-2.32160363 -2.12649281 -27.24706802
0.00049854 0.00014010 -0.00026819
-0.04403314 -0.00629830 0.00134301
-14.32566471 6.15383504 7.67012277
-0.00004274 0.00013901 0.00028474
0.00061545 -0.00512473 -0.00360042
-9.60192345 7.28289824 -2.53123236
0.00023640 0.00006694 0.00019696
-0.02730857 -0.00705716 -0.00010861
-1.76522202 -15.56520910 23.64691409
-0.00028929 0.00025458 -0.00035783
-0.02174939 -0.01144934 0.01182664
-2.64519656 6.30242199 -6.29039725
-0.00009649 -0.00000181 0.00008922
-0.02299147 0.02495571 -0.01935949
-20.06481697 31.02801172 4.30684045
0.00005182 -0.00024482 -0.00024788
0.00401326 -0.02963474 -0.00132461
7.60080142 0.10908048 7.88215577
-0.00000249 0.00033232 -0.00053395
0.00503566 0.02107904 0.00288077
5.65670936 11.50265045 -13.71533830
0.00030535 0.00026940 0.00041026
0.05284176 -0.02465886 0.04692776
15.56162648 2.86598522 -1.93403123
-0.00017540 -0.00021594 0.00014170
0.02202518 0.03323421 0.00825329
-4.32995712 13.50534899 -0.94792409
-0.00021912 -0.00025097 0.00019809
0.01151094 -0.01163934 0.00797598
4.59019407 12.42116006 3.13866603
0.00026992 -0.00004830 -0.00037530
0.01865245 0.04545050 -0.01696119
24.98503173 -11.67605194 -9.73721901
0.00017225 0.00013973 -0.00023701
-0.03576195 0.00264362 0.02325147
16.50287341 -3.78309935 -0.49734666
0.00016998 0.00026823 -0.00022639
0.02971435 0.00446802 -0.00182714
12.97789644 7.95829675 10.05049831
0.00011199 0.00001821 0.00022510
0.02182139 -0.00714839 -0.03729133
1.60456942 -13.96241039 17.66153852
-0.00006300 -0.00015790 -0.00004007
-0.01704065 -0.01581299 -0.01559673
-4.20707598 -0.71367980 -14.32786077
0.00043759 0.00008012 0.00019796
-0.00807949 -0.00959103 0.03542058
15.11039675 -7.79441485 -8.96204928
-0.00010475 0.00038348 0.00023239
0.02114872 0.01263373 0.03737507
8.54140713 -6.91725332 8.75348524
-0.00036879 -0.00036950 0.00033682
-0.00333191 0.03881101 -0.01392752
-21.24919170 2.30701825 22.72820468
0.00017516 -0.00007332 0.00000196
-0.00113606 -0.00181133 -0.03652217
25.72777921 -3.24600215 -7.98201560
-0.00017848 -0.00003946 -0.00025589
0.00697797 0.00849449 0.00062970
9.83613313 -14.08404099 -7.97607051
0.00005503 0.00023315 -0.00044844
-0.00219101 -0.01653386 -0.00132135
-6.60929874 -12.40976227 16.91461486
-0.00038549 -0.00032009 0.00015420
0.01411212 0.03695080 -0.00641161
8.12672340 3.38541080 -29.36409854
-0.00040592 -0.00028273 0.00001552
-0.01475925 -0.03231249 -0.00921572
10.85387476 15.39629898 15.34309508
-0.00003380 -0.00018062 0.00002092
-0.00680555 0.01447947 -0.03648625
28.60840397 6.07558203 -3.23320418
0.00010453 0.00019014 -0.00030497
0.01522806 0.00212132 0.00722082
5.48297815 -31.20823867 -3.21163377
-0.00020826 -0.00019690 0.00009348
-0.00477899 -0.00315434 -0.00657644
4.12446585 -31.63177279 -0.66301777
0.00078935 0.00051278 0.00020367
0.00164473 0.00093019 0.00987539
-11.64493679 -3.62240183 -8.68979522
0.00000867 -0.00005438 0.00025335
-0.00381763 -0.00660749 0.00084333
-12.64198606 -1.68844043 -10.67616591
-0.00008504 0.00124398 -0.00050601
-0.00013830 -0.00024765 -0.00449535
-39.09144091 2.02057340 0.93156006
-0.00000408 -0.00018259 -0.00004588
0.02382865 0.00745269 -0.00971652
-37.88811688 4.03929426 -0.94004304
-0.00045820 0.00027520 -0.00035187
0.00576507 -0.02057716 0.01258430
-10.54274015 -5.61512688 3.62731661
0.00095405 -0.00029005 -0.00022062
-0.01889407 0.01511251 -0.00047654
-10.51148086 -2.71866725 3.61957986
0.00002309 0.00036067 -0.00008861
0.00021472 0.00351352 0.00060951
5.06601417 -2.56678428 8.38271530
-0.00036290 0.00078216 -0.00053478
0.00679239 0.02288349 -0.01027317
4.77445909 -3.60116823 11.02513091
-0.00035876 0.00008828 -0.00007368
-0.00812069 0.00176460 0.01007239
-33.37159967 -1.74901368 -0.72061297
-0.00012529 0.00011307 0.00028136
-0.00291784 0.00178928 0.00498841
-32.62390310 0.57844132 0.74069155
0.00021471 0.00039358 0.00049041
-0.01906344 0.03481902 0.02931419
14.60551848 12.63686008 -15.72429407
-0.00031382 -0.00029318 0.00181407
-0.00792359 0.00412377 0.00590719
16.31059235 11.92070501 -13.48367199
0.00070028 -0.00005494 0.00002032
-0.01748147 0.01328699 -0.00242731
-8.78033658 7.18156410 1.54106585
-0.00011857 0.00042914 0.00048401
0.01632864 -0.01602455 0.00501045
-7.41530599 4.48738260 1.37645661
0.00019600 -0.00034209 -0.00025685
-0.00806632 0.04239540 0.01801810
6.18140414 12.31571555 -6.87194629
-0.00015609 -0.00000685 -0.00028908
-0.02090465 -0.00324561 -0.01212196
8.85694608 13.71026187 -6.82728182
-0.00018823 -0.00003563 0.00012172
-0.01166483 -0.01579083 0.02154258
8.46119841 8.85866966 -20.45089530
-0.00004468 -0.00017421 -0.00035339
0.00440127 0.00283199 0.00117887
10.06425092 11.20055103 -19.53939496
-0.00049091 0.00050336 -0.00106116
-0.00047023 -0.01786898 0.00589824
23.71652047 15.59271369 -2.57076496
-0.00044707 0.00059654 0.00021962
0.01357211 -0.01415662 -0.00895848
24.97858103 18.18893785 -2.29436043
0.00002569 0.00010844 0.00040243
-0.00368932 0.00368689 -0.00294299
1.41386261 16.74053447 -21.24463666
0.00077973 0.00037096 0.00028008
0.01509882 0.00414598 0.01106748
3.04596964 15.19482103 -19.07928747
0.00121561 0.00023861 -0.00007191
-0.00787385 0.02157616 -0.01529223
12.73955579 -0.54802451 -6.71053865
-0.00074895 0.00002740 0.00066275
-0.00079819 -0.01565791 0.00411002
13.37583067 -1.25999821 -3.86922008
-0.00021069 0.00058317 0.00000972
-0.00883002 0.00592892 0.00224278
-17.30391674 -2.76675222 2.90075817
-0.00108219 0.00076030 -0.00141650
-0.02398241 -0.00676606 -0.00303067
-14.64254226 -2.58391439 3.61500868
0.00033518 0.00036578 -0.00012443
0.00132855 0.00786186 -0.00934151
-16.24515154 -0.46214824 20.10239940
-0.00093997 -0.00032205 0.00060872
-0.00206793 0.00955079 0.00288375
-15.52629679 -3.12348428 19.44295421
0.00053236 -0.00072217 0.00040615
0.02222196 -0.02071221 0.00857537
-0.79424726 0.65355375 -5.11859753
0.00061495 -0.00072634 0.00045762
-0.00586690 -0.02338810 0.00035507
-0.77472069 3.49321064 -5.00572362
0.00045995 0.00008697 0.00000688
0.01474364 -0.01294201 0.00332343
23.47426291 -8.80243413 -9.20993852
0.00097984 -0.00014436 0.00026281
-0.01322294 0.02155854 0.00407657
23.91821381 -5.84254732 -8.72904783
0.00102555 -0.00054394 -0.00029298
-0.01512517 -0.01262802 0.00384622
0.37061902 -5.93354277 5.74872529
-0.00056202 -0.00069223 -0.00029362
-0.00585589 -0.00447181 0.00819541
0.14257359 -5.43104004 8.60909573
0.00066583 -0.00126488 0.00065436
-0.00077845 -0.00939652 -0.00630125
-0.78598394 -2.91361892 -18.80285681
0.00032897 0.00092786 -0.00051099
-0.01632377 0.01829842 -0.01624526
-3.04709930 -1.86876892 -20.62619679
-0.00033196 0.00049871 -0.00043555
0.01183687 -0.00538985 0.01436515
2.64137336 2.27089123 -10.95525627
-0.00023113 0.00057496 0.00015614
-0.01086360 0.01424428 -0.02897508
2.12787849 2.78877637 -8.03311482
0.00080018 -0.00057133 -0.00002248
-0.00228044 -0.01047327 -0.00450806
-2.45159874 16.69233466 12.42410692
0.00088870 -0.00043415 -0.00020684
0.02553725 -0.01005386 0.00748050
-3.46378129 19.29649405 13.46876546
0.00015170 -0.00041761 0.00071679
-0.00419177 -0.02896330 -0.01063410
-4.75522604 6.28116860 -11.94532098
-0.00030561 -0.00055003 0.00196761
-0.00921914 0.01346031 0.00325464
-3.47095483 3.84393085 -12.43966521
-0.00121107 0.00058825 0.00093892
0.00411101 -0.01239323 0.00225556
-7.87844301 2.11771358 -7.39367368
0.00040916 -0.00030520 0.00055278
0.00927460 0.00313926 -0.00278502
-6.24940427 3.53601082 -9.46041963
-0.00066856 -0.00069432 0.00038950
-0.02842738 -0.01002293 0.01105223
2.53127460 28.30426808 6.99956411
0.00114605 0.00013783 -0.00046885
-0.00499196 -0.00481232 0.00615838
0.61737532 28.03144717 9.23795500
0.00089413 0.00059118 0.00019931
0.01242723 -0.00231199 -0.00869087
10.63645743 -7.43626315 -0.79732580
-0.00035477 0.00017013 -0.00062887
0.00668113 0.00237777 0.00813010
8.68809550 -7.23265142 -2.86989705
-0.00009784 0.00051641 -0.00019492
-0.00253557 0.00055672 0.00238673
-6.92959386 0.55583652 6.27805259
-0.00038845 0.00056032 0.00011009
-0.01214269 -0.00819637 0.00573318
-9.48341270 -0.61103181 6.82250082
-0.00060566 0.00042575 0.00031299
-0.01760625 -0.03157151 0.02535026
21.74833447 10.07759443 9.80978831
0.00032412 0.00017596 0.00010647
0.00159778 0.00373827 0.00981740
21.01283962 12.35829055 8.22065533
-0.00013419 -0.00054921 0.00041186
0.00027384 0.01736662 -0.00122563
-1.58578760 -3.64346887 -26.50987869
0.00062054 -0.00096833 0.00019942
0.00660454 0.00693034 0.00223508
-4.16625556 -2.18984429 -26.78118312
-0.00007847 0.00005360 -0.00006850
0.03293394 0.00267675 -0.00629773
-14.03457801 7.19808830 9.14535400
0.00070179 -0.00024932 0.00047657
-0.00293596 0.00147298 -0.00515940
-15.39634715 7.14707741 6.55159341
-0.00065604 -0.00027105 0.00026718
0.01020697 -0.00121821 0.00983670
-11.22901157 7.26354947 -3.38607455
-0.00054222 0.00085257 0.00088397
0.00126330 -0.00392488 0.01002692
-8.66974062 8.31527539 -3.72618478
0.00089937 0.00009862 0.00005072
0.01270308 0.00307972 0.00071336
-1.24690310 -17.33803649 23.38739086
0.00043478 0.00080577 -0.00042381
0.01217092 0.00632488 -0.00466472
-3.53699187 -15.79777764 24.19476710
0.00132466 0.00055854 -0.00114919
0.01425355 0.01213838 -0.00587696
-2.42539449 5.99002712 -8.12810989
0.00090882 0.00069205 0.00043199
-0.00618383 0.00229940 0.02023591
-4.10110462 7.57442428 -6.21872132
-0.00087407 -0.00079984 0.00044635
0.02203538 -0.02492068 0.00408386
-21.24581341 30.38813544 3.07721822
-0.00058914 -0.00123849 0.00009482
-0.01023784 -0.01641136 -0.02044543
-21.24140510 31.58436627 5.50553411
0.00053349 -0.00152981 0.00002605
-0.02013543 0.01640944 0.02995085
7.10784697 -0.11096241 6.12926906
0.00027702 -0.00087333 0.00044946
-0.00566434 -0.00606328 -0.00784907
7.61203109 1.95980168 7.99645801
0.00046678 0.00022487 0.00025872
-0.00299879 -0.00916343 0.00685525
7.03920263 12.72208848 -14.10327660
0.00016249 -0.00038883 -0.00044098
-0.00802168 -0.00026118 0.01129134
4.41269758 11.83167965 -14.83165837
-0.00040309 -0.00026971 -0.00030393
-0.05072546 0.01702158 -0.04992660
14.50262176 3.75243455 -3.12569875
-0.00013568 -0.00017711 0.00002129
-0.00222986 0.00057960 0.00559868
15.11400026 1.15436429 -1.90248574
-0.00043082 -0.00091622 -0.00009863
-0.00895714 -0.02118286 -0.00280947
-2.61726531 13.29999131 -0.35375771
0.00004146 -0.00051301 0.00016020
0.00377217 0.00064181 -0.00839021
-5.24433349 12.84954091 0.52624732
-0.00024090 -0.00007394 0.00075019
-0.01180544 0.00494492 -0.00647847
3.84383908 10.82174581 3.51488625
-0.00059231 -0.00102787 0.00038502
-0.01702241 -0.01888403 0.00412685
6.39076257 12.06339855 3.22473660
-0.00059483 -0.00054523 -0.00085347
0.00265434 -0.00148835 0.00098900
25.15932000 -12.85155542 -8.34186473
-0.00023173 0.00105050 0.00029919
0.00639414 0.00015604 -0.00668119
26.31735017 -11.51294319 -10.93449551
0.00098135 -0.00010774 -0.00069542
0.02745784 -0.00522307 -0.01550945
14.75398766 -3.97312392 -0.74212720
-0.00000694 0.00067134 0.00089597
-0.02144790 0.00027670 0.00241429
17.19285416 -5.47936892 -0.75501699
0.00048363 -0.00072489 0.00028383
-0.00283466 -0.00017468 0.00133386
12.37528423 7.98849122 11.72121464
0.00070999 0.00036596 -0.00032690
-0.01599100 0.00167916 0.03016949
13.38019793 9.67544119 9.51115277
0.00052870 0.00041137 0.00114936
-0.00493542 0.00182927 0.00035413
-0.19983200 -14.34603308 17.19087453
0.00014120 -0.00038000 0.00015636
0.01974140 -0.01114093 0.00022861
1.42573886 -12.29443613 18.24215272
-0.00025166 -0.00035662 -0.00000599
0.00914932 0.02791572 0.01268343
-3.80131945 -2.37856593 -13.59937030
0.00028319 -0.00077445 0.00041587
-0.00994479 0.01314438 0.00304466
-3.31329961 -0.73718542 -15.84197799
-0.00058634 -0.00088877 0.00039470
0.02487705 -0.00020226 -0.04167606
14.13713902 -8.18359959 -10.37070739
0.00090766 -0.00006113 -0.00017514
-0.01098472 -0.00768097 -0.04337410
16.41286967 -6.43181171 -9.41825769
0.00079376 0.00064028 -0.00090353
-0.01955876 -0.00835805 0.00497359
7.11312177 -5.67308608 9.05269629
-0.00074264 -0.00030939 -0.00048573
0.00942573 -0.02485297 -0.00149774
9.34983856 -6.04370669 7.32595059
0.00074770 -0.00075629 -0.00031031
0.00247939 -0.01031465 0.00983694
-21.53679113 1.92168408 20.86667296
-0.00068472 0.00036310 0.00043598
0.00839668 0.00964214 0.02926959
-21.89827018 0.83092109 23.59422412
-0.00055037 0.00083597 0.00134687
-0.00591863 -0.00515286 0.00407292
26.64892790 -3.02488660 -6.40435716
0.00035856 0.00005517 -0.00042291
-0.00565008 0.00379763 -0.00233998
25.14581566 -1.53904644 -8.41278616
0.00031446 -0.00035643 -0.00031547
0.00383023 -0.00229839 0.00342436
9.20655913 -15.84646545 -7.65433410
0.00052558 -0.00019256 -0.00002924
0.00964413 0.02852726 -0.00165581
8.93469223 -12.81491915 -6.99999436
0.00072941 -0.00024882 0.00034795
-0.00115077 -0.00688661 0.00119272
-5.85992920 -11.10808929 18.04387619
-0.00020063 0.00029243 0.00062060
-0.00440349 -0.01541623 -0.00715211
-7.33470576 -11.33909372 15.57943801
0.00030091 -0.00013812 -0.00006387
0.00718413 -0.00666377 0.00352478
8.52563018 1.56577300 -29.36735359
-0.00033802 -0.00089618 0.00032113
0.00999767 0.01616635 0.00116997
6.50960605 3.26573669 -30.27599727
-0.00034518 0.00056688 0.00123896
0.00018197 0.00536293 0.00124625
12.48624343 15.36038283 14.45413348
0.00048351 0.00082777 0.00033562
0.01692095 -0.00605538 0.00483994
11.04389136 15.86115248 17.05465893
0.00018870 0.00001014 0.00099254
0.01142638 0.00940178 0.02580802
29.43954288 4.83321675 -4.35198789
-0.00012211 -0.00018887 -0.00001674
-0.01706437 0.00973153 -0.00095789
26.90557922 6.47036881 -3.76617151
0.00054665 -0.00036547 -0.00030938
-0.00396476 -0.00163117 -0.00566900
-9.94423007 4.85340938 6.77444421
0.00001985 -0.00005004 -0.00024154
-0.00275627 0.00898218 -0.00091970
-8.70256199 13.29675811 2.59607734
-0.00006520 0.00006820 0.00000377
-0.00385544 0.00010164 -0.00144457
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09530649
0.30776865
410.08629635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.4059830077 (a.u.)
total exchange computation time: 2.6909849644 s
-154.2446576285
-931.40389973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.956 s
total exchange = -52.4054992519 (a.u.)
total exchange computation time: 2.6912460327 s
-154.2498171152
Anderson extrapolation: theta=1.3639855435 (1.3639855435)
-931.40409186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.4047336827 (a.u.)
total exchange computation time: 2.6912209988 s
-154.2578086559
Anderson extrapolation: theta=0.0570951407 (0.0570951407)
-931.40420946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.956 s
total exchange = -52.4046105875 (a.u.)
total exchange computation time: 2.6917991638 s
-154.2590094211
Anderson extrapolation: theta=2.0574284832 (2.0000000000)
-931.40421452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.4043498202 (a.u.)
total exchange computation time: 2.6908900738 s
-154.2615039420
Anderson extrapolation: theta=0.2675454056 (0.2675454056)
-931.40422037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.958 s
total exchange = -52.4042851350 (a.u.)
total exchange computation time: 2.6924500465 s
-154.2620879168
Anderson extrapolation: theta=1.6491254416 (1.6491254416)
-931.40422167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.958 s
total exchange = -52.4042072058 (a.u.)
total exchange computation time: 2.6912360191 s
-154.2627601165
Anderson extrapolation: theta=0.3308752578 (0.3308752578)
-931.40422312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.958 s
total exchange = -52.4042089015 (a.u.)
total exchange computation time: 2.6916270256 s
-154.2627121208
Anderson extrapolation: theta=1.1659667138 (1.1659667138)
-931.40422355
-71.468565 23.118732 142.211804
559.399012 1031.433763 -412.054628
487.930447 1054.552496 -269.842824
1192.884000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.4042297750 (a.u.)
total exchange computation time: 2.6537430286 s
679.38346900
-1084.69208766
89.81610771
-388.55723210
-174.95025108
78.81655001
551.60419304
0.00000000
-931.40422390
3.94779861 -30.80902118 -2.27756111
0.00014202 -0.00034624 0.00000601
0.00655127 -0.01629763 -0.00157852
-11.56874488 -1.87872018 -9.22441949
0.00023633 0.00039105 -0.00008894
-0.00720367 0.00870456 -0.00093751
-37.46744114 2.46559651 0.08879032
-0.00002466 -0.00012993 0.00028064
-0.02899900 0.01300510 -0.00515697
-11.69855403 -4.09081859 3.84697962
-0.00026539 -0.00015750 0.00011731
0.03014790 -0.01970265 0.00305493
4.32572711 -3.92937966 9.27809346
-0.00036693 -0.00021964 -0.00027651
0.00082466 -0.01367207 -0.00146272
-32.03708827 -0.53021806 -0.45483081
-0.00045903 0.00045135 0.00032859
0.00541407 -0.04662984 -0.03209338
14.58981528 12.60734965 -13.86547831
-0.00059591 -0.00002010 0.00008776
0.03745683 -0.02105092 0.01112522
-7.70284452 6.03249905 2.55628452
-0.00004550 0.00017507 0.00014023
-0.00377802 -0.03094158 -0.02546786
7.57387406 12.56899653 -5.79118534
-0.00000238 -0.00013574 -0.00031832
0.01483762 0.00457354 -0.00365898
8.85829204 9.87135987 -18.97407006
-0.00010595 0.00009059 0.00020092
0.00648351 0.00802932 -0.01526825
23.36276857 17.30750781 -2.17553208
-0.00011774 -0.00008629 -0.00012686
-0.02721677 0.03028202 0.00763177
2.23189931 16.88026437 -19.54765453
-0.00025163 -0.00010856 -0.00038866
0.00163756 -0.02083950 0.01934178
14.01276230 -1.22554756 -5.56770522
0.00006559 0.00024353 -0.00041525
0.00706013 0.00019827 -0.00280682
-16.07222851 -1.46729196 3.18941389
0.00011110 0.00029945 0.00006633
0.01397183 -0.01438168 0.01097251
-16.75260349 -1.90664445 19.07020291
0.00046404 -0.00017963 -0.00046792
-0.00853058 0.00644139 -0.00427890
0.39958859 2.01627495 -4.96469062
0.00001066 0.00001626 0.00017189
-0.00814286 0.04239383 0.00174985
22.57662891 -7.15296981 -8.87604366
0.00008658 0.00015722 0.00013336
0.02552767 -0.01135455 -0.00655367
-0.64589367 -6.39207607 7.24223724
-0.00014502 0.00018599 -0.00005305
0.00879852 0.00754344 -0.00124091
-1.76830115 -1.39711080 -19.33585605
0.00016598 -0.00007487 -0.00000229
-0.00419217 -0.01219481 -0.00037905
3.23481374 2.02776005 -9.30725681
-0.00013543 -0.00031303 0.00006081
0.02066323 -0.01085157 0.03230078
-3.83764215 17.84947746 12.30119900
-0.00023273 -0.00018231 0.00006870
-0.00259380 0.03138939 0.00184812
-3.85694679 4.97661658 -11.06750409
-0.00007221 0.00001255 -0.00013724
0.01509153 -0.00068407 -0.00306006
-7.99958665 2.99595656 -8.98379066
0.00022217 -0.00024177 -0.00007820
0.01107428 0.00552878 -0.00052319
2.23470139 27.41633990 8.59049111
0.00021433 0.00011387 0.00025374
-0.00915932 0.00496197 -0.00329137
9.82836162 -6.20088152 -1.87121279
-0.00026224 -0.00014838 0.00018686
-0.00613408 0.00276015 -0.01000705
-8.75735770 0.75401159 6.00392598
0.00015534 0.00012062 0.00009674
0.01850357 0.03296905 -0.02754425
20.35331676 10.79930546 8.88518882
-0.00005899 0.00018922 -0.00010009
-0.00186344 -0.02243545 -0.00380710
-2.31429531 -2.12441557 -27.25108572
0.00047594 0.00013509 -0.00026655
-0.04387925 -0.01319270 0.00503754
-14.32630345 6.15590047 7.67438000
-0.00004246 0.00013631 0.00028277
0.00049291 -0.00537332 -0.00404808
-9.59848272 7.28387517 -2.52827832
0.00022216 0.00006366 0.00019637
-0.02809678 -0.00572618 -0.00218518
-1.76964529 -15.56143462 23.64159227
-0.00029736 0.00024958 -0.00035263
-0.00963012 -0.00799269 0.00840774
-2.64673265 6.30249115 -6.28913366
-0.00010836 0.00001105 0.00007993
-0.02314624 0.02504491 -0.01676596
-20.06402414 31.02422511 4.30311720
0.00005392 -0.00026082 -0.00025002
0.00413047 -0.03256918 -0.00699558
7.60078345 0.11414666 7.87415759
0.00000064 0.00034299 -0.00053059
0.00714101 0.02038178 0.01021165
5.66149341 11.50659635 -13.70900335
0.00032964 0.00025680 0.00043246
0.04163645 -0.02435863 0.03939243
15.55908041 2.86287425 -1.93187387
-0.00016457 -0.00020058 0.00014592
0.02009622 0.02652732 0.00814915
-4.33319947 13.50153950 -0.94492196
-0.00021302 -0.00025717 0.00020283
0.01221086 -0.01246670 0.01046721
4.59431486 12.42061095 3.13297113
0.00027695 -0.00002702 -0.00038351
0.00869170 0.03728729 -0.01495904
24.98747754 -11.67394582 -9.74068440
0.00015511 0.00014161 -0.00022665
-0.03088242 0.00465482 0.01702562
16.50553767 -3.77905859 -0.50074955
0.00018592 0.00026923 -0.00022757
0.03228116 -0.00060048 -0.00275477
12.97966053 7.95854232 10.05373092
0.00012377 0.00001503 0.00020459
0.02397952 -0.00520207 -0.04245727
1.60355862 -13.96483994 17.66087726
-0.00007147 -0.00016613 -0.00004809
-0.01587952 -0.01618736 -0.01557964
-4.20054328 -0.71251494 -14.32475469
0.00043301 0.00007397 0.00021793
-0.00975289 -0.01433519 0.04222709
15.10890704 -7.78861396 -8.95841929
-0.00009314 0.00039076 0.00025118
0.02399875 0.01569612 0.03570773
8.53586236 -6.92264610 8.75848381
-0.00036990 -0.00034893 0.00032860
-0.00096458 0.04118071 -0.01804680
-21.24656872 2.30591145 22.72809327
0.00017452 -0.00007408 -0.00001591
-0.00132892 -0.00114867 -0.03298586
25.72512899 -3.24656136 -7.98585152
-0.00017441 -0.00003574 -0.00025513
0.00881438 0.00599372 0.00231482
9.83695014 -14.08060746 -7.98280222
0.00005397 0.00022392 -0.00044926
-0.00191813 -0.01938719 -0.00187362
-6.61502669 -12.41442109 16.91690310
-0.00037760 -0.00030025 0.00015160
0.01656147 0.04020314 -0.00369726
8.12057763 3.38104515 -29.36390127
-0.00041214 -0.00030002 0.00001152
-0.00941416 -0.03489224 -0.00632842
10.85334146 15.39364559 15.34326811
-0.00003652 -0.00017238 0.00000434
-0.00374720 0.01755999 -0.02799573
28.61003063 6.07844225 -3.23775088
0.00011319 0.00019095 -0.00030091
0.01845492 0.00103543 0.00857117
5.47970786 -31.21128885 -3.21043306
-0.00022356 -0.00021076 0.00006403
-0.00270993 -0.00363092 -0.00784168
4.13635645 -31.62405251 -0.65966018
0.00079579 0.00051554 0.00024601
0.00150920 0.00042000 0.01085200
-11.64492377 -3.62342002 -8.68596920
-0.00000757 -0.00007370 0.00025311
-0.00412974 -0.00285050 -0.00095789
-12.64326584 -1.66978834 -10.68389384
-0.00007998 0.00124019 -0.00051603
0.00261297 -0.00160640 -0.00041097
-39.09077193 2.01806289 0.93057411
0.00009120 -0.00015270 -0.00008391
0.02281347 0.00717817 -0.00890105
-37.89481320 4.04279171 -0.94493540
-0.00043247 0.00018541 -0.00029652
0.00683018 -0.02337535 0.01450798
-10.52900840 -5.61901458 3.62399270
0.00087149 -0.00022320 -0.00022157
-0.02152066 0.01761445 0.00001317
-10.51112790 -2.71314956 3.61826933
0.00001777 0.00036829 -0.00008474
-0.00281788 0.00021715 0.00128582
5.06077884 -2.55435062 8.37437885
-0.00034172 0.00086300 -0.00056832
0.00357652 0.01668569 -0.00614673
4.76882891 -3.59979002 11.02433433
-0.00039252 0.00009467 -0.00003632
-0.00840945 0.00136733 0.00821482
-33.37356844 -1.74726278 -0.71623968
-0.00013777 0.00012134 0.00030266
-0.00318873 0.00225674 0.00543726
-32.62126661 0.58541201 0.74894601
0.00013586 0.00053601 0.00061112
-0.01953643 0.03490266 0.02977280
14.60056833 12.63258874 -15.69690194
-0.00034701 -0.00027569 0.00181323
-0.00832007 0.00443880 -0.00632132
16.32056091 11.92028813 -13.48344158
0.00061603 0.00000407 0.00000847
-0.02376300 0.01559640 -0.00337260
-8.78161478 7.18751018 1.54847952
-0.00005205 0.00036316 0.00050360
0.01623273 -0.01627308 0.00457982
-7.41261323 4.48355035 1.37315604
0.00016169 -0.00016411 -0.00018054
-0.00872431 0.04472631 0.01933598
6.17842219 12.31551336 -6.87665396
-0.00023910 -0.00001970 -0.00033730
-0.01972971 -0.00304647 -0.01148039
8.85376522 13.70924348 -6.82479591
-0.00023476 -0.00009964 0.00020773
-0.01111390 -0.01554274 0.02056006
8.46066308 8.85614334 -20.45616004
-0.00002555 -0.00015881 -0.00034118
0.00496230 0.00470528 0.00479983
10.05687281 11.20755389 -19.55513157
-0.00049553 0.00042747 -0.00103389
-0.00178939 -0.01928261 0.00744839
23.71023027 15.60122792 -2.56774513
-0.00038887 0.00052629 0.00018024
0.01491833 -0.02022674 -0.01031947
24.97885329 18.19067745 -2.28841415
0.00000854 0.00012195 0.00038946
-0.00470484 0.00292378 -0.00340833
1.42602128 16.74622589 -21.24009636
0.00083545 0.00038507 0.00031481
0.01217436 0.00275988 0.00593276
3.06396256 15.19906138 -19.08083471
0.00118075 0.00032868 -0.00013618
-0.00919058 0.02251042 -0.01616965
12.72829712 -0.54809331 -6.70047142
-0.00075331 -0.00003531 0.00067561
-0.00133811 -0.01504005 0.00218304
13.37239968 -1.25106893 -3.86900550
-0.00024260 0.00060644 0.00001224
-0.00678996 0.00546029 -0.00101083
-17.32088456 -2.75555513 2.87941779
-0.00116872 0.00074003 -0.00142554
-0.01837122 -0.00315439 -0.00139447
-14.63747381 -2.57818670 3.61285593
0.00033722 0.00039644 -0.00016329
-0.00032972 0.00714607 -0.00967868
-16.25931452 -0.46668633 20.11161855
-0.00094753 -0.00028503 0.00061919
-0.00163173 0.00856847 0.00224357
-15.51763048 -3.13495157 19.44930924
0.00061468 -0.00079739 0.00043925
0.01807323 -0.01610601 0.00762848
-0.78520279 0.64194204 -5.11172236
0.00059149 -0.00081834 0.00045913
-0.00561538 -0.02164998 0.00038221
-0.76736970 3.49411858 -5.00551856
0.00051721 0.00003447 0.00002008
0.01328818 -0.01275635 0.00313685
23.48855535 -8.80393888 -9.20587147
0.00092092 -0.00005274 0.00027982
-0.01562141 0.02328794 0.00425153
23.93313361 -5.85109337 -8.73332464
0.00096091 -0.00059403 -0.00027684
-0.01651729 -0.01189125 0.00405146
0.36200931 -5.94406328 5.74457215
-0.00058347 -0.00070815 -0.00026127
-0.00464349 -0.00331829 0.00764069
0.15253722 -5.45030111 8.61871811
0.00066278 -0.00130284 0.00062548
-0.00071564 -0.00918540 -0.00783895
-0.78154956 -2.89914034 -18.81101953
0.00026736 0.00099251 -0.00057440
-0.01383743 0.01334745 -0.01479285
-3.05171597 -1.86145336 -20.63228983
-0.00027895 0.00047682 -0.00037272
0.01411149 -0.00532917 0.01639020
2.63757351 2.27995205 -10.95380203
-0.00027460 0.00063303 0.00004019
-0.01041509 0.01418380 -0.02778422
2.13981130 2.77988556 -8.03359013
0.00078420 -0.00060965 -0.00003402
-0.00554246 -0.00828747 -0.00113977
-2.43748574 16.68551437 12.42123348
0.00098074 -0.00046544 -0.00017750
0.01952009 -0.00526528 0.00688269
-3.46163426 19.28934244 13.47919147
0.00013340 -0.00053707 0.00067175
-0.00476483 -0.02951585 -0.01141154
-4.76009268 6.27333059 -11.91570709
-0.00035370 -0.00048038 0.00197019
-0.01432057 0.02063530 -0.00199030
-3.48899491 3.85237487 -12.42551230
-0.00118970 0.00052424 0.00093058
0.00635200 -0.01893937 -0.00633818
-7.87202147 2.11323183 -7.38546733
0.00044571 -0.00028861 0.00053331
0.00861646 0.00497819 -0.00674325
-6.26030377 3.52528885 -9.45423851
-0.00077208 -0.00073114 0.00043098
-0.02224418 -0.00799779 0.00925659
2.54831241 28.30618806 6.99272010
0.00112281 0.00011279 -0.00043334
-0.00638714 -0.00744668 0.01122333
0.63116809 28.04024402 9.24067835
0.00093841 0.00058425 0.00016564
0.00924811 -0.00107937 -0.00778999
10.63134062 -7.43363832 -0.80650966
-0.00032264 0.00017194 -0.00058890
0.00904877 -0.00149435 0.01143445
8.68655021 -7.22488826 -2.87274768
-0.00011076 0.00051604 -0.00018701
-0.00378797 -0.00073806 0.00148601
-6.93579272 0.56399012 6.27987966
-0.00043052 0.00052500 0.00013508
-0.00844918 -0.00908958 0.00649995
-9.49303709 -0.60561296 6.82797249
-0.00067454 0.00030103 0.00041420
-0.01611344 -0.02948044 0.02419418
21.75324518 10.08034831 9.81168623
0.00032529 0.00019318 0.00014374
-0.00102248 0.00469518 0.00842628
21.01083521 12.35058454 8.22679571
-0.00012888 -0.00046680 0.00040146
0.00232186 0.02297321 -0.00386683
-1.57627707 -3.65778138 -26.50681894
0.00064138 -0.00092643 0.00020222
0.00359685 0.01357643 -0.00086292
-4.16642341 -2.18895828 -26.78240359
0.00006201 0.00006479 -0.00009550
0.03583093 0.00280038 -0.00692057
-14.02414114 7.19439357 9.15234440
0.00068874 -0.00024270 0.00045413
-0.00345339 0.00177022 -0.00582178
-15.40587491 7.14297435 6.55590257
-0.00061245 -0.00027615 0.00030978
0.01112730 -0.00127915 0.01101569
-11.23710617 7.27621771 -3.37250770
-0.00053111 0.00083712 0.00092634
0.00417547 -0.00363513 0.01071199
-8.65586074 8.31684911 -3.72540212
0.00094604 0.00010752 0.00005684
0.01013780 0.00127485 0.00228106
-1.24000841 -17.32575608 23.38089084
0.00048494 0.00082741 -0.00044333
0.01238283 0.00426441 -0.00489484
-3.51668520 -15.78902759 24.17734923
0.00135847 0.00060466 -0.00116535
0.00229823 0.01043683 -0.00203733
-2.41195175 6.00047839 -8.12100994
0.00088281 0.00070049 0.00051023
-0.00654743 0.00183136 0.01806442
-4.11354050 7.56166305 -6.21190098
-0.00078288 -0.00090108 0.00046202
0.02260346 -0.02463632 0.00358709
-21.25496424 30.36905525 3.07801399
-0.00062565 -0.00130188 0.00001587
-0.00763359 -0.01462163 -0.01819867
-21.23401971 31.56192196 5.50684267
0.00044572 -0.00145977 0.00015494
-0.02282907 0.01787406 0.03314282
7.11182870 -0.12424820 6.13577046
0.00025063 -0.00089635 0.00040561
-0.00725268 -0.00520430 -0.01361658
7.61894083 1.96289398 8.00054890
0.00045345 0.00018763 0.00028384
-0.00352352 -0.00906837 0.00544089
7.04139416 12.71624803 -14.10954535
0.00013319 -0.00038627 -0.00039531
-0.00631852 0.00151186 0.01106522
4.40509682 11.82815553 -14.83774716
-0.00059191 -0.00020524 -0.00049186
-0.04170452 0.01454158 -0.04206870
14.50051821 3.74979567 -3.12520782
-0.00014446 -0.00017508 0.00004483
-0.00206811 0.00041585 0.00592567
15.10726341 1.13997193 -1.90405124
-0.00046359 -0.00098814 -0.00011006
-0.00707979 -0.01402293 -0.00278634
-2.61652775 13.29231581 -0.35161188
0.00005316 -0.00051001 0.00012470
0.00195250 0.00082591 -0.00898318
-5.24830874 12.84858333 0.53730159
-0.00028698 -0.00005198 0.00071987
-0.01075224 0.00580542 -0.00836252
3.83443285 10.80574905 3.52078808
-0.00065404 -0.00108609 0.00039699
-0.01319632 -0.00961380 0.00173046
6.38192143 12.05517450 3.21196490
-0.00057250 -0.00055276 -0.00084846
0.00827762 -0.00219981 0.00146305
25.15603992 -12.83579313 -8.33758156
-0.00020484 0.00104820 0.00027452
0.00676931 -0.00127979 -0.00539565
26.33291182 -11.51471931 -10.94540209
0.00108276 -0.00012980 -0.00074877
0.02218102 -0.00557822 -0.01060314
14.75322631 -3.96304529 -0.72861361
-0.00009361 0.00067153 0.00090611
-0.02097790 -0.00018763 0.00254706
17.20002174 -5.49024767 -0.75071862
0.00046591 -0.00071433 0.00029055
-0.00584054 0.00534366 0.00195409
12.38544403 7.99403206 11.71723562
0.00064048 0.00037143 -0.00019214
-0.01803186 0.00099857 0.03579926
13.38797722 9.68166779 9.52840404
0.00050806 0.00041564 0.00114938
-0.00517047 0.00026267 -0.00034736
-0.19710912 -14.35207452 17.19322692
0.00021922 -0.00042566 0.00015671
0.01845076 -0.01121016 -0.00005459
1.42224434 -12.29893007 18.24245158
-0.00021480 -0.00024251 0.00004600
0.00889148 0.02794491 0.01276654
-3.79737634 -2.38977991 -13.59303897
0.00024035 -0.00071098 0.00042478
-0.01102539 0.01792369 0.00131655
-3.32133235 -0.75052316 -15.83733460
-0.00047943 -0.00088962 0.00021441
0.02745642 -0.00021432 -0.04657595
14.15041729 -8.18475199 -10.37466360
0.00086136 -0.00009358 -0.00035194
-0.01167730 -0.00819895 -0.04316869
16.42417679 -6.42246356 -9.43165817
0.00070916 0.00060169 -0.00087886
-0.02185431 -0.01053220 0.00709878
7.10227097 -5.67848846 9.04536450
-0.00070235 -0.00041090 -0.00049248
0.01029761 -0.02484013 -0.00180615
9.36112999 -6.05536710 7.32159744
0.00075176 -0.00080207 -0.00026126
-0.00048939 -0.01209637 0.01417270
-21.54680457 1.92742611 20.87410954
-0.00065087 0.00039976 0.00055146
0.00817327 0.00830323 0.02726156
-21.90670712 0.84330278 23.61455193
-0.00057384 0.00081638 0.00136029
-0.00557068 -0.00443782 0.00249602
26.65413323 -3.02394262 -6.41077246
0.00033452 0.00007013 -0.00043395
-0.00612040 0.00352253 -0.00306844
25.15064999 -1.54446335 -8.41741327
0.00032758 -0.00036011 -0.00030313
0.00259007 0.00049831 0.00261707
9.21473835 -15.84847967 -7.65482351
0.00056574 -0.00007319 -0.00003657
0.01001414 0.02990387 -0.00192950
8.94559818 -12.81886246 -6.99473859
0.00072276 -0.00027435 0.00035447
-0.00210572 -0.00561114 0.00199797
-5.86307361 -11.10417528 18.05296609
-0.00022209 0.00022296 0.00058600
-0.00609900 -0.01858828 -0.00978681
-7.32997191 -11.34136965 15.57858798
0.00032936 -0.00016503 -0.00004995
0.00674151 -0.00651227 0.00328972
8.52086630 1.55282572 -29.36250079
-0.00030027 -0.00082229 0.00032479
0.00848095 0.02000304 0.00062093
6.50443389 3.27440421 -30.25737464
-0.00035156 0.00058660 0.00123890
-0.00330571 0.00428887 -0.00127894
12.49401463 15.37261375 14.45931615
0.00054957 0.00080194 0.00035548
0.01541491 -0.00658659 0.00487797
11.04707193 15.86159268 17.07033781
0.00023265 0.00004372 0.00108015
0.01008750 0.00703549 0.01708056
29.43718828 4.83068194 -4.35226842
-0.00019043 -0.00014954 -0.00002094
-0.01637979 0.00951729 -0.00109569
26.91365750 6.46483681 -3.77098599
0.00052279 -0.00036993 -0.00033437
-0.00771413 -0.00055065 -0.00656305
-9.94393974 4.85268283 6.77081860
0.00001886 -0.00004678 -0.00024187
-0.00273656 0.00925284 -0.00093391
-8.70354672 13.29778127 2.59613140
-0.00006610 0.00006825 0.00000342
-0.00391033 0.00030430 -0.00154622
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09500304
0.30922085
412.02128495
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.047 s
total exchange = -52.3994450645 (a.u.)
total exchange computation time: 2.6723620892 s
-154.2184106936
-931.40375247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.050 s
total exchange = -52.3989989491 (a.u.)
total exchange computation time: 2.6721119881 s
-154.2231126031
Anderson extrapolation: theta=1.3692704942 (1.3692704942)
-931.40393946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.048 s
total exchange = -52.3982596057 (a.u.)
total exchange computation time: 2.6727211475 s
-154.2306445351
Anderson extrapolation: theta=0.0592818692 (0.0592818692)
-931.40405448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3981163723 (a.u.)
total exchange computation time: 2.6757810116 s
-154.2319617582
Anderson extrapolation: theta=2.1082466118 (2.0000000000)
-931.40405960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3978025568 (a.u.)
total exchange computation time: 2.6743528843 s
-154.2347811998
Anderson extrapolation: theta=0.2920934613 (0.2920934613)
-931.40406554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.050 s
total exchange = -52.3977080275 (a.u.)
total exchange computation time: 2.6741628647 s
-154.2355806946
Anderson extrapolation: theta=1.4516801632 (1.4516801632)
-931.40406685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.051 s
total exchange = -52.3975955088 (a.u.)
total exchange computation time: 2.6725509167 s
-154.2364906794
Anderson extrapolation: theta=0.3556864318 (0.3556864318)
-931.40406812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.053 s
total exchange = -52.3975811605 (a.u.)
total exchange computation time: 2.6741189957 s
-154.2365682777
Anderson extrapolation: theta=1.0382937806 (1.0382937806)
-931.40406851
-71.440595 23.042648 142.252051
559.433858 1031.419251 -411.989598
487.993263 1054.461900 -269.737547
1192.805796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290859924
ExchangeOperator: bisection time: 3.054 s
total exchange = -52.3975856919 (a.u.)
total exchange computation time: 2.6730818748 s
679.29154927
-1084.47775669
89.81648995
-388.70330772
-174.93345791
78.69790867
551.60419304
0.00000000
-931.40406879
3.94995425 -30.81427761 -2.27747705
0.00014485 -0.00035427 0.00000538
0.00445393 -0.01495310 -0.00086482
-11.56522777 -1.87282091 -9.22575714
0.00023197 0.00039486 -0.00008996
-0.00972571 0.00614193 -0.00304469
-37.46792295 2.46369771 0.09298007
-0.00003941 -0.00012244 0.00027724
-0.02833920 0.01613968 -0.00807262
-11.70241858 -4.09325713 3.84875103
-0.00024855 -0.00016734 0.00011860
0.03535499 -0.01856317 0.00197383
4.32022640 -3.93272699 9.27394016
-0.00036554 -0.00022496 -0.00027784
0.00455335 -0.00702902 -0.00369635
-32.04395283 -0.52362772 -0.45002573
-0.00045622 0.00042759 0.00031225
0.00552032 -0.04574860 -0.03145231
14.58102118 12.60696701 -13.86411902
-0.00057510 -0.00003146 0.00009710
0.04343318 -0.02313529 0.02518889
-7.70354162 6.03500580 2.55828973
-0.00004723 0.00015873 0.00012708
-0.00294206 -0.03259782 -0.02566696
7.57389559 12.56697804 -5.79597423
0.00000457 -0.00013365 -0.00032019
0.01218793 0.00354992 -0.00363208
8.85672782 9.87274975 -18.97111515
-0.00010241 0.00009451 0.00019184
0.00726159 0.00718389 -0.02005657
23.36089752 17.30633031 -2.17740558
-0.00013170 -0.00006917 -0.00012270
-0.02706329 0.03628244 0.00855128
2.22813111 16.87855561 -19.55340984
-0.00024972 -0.00011916 -0.00037698
0.00579891 -0.02037538 0.02608732
14.01377340 -1.22189384 -5.57394487
0.00006883 0.00024358 -0.00041533
0.00554987 0.00000647 0.00250474
-16.07050808 -1.46285573 3.19045124
0.00011709 0.00029115 0.00007162
0.00932884 -0.01787092 0.00958817
-16.74567577 -1.90931405 19.06316754
0.00046075 -0.00017731 -0.00046957
-0.00427772 0.00258199 -0.00212393
0.39971703 2.01668237 -4.96210555
0.00000676 0.00003731 0.00017282
-0.00700466 0.03944432 0.00186260
22.57802603 -7.15065535 -8.87406861
0.00010041 0.00015080 0.00012984
0.02827445 -0.01358770 -0.00709885
-0.64803505 -6.38925705 7.24143666
-0.00014088 0.00018955 -0.00005312
0.00730539 0.00626324 0.00099619
-1.76582767 -1.39828091 -19.33589181
0.00016254 -0.00007969 -0.00000334
-0.00916994 -0.00654872 -0.00372395
3.23286192 2.02302273 -9.30622008
-0.00012424 -0.00031910 0.00007582
0.02286578 -0.01276993 0.02608392
-3.84114308 17.84686383 12.30223662
-0.00023225 -0.00016748 0.00006986
0.00445237 0.02628228 0.00267267
-3.85797177 4.97680217 -11.06957449
-0.00006365 0.00001217 -0.00013534
0.01821466 -0.00077852 0.01044638
-7.99621144 2.99235129 -8.98496562
0.00022617 -0.00023999 -0.00007696
0.00451036 0.00139010 0.00531746
2.23788106 27.41806715 8.59428455
0.00021085 0.00011666 0.00025063
-0.00436781 0.00585258 -0.00880165
9.82440432 -6.20309662 -1.86844856
-0.00026571 -0.00014569 0.00018112
-0.00735133 0.00772871 -0.01229590
-8.75495629 0.75594804 6.00527089
0.00016324 0.00013685 0.00008289
0.01222486 0.03014307 -0.02634473
20.35242473 10.80205723 8.88367277
-0.00005978 0.00017610 -0.00010108
-0.00123048 -0.02858054 -0.00002204
-2.30732550 -2.12244010 -27.25506455
0.00045359 0.00012669 -0.00026314
-0.04304025 -0.01946667 0.00821556
-14.32693838 6.15792445 7.67860601
-0.00004218 0.00013344 0.00028063
0.00056343 -0.00580982 -0.00430353
-9.59525874 7.28480791 -2.52534113
0.00020759 0.00006107 0.00019476
-0.02854426 -0.00434329 -0.00410152
-1.77414287 -15.55772180 23.63633532
-0.00029881 0.00024641 -0.00034929
0.00400646 -0.00431630 0.00457929
-2.64844731 6.30275354 -6.28799942
-0.00012020 0.00002386 0.00007209
-0.02289213 0.02475623 -0.01369422
-20.06319944 31.02018724 4.29933997
0.00005571 -0.00027822 -0.00025484
0.00284916 -0.03509377 -0.01174658
7.60082057 0.11937008 7.86623819
0.00000483 0.00035322 -0.00052353
0.00914266 0.01942298 0.01722305
5.66659867 11.51035434 -13.70236450
0.00034770 0.00024438 0.00045042
0.02857371 -0.02394329 0.03043529
15.55668937 2.85996793 -1.92965364
-0.00015475 -0.00018876 0.00015008
0.01809611 0.01943210 0.00803978
-4.33634763 13.49763383 -0.94183908
-0.00020657 -0.00026377 0.00020880
0.01287309 -0.01320005 0.01273019
4.59850271 12.42034950 3.12716084
0.00027890 -0.00000983 -0.00039066
-0.00111694 0.02953524 -0.01287816
24.98968511 -11.67180378 -9.74401845
0.00014059 0.00014451 -0.00021956
-0.02560430 0.00664267 0.01052652
16.50845098 -3.77502247 -0.50417369
0.00020287 0.00026771 -0.00022921
0.03362287 -0.00530792 -0.00362970
12.98160961 7.95874776 10.05663600
0.00013652 0.00001285 0.00018182
0.02559451 -0.00327493 -0.04608417
1.60242531 -13.96739438 17.66009580
-0.00007919 -0.00017430 -0.00005595
-0.01413584 -0.01557873 -0.01499810
-4.19408582 -0.71146068 -14.32132284
0.00042783 0.00006557 0.00024079
-0.01038183 -0.01832310 0.04666936
15.10760248 -7.78269199 -8.95451384
-0.00008047 0.00039937 0.00026871
0.02530005 0.01778010 0.03247379
8.53031015 -6.92772117 8.76334315
-0.00036975 -0.00032734 0.00031837
0.00155561 0.04278575 -0.02172393
-21.24395600 2.30479579 22.72772738
0.00017379 -0.00007455 -0.00003171
-0.00151504 -0.00067420 -0.02846259
25.72254678 -3.24707432 -7.98966958
-0.00016943 -0.00003333 -0.00025353
0.01056195 0.00338587 0.00390898
9.83775236 -14.07732350 -7.98954837
0.00005311 0.00021340 -0.00045038
-0.00146208 -0.02152494 -0.00247271
-6.62062687 -12.41876977 16.91916281
-0.00036852 -0.00027891 0.00015033
0.01877059 0.04276563 -0.00121545
8.11435923 3.37641031 -29.36375281
-0.00041562 -0.00031846 0.00000900
-0.00410370 -0.03682030 -0.00347265
10.85277926 15.39112768 15.34322517
-0.00003757 -0.00016254 -0.00000786
-0.00036749 0.02070919 -0.01941816
28.61179966 6.08131046 -3.24223146
0.00012340 0.00019128 -0.00029614
0.02123689 0.00023892 0.00995528
5.47627149 -31.21456155 -3.20971295
-0.00023031 -0.00022665 0.00002935
-0.00059811 -0.00414585 -0.00913416
4.14833954 -31.61630649 -0.65563752
0.00080164 0.00051644 0.00029182
0.00135587 0.00002048 0.01157290
-11.64516384 -3.62461290 -8.68220188
-0.00002500 -0.00007776 0.00024559
-0.00440132 0.00086284 -0.00272255
-12.64438547 -1.65123470 -10.69164695
-0.00006395 0.00123085 -0.00050970
0.00523199 -0.00296563 0.00351228
-39.08870479 2.01599229 0.92904266
0.00018107 -0.00012432 -0.00011792
0.02117824 0.00671337 -0.00774752
-37.90109092 4.04485658 -0.94893863
-0.00040265 0.00008539 -0.00023405
0.00776478 -0.02558575 0.01606892
-10.51659556 -5.62182277 3.62066961
0.00077906 -0.00014729 -0.00022064
-0.02372185 0.01954224 0.00044256
-10.51094762 -2.70761856 3.61703759
0.00000040 0.00036272 -0.00007815
-0.00568540 -0.00294376 0.00193927
5.05576270 -2.54089436 8.36566568
-0.00033371 0.00091806 -0.00058475
0.00034047 0.01026771 -0.00189518
4.76268334 -3.59832802 11.02404120
-0.00042750 0.00009939 -0.00000691
-0.00870964 0.00094157 0.00618188
-33.37573263 -1.74537358 -0.71153316
-0.00015156 0.00013132 0.00032574
-0.00356357 0.00263160 0.00585881
-32.61982744 0.59452174 0.75902514
0.00005672 0.00067561 0.00073027
-0.01919996 0.03343296 0.02855105
14.59510827 12.62858943 -15.66989721
-0.00038171 -0.00025697 0.00176035
-0.00866782 0.00472317 -0.01956482
16.32907312 11.92082709 -13.48341786
0.00050824 0.00007154 -0.00000675
-0.02900095 0.01743148 -0.00407869
-8.78189813 7.19245894 1.55617388
0.00001340 0.00029702 0.00052093
0.01580446 -0.01610435 0.00390257
-7.41045516 4.48245922 1.37104050
0.00012510 0.00002161 -0.00009989
-0.00919084 0.04618828 0.02014064
6.17423107 12.31512447 -6.88206523
-0.00031592 -0.00003147 -0.00038190
-0.01787177 -0.00271280 -0.01035044
8.84990324 13.70727253 -6.82104995
-0.00027862 -0.00016215 0.00028919
-0.01035435 -0.01505562 0.01931463
8.46043187 8.85390539 -20.46113062
-0.00000433 -0.00013620 -0.00031475
0.00542818 0.00636283 0.00813689
10.04938502 11.21337499 -19.57041169
-0.00050497 0.00034643 -0.00100048
-0.00283006 -0.02038592 0.00890594
23.70485436 15.60850252 -2.56535774
-0.00032551 0.00043270 0.00013570
0.01609792 -0.02558633 -0.01148300
24.97883722 18.19259623 -2.28267676
-0.00001269 0.00013240 0.00037455
-0.00568646 0.00219438 -0.00388595
1.43892607 16.75208645 -21.23519246
0.00087871 0.00039356 0.00032725
0.00900145 0.00139985 0.00016066
3.08139223 15.20468132 -19.08337292
0.00114097 0.00042160 -0.00020365
-0.01028210 0.02297834 -0.01685777
12.71695644 -0.54908385 -6.69027041
-0.00076000 -0.00009540 0.00068047
-0.00193702 -0.01437570 0.00019645
13.36855256 -1.24180501 -3.86885287
-0.00026614 0.00062771 0.00000157
-0.00473354 0.00495265 -0.00421300
-17.33897828 -2.74455135 2.85799194
-0.00123161 0.00073480 -0.00142743
-0.01241385 0.00059714 0.00046755
-14.63242556 -2.57202106 3.61011001
0.00033287 0.00042381 -0.00020344
-0.00180013 0.00625153 -0.00997458
-16.27357751 -0.47069928 20.12097520
-0.00095343 -0.00025269 0.00062656
-0.00125466 0.00726578 0.00136413
-15.50785652 -3.14740594 19.45613179
0.00067901 -0.00085264 0.00046800
0.01341776 -0.01093907 0.00644533
-0.77650247 0.62900349 -5.10482377
0.00056992 -0.00090204 0.00046085
-0.00494331 -0.01932123 0.00046196
-0.75920434 3.49424473 -5.00512125
0.00056776 -0.00001639 0.00003249
0.01145562 -0.01213918 0.00293841
23.50189040 -8.80401640 -9.20154386
0.00085289 0.00004454 0.00029726
-0.01767579 0.02433355 0.00428440
23.94704114 -5.86036818 -8.73735315
0.00089128 -0.00064045 -0.00025984
-0.01756876 -0.01083463 0.00427453
0.35311502 -5.95478716 5.74088727
-0.00059966 -0.00071932 -0.00023166
-0.00328306 -0.00215297 0.00685249
0.16245700 -5.47012512 8.62786007
0.00066008 -0.00133970 0.00059059
-0.00060646 -0.00885999 -0.00923681
-0.77796323 -2.88384374 -18.82008886
0.00021710 0.00103550 -0.00063130
-0.01076615 0.00769790 -0.01305952
-3.05546779 -1.85446441 -20.63737837
-0.00021749 0.00045498 -0.00030245
0.01597255 -0.00536228 0.01800588
2.63313535 2.28988215 -10.95405057
-0.00031523 0.00069037 -0.00006818
-0.00947269 0.01388427 -0.02526248
2.15140444 2.77048684 -8.03413529
0.00075467 -0.00063882 -0.00003133
-0.00891251 -0.00599323 0.00245380
-2.42217644 16.67837139 12.41878185
0.00104773 -0.00047713 -0.00015058
0.01326882 -0.00045776 0.00629710
-3.45977925 19.28038192 13.48891811
0.00011299 -0.00065748 0.00062443
-0.00522570 -0.02942310 -0.01175663
-4.76583698 6.26675724 -11.88621517
-0.00042246 -0.00038210 0.00195211
-0.01933805 0.02747296 -0.00686301
-3.50664571 3.85965817 -12.41174784
-0.00115959 0.00043336 0.00088681
0.00838576 -0.02555001 -0.01508546
-7.86507186 2.10905518 -7.37767425
0.00047944 -0.00026498 0.00049833
0.00789907 0.00659221 -0.01037967
-6.27256653 3.51407673 -9.44749008
-0.00084808 -0.00075898 0.00046443
-0.01495979 -0.00563114 0.00711720
2.56495878 28.30765165 6.98656393
0.00109404 0.00007758 -0.00037818
-0.00769447 -0.00978647 0.01577548
0.64552764 28.04897471 9.24292429
0.00096893 0.00058271 0.00013608
0.00569280 0.00032450 -0.00668104
10.62677836 -7.43110507 -0.81499275
-0.00028104 0.00015816 -0.00053582
0.01131467 -0.00525039 0.01454856
8.68477277 -7.21717034 -2.87550725
-0.00012868 0.00051041 -0.00018274
-0.00498336 -0.00201356 0.00060058
-6.94250940 0.57158665 6.28210508
-0.00045666 0.00048606 0.00016332
-0.00434588 -0.00997266 0.00732392
-9.50364902 -0.60200086 6.83492693
-0.00073566 0.00018785 0.00050885
-0.01380508 -0.02592185 0.02213454
21.75809323 10.08338994 9.81410055
0.00031587 0.00021429 0.00017538
-0.00358983 0.00563608 0.00706275
21.00897310 12.34428647 8.23269910
-0.00011555 -0.00036242 0.00038073
0.00420419 0.02812392 -0.00628016
-1.56654610 -3.67126184 -26.50381207
0.00065061 -0.00085861 0.00019299
0.00091877 0.01962298 -0.00365634
-4.16439531 -2.18790064 -26.78404820
0.00021227 0.00007643 -0.00012455
0.03772410 0.00289889 -0.00729835
-14.01391591 7.19080733 9.15897801
0.00067364 -0.00023484 0.00042917
-0.00393560 0.00207458 -0.00639582
-15.41472072 7.13879289 6.56088684
-0.00056560 -0.00028112 0.00035661
0.01180922 -0.00115334 0.01190845
-11.24494487 7.28866316 -3.35828435
-0.00050857 0.00082281 0.00097112
0.00685727 -0.00337079 0.01120603
-8.64135955 8.31850095 -3.72447966
0.00098199 0.00010900 0.00006941
0.00746128 -0.00054908 0.00387269
-1.23235483 -17.31321433 23.37409083
0.00053581 0.00084063 -0.00046378
0.01251560 0.00220825 -0.00511158
-3.49623768 -15.77963790 24.15980649
0.00134055 0.00064335 -0.00116507
-0.01106925 0.00850512 0.00217426
-2.39891028 6.01104189 -8.11280289
0.00085552 0.00070689 0.00057855
-0.00681197 0.00130103 0.01537573
-4.12459110 7.54739195 -6.20486080
-0.00069036 -0.00100028 0.00047565
0.02268668 -0.02392159 0.00308785
-21.26458291 30.34907895 3.07769444
-0.00065103 -0.00135735 -0.00005313
-0.00478926 -0.01252811 -0.01557803
-21.22803343 31.54057309 5.51018243
0.00034930 -0.00138511 0.00029421
-0.02436940 0.01867214 0.03502774
7.11536595 -0.13785293 6.14143735
0.00021796 -0.00091593 0.00033890
-0.00874146 -0.00438010 -0.01903929
7.62563462 1.96543051 8.00497325
0.00043798 0.00015135 0.00030317
-0.00404899 -0.00868905 0.00401829
7.04319846 12.71050024 -14.11513595
0.00011114 -0.00037630 -0.00035078
-0.00447741 0.00336997 0.01073214
4.39494016 11.82552260 -14.84641418
-0.00074031 -0.00015139 -0.00064451
-0.03093637 0.01181695 -0.03265412
14.49828791 3.74718227 -3.12435372
-0.00015264 -0.00017366 0.00006961
-0.00193761 0.00027976 0.00620036
15.10009267 1.12472016 -1.90578749
-0.00048844 -0.00103005 -0.00012130
-0.00508666 -0.00649480 -0.00271852
-2.61567054 13.28469093 -0.35001659
0.00005755 -0.00050632 0.00008697
0.00019735 0.00097961 -0.00948624
-5.25294295 12.84798154 0.54784334
-0.00032876 -0.00002666 0.00068213
-0.00969829 0.00658848 -0.01011045
3.82421788 10.78916310 3.52679596
-0.00070037 -0.00110730 0.00039916
-0.00948410 -0.00077009 -0.00066710
6.37358760 12.04681562 3.19928287
-0.00052741 -0.00056337 -0.00084159
0.01379220 -0.00299033 0.00190042
25.15317471 -12.82010928 -8.33362908
-0.00017651 0.00104002 0.00025526
0.00709817 -0.00272560 -0.00403401
26.34983286 -11.51683729 -10.95695850
0.00116188 -0.00015316 -0.00078168
0.01654817 -0.00585737 -0.00550989
14.75117931 -3.95297815 -0.71494392
-0.00017629 0.00067004 0.00091703
-0.01949184 -0.00053721 0.00279961
17.20683136 -5.50079892 -0.74630050
0.00043639 -0.00068224 0.00029954
-0.00860621 0.01036734 0.00244480
12.39449873 7.99963410 11.71545059
0.00056373 0.00037411 -0.00003744
-0.01953784 0.00031208 0.03992316
13.39543963 9.68791049 9.54563403
0.00048646 0.00041355 0.00114647
-0.00540178 -0.00128668 -0.00107654
-0.19325545 -14.35880299 17.19557597
0.00029103 -0.00047144 0.00015579
0.01670271 -0.01119667 -0.00039978
1.41929473 -12.30171138 18.24353286
-0.00017852 -0.00012917 0.00009808
0.00886889 0.02753552 0.01272272
-3.79410894 -2.39989541 -13.58662695
0.00019357 -0.00062937 0.00042716
-0.01187274 0.02202861 -0.00015111
-3.32768238 -0.76387404 -15.83554568
-0.00036461 -0.00089068 0.00001838
0.02874818 -0.00030536 -0.04938213
14.16297990 -8.18640686 -10.38126545
0.00081448 -0.00012714 -0.00052446
-0.01127202 -0.00822884 -0.04128097
16.43414455 -6.41376090 -9.44462359
0.00061615 0.00055519 -0.00084573
-0.02367440 -0.01223120 0.00912038
7.09205128 -5.68541319 9.03792202
-0.00065924 -0.00051155 -0.00050030
0.01080546 -0.02442456 -0.00202370
9.37239143 -6.06776884 7.31811288
0.00074414 -0.00085435 -0.00019556
-0.00323939 -0.01349622 0.01798448
-21.55631709 1.93367702 20.88321687
-0.00061830 0.00043069 0.00065720
0.00776968 0.00683308 0.02449780
-21.91548546 0.85541250 23.63503271
-0.00059556 0.00080036 0.00136681
-0.00506209 -0.00340475 0.00069576
26.65896346 -3.02278276 -6.41737581
0.00030876 0.00008395 -0.00044767
-0.00648874 0.00324431 -0.00364712
25.15564305 -1.54984972 -8.42188000
0.00033558 -0.00035214 -0.00029421
0.00132430 0.00340045 0.00174969
9.22353129 -15.84866119 -7.65543116
0.00060690 0.00005031 -0.00004479
0.01013601 0.03054962 -0.00209480
8.95637507 -12.82314965 -6.98936037
0.00071237 -0.00029469 0.00036423
-0.00298306 -0.00434621 0.00278264
-5.86659181 -11.10140048 18.06145619
-0.00024983 0.00014167 0.00054154
-0.00748205 -0.02120522 -0.01197415
-7.32482491 -11.34404469 15.57793956
0.00035579 -0.00019100 -0.00003735
0.00619752 -0.00619859 0.00287895
8.51662217 1.54110436 -29.35760994
-0.00026855 -0.00073404 0.00032615
0.00704383 0.02319272 0.00004617
6.49905914 3.28333457 -30.23883038
-0.00037232 0.00060189 0.00122861
-0.00685371 0.00319899 -0.00375620
12.50273055 15.38444101 14.46479778
0.00060895 0.00077389 0.00037565
0.01365247 -0.00714202 0.00499848
11.05087072 15.86246406 17.08706349
0.00027100 0.00006755 0.00113174
0.00868955 0.00463144 0.00817143
29.43382983 4.82873040 -4.35261610
-0.00025551 -0.00011158 -0.00002603
-0.01547617 0.00906703 -0.00139341
26.92126301 6.45927106 -3.77620269
0.00048414 -0.00037005 -0.00036277
-0.01120685 0.00048811 -0.00733995
-9.94366412 4.85200595 6.76718798
0.00001789 -0.00004342 -0.00024221
-0.00271287 0.00951885 -0.00093367
-8.70454507 13.29880550 2.59618006
-0.00006701 0.00006834 0.00000306
-0.00393403 0.00048643 -0.00163184
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09499026
0.30907853
411.83164940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.143 s
total exchange = -52.3923749898 (a.u.)
total exchange computation time: 2.6057610512 s
-154.1948641397
-931.40188224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.139 s
total exchange = -52.3920231089 (a.u.)
total exchange computation time: 2.6060061455 s
-154.1989065294
Anderson extrapolation: theta=1.3551448978 (1.3551448978)
-931.40206557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.138 s
total exchange = -52.3914431886 (a.u.)
total exchange computation time: 2.6077029705 s
-154.2053714837
Anderson extrapolation: theta=0.0530997813 (0.0530997813)
-931.40217582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.143 s
total exchange = -52.3913330282 (a.u.)
total exchange computation time: 2.6073961258 s
-154.2065020481
Anderson extrapolation: theta=1.9240929929 (1.9240929929)
-931.40217995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.142 s
total exchange = -52.3911012404 (a.u.)
total exchange computation time: 2.6089079380 s
-154.2088421003
Anderson extrapolation: theta=0.2199302676 (0.2199302676)
-931.40218424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.139 s
total exchange = -52.3910476924 (a.u.)
total exchange computation time: 2.6063420773 s
-154.2093625079
Anderson extrapolation: theta=1.8572241141 (1.8572241141)
-931.40218506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.141 s
total exchange = -52.3909704221 (a.u.)
total exchange computation time: 2.6095750332 s
-154.2101090992
Anderson extrapolation: theta=0.2907962417 (0.2907962417)
-931.40218610
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.140 s
total exchange = -52.3909697258 (a.u.)
total exchange computation time: 2.6068990231 s
-154.2101149121
Anderson extrapolation: theta=1.3304821642 (1.3304821642)
-931.40218640
-71.419540 67.340378 142.291381
559.466134 1031.405083 -411.923614
488.046594 1098.745461 -269.632233
1232.125240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 3.138 s
total exchange = -52.3909841593 (a.u.)
total exchange computation time: 2.6107130051 s
679.20444729
-1084.27216108
89.81668270
-388.84303985
-174.91713157
78.58368764
551.60419304
0.00000000
-931.40218667
3.95214425 -30.81964940 -2.27739966
0.00014659 -0.00036169 0.00000517
0.00228602 -0.01389639 0.00005391
-11.56178570 -1.86687425 -9.22711828
0.00022637 0.00039739 -0.00009201
-0.01205051 0.00367207 -0.00493656
-37.46862337 2.46192343 0.09710755
-0.00005361 -0.00011344 0.00027236
-0.02689285 0.01884112 -0.01090304
-11.70601039 -4.09583888 3.85053767
-0.00022921 -0.00017650 0.00011936
0.03983738 -0.01705788 0.00098245
4.31476082 -3.93612854 9.26975834
-0.00036228 -0.00022688 -0.00028026
0.00813599 -0.00042504 -0.00574165
-32.05077480 -0.51739033 -0.44546329
-0.00045351 0.00040471 0.00029666
0.00500520 -0.04322815 -0.02915666
14.57256215 12.60640588 -13.86256541
-0.00055153 -0.00004375 0.00011372
0.04824058 -0.02466487 0.03946557
-7.70426142 6.03726105 2.56009694
-0.00004849 0.00014166 0.00011403
-0.00197190 -0.03377988 -0.02508787
7.57401114 12.56498694 -5.80079114
0.00000993 -0.00013219 -0.00032209
0.00865271 0.00215147 -0.00376191
8.85521962 9.87419506 -18.96831497
-0.00009853 0.00009796 0.00018042
0.00785209 0.00626435 -0.02434331
23.35881769 17.30543273 -2.17921311
-0.00014552 -0.00004926 -0.00011813
-0.02670403 0.04112060 0.00923130
2.22440765 16.87668967 -19.55896389
-0.00024569 -0.00012939 -0.00036177
0.00987365 -0.01943738 0.03307289
14.01482732 -1.21824007 -5.58016519
0.00007131 0.00024354 -0.00041273
0.00409380 -0.00015462 0.00763391
-16.06871568 -1.45855738 3.19156255
0.00012061 0.00028113 0.00007614
0.00434404 -0.02108909 0.00798638
-16.73878106 -1.91196373 19.05611579
0.00045971 -0.00017698 -0.00047001
0.00026173 -0.00130515 0.00041451
0.39979142 2.01739410 -4.95950611
0.00000345 0.00005657 0.00017379
-0.00585199 0.03545160 0.00192978
22.57964127 -7.14844571 -8.87214833
0.00011547 0.00014334 0.00012608
0.03027272 -0.01543116 -0.00752817
-0.65012007 -6.38638971 7.24064378
-0.00013755 0.00019241 -0.00005201
0.00562709 0.00486370 0.00328387
-1.76342494 -1.39950154 -19.33595631
0.00015652 -0.00008143 -0.00000606
-0.01422607 -0.00020494 -0.00683869
3.23108651 2.01818690 -9.30498212
-0.00011204 -0.00032610 0.00008730
0.02459958 -0.01444850 0.01856513
-3.84460966 17.84445297 12.30329485
-0.00022819 -0.00015539 0.00007133
0.01135314 0.02075858 0.00301839
-3.85885623 4.97698175 -11.07156430
-0.00005351 0.00001187 -0.00012672
0.02122336 -0.00038310 0.02306252
-7.99280143 2.98875674 -8.98609956
0.00022655 -0.00024036 -0.00007276
-0.00303998 -0.00280127 0.01102865
2.24102703 27.41983956 8.59801009
0.00020988 0.00011976 0.00024480
0.00057793 0.00623598 -0.01387685
9.82039031 -6.20525211 -1.86577919
-0.00026977 -0.00014052 0.00017428
-0.00843647 0.01235530 -0.01428598
-8.75246057 0.75811703 6.00641255
0.00016766 0.00015130 0.00006984
0.00495493 0.02607467 -0.02440109
20.35152321 10.80458852 8.88215655
-0.00006019 0.00016003 -0.00010021
-0.00034766 -0.03392143 0.00340166
-2.30068773 -2.12061482 -27.25898000
0.00043185 0.00011527 -0.00025825
-0.04148858 -0.02496436 0.01082451
-14.32756896 6.15990361 7.68279881
-0.00004182 0.00013029 0.00027840
0.00084492 -0.00643362 -0.00435893
-9.59225497 7.28570715 -2.52243559
0.00019289 0.00005919 0.00019222
-0.02860829 -0.00296375 -0.00576859
-1.77860953 -15.55404229 23.63111369
-0.00029294 0.00024516 -0.00034799
0.01880724 -0.00053642 0.00046716
-2.65033857 6.30320690 -6.28697082
-0.00013179 0.00003640 0.00006596
-0.02218056 0.02402908 -0.01016932
-20.06235276 31.01587863 4.29547212
0.00005649 -0.00029677 -0.00026178
0.00017577 -0.03704866 -0.01525765
7.60092822 0.12474335 7.85845166
0.00000999 0.00036288 -0.00051303
0.01094622 0.01812065 0.02359667
5.67192436 11.51392761 -13.69549084
0.00035879 0.00023216 0.00046358
0.01457405 -0.02354083 0.02075030
15.55443794 2.85721153 -1.92737138
-0.00014596 -0.00018061 0.00015418
0.01607256 0.01226382 0.00789534
-4.33939647 13.49362634 -0.93865800
-0.00019980 -0.00027071 0.00021585
0.01342085 -0.01377260 0.01470321
4.60268194 12.42031591 3.12125119
0.00027595 0.00000353 -0.00039676
-0.01037781 0.02242648 -0.01082168
24.99169514 -11.66961049 -9.74727129
0.00012885 0.00014840 -0.00021581
-0.02003860 0.00846492 0.00406826
16.51162368 -3.77102729 -0.50762583
0.00022018 0.00026389 -0.00023128
0.03368647 -0.00955124 -0.00440933
12.98375615 7.95892793 10.05918555
0.00014992 0.00001165 0.00015768
0.02652672 -0.00139482 -0.04778687
1.60118295 -13.97006900 17.65919864
-0.00008594 -0.00018187 -0.00006341
-0.01211028 -0.01384053 -0.01398033
-4.18770845 -0.71054777 -14.31753095
0.00042262 0.00005532 0.00026523
-0.00986159 -0.02154086 0.04838195
15.10649309 -7.77663285 -8.95035786
-0.00006749 0.00040880 0.00028419
0.02514016 0.01889612 0.02769937
8.52476995 -6.93246617 8.76803490
-0.00036827 -0.00030513 0.00030639
0.00417869 0.04354702 -0.02486515
-21.24135496 2.30367493 22.72714190
0.00017298 -0.00007481 -0.00004493
-0.00165049 -0.00033819 -0.02294888
25.72004604 -3.24756117 -7.99345748
-0.00016359 -0.00003226 -0.00025115
0.01216133 0.00075997 0.00536231
9.83854330 -14.07420560 -7.99631361
0.00005251 0.00020198 -0.00045181
-0.00086064 -0.02284661 -0.00309558
-6.62608224 -12.42278851 16.92141314
-0.00035838 -0.00025646 0.00015028
0.02067017 0.04455015 0.00100494
8.10810917 3.37149141 -29.36363115
-0.00041641 -0.00033770 0.00000792
0.00101730 -0.03800902 -0.00072416
10.85221422 15.38876952 15.34303242
-0.00003684 -0.00015109 -0.00001570
0.00324111 0.02378041 -0.01107588
28.61373252 6.08418052 -3.24663523
0.00013487 0.00019128 -0.00029068
0.02338996 -0.00022209 0.01130268
5.47279847 -31.21808834 -3.20955263
-0.00022856 -0.00024460 -0.00001049
0.00145603 -0.00464274 -0.01036730
4.16040572 -31.60855922 -0.65090559
0.00080685 0.00051607 0.00033990
0.00119197 -0.00020273 0.01196128
-11.64567365 -3.62575290 -8.67860141
-0.00004345 -0.00006698 0.00023103
-0.00463223 0.00441516 -0.00440806
-12.64518446 -1.63286282 -10.69918481
-0.00003767 0.00121602 -0.00048790
0.00763212 -0.00429252 0.00715621
-39.08533972 2.01433314 0.92703638
0.00026303 -0.00009822 -0.00014657
0.01894144 0.00606430 -0.00627352
-37.90689276 4.04535339 -0.95195705
-0.00036930 -0.00002248 -0.00016596
0.00856159 -0.02721577 0.01726598
-10.50563655 -5.62343328 3.61737363
0.00067850 -0.00006461 -0.00021807
-0.02550540 0.02092963 0.00081327
-10.51111579 -2.70226797 3.61592471
-0.00002818 0.00034472 -0.00006898
-0.00830597 -0.00586743 0.00255096
5.05076742 -2.52680883 8.35683636
-0.00033868 0.00094701 -0.00058395
-0.00277158 0.00390310 0.00228725
4.75600400 -3.59680830 11.02412694
-0.00046369 0.00010232 0.00001397
-0.00900715 0.00049355 0.00404135
-33.37811522 -1.74332309 -0.70646758
-0.00016709 0.00014264 0.00035046
-0.00403885 0.00290704 0.00624467
-32.61956496 0.60568045 0.77085406
-0.00001955 0.00080623 0.00084118
-0.01813315 0.03050320 0.02573910
14.58911699 12.62487959 -15.64409154
-0.00041776 -0.00023717 0.00165233
-0.00897744 0.00497196 -0.03330870
16.33580798 11.92243436 -13.48364411
0.00038119 0.00014557 -0.00002439
-0.03319112 0.01880385 -0.00455649
-8.78121289 7.19642073 1.56410741
0.00007643 0.00023241 0.00053501
0.01505124 -0.01552143 0.00298931
-7.40886035 4.48419878 1.37015931
0.00008697 0.00021159 -0.00001696
-0.00947054 0.04680599 0.02045429
6.16894467 12.31456931 -6.88811083
-0.00038390 -0.00004163 -0.00042103
-0.01540864 -0.00226266 -0.00880452
8.84540667 13.70437889 -6.81612027
-0.00031892 -0.00022215 0.00036504
-0.00937571 -0.01431330 0.01781379
8.46053333 8.85205739 -20.46560253
0.00001856 -0.00010736 -0.00027543
0.00577595 0.00775215 0.01110864
10.04172380 11.21794672 -19.58514600
-0.00051806 0.00026157 -0.00096136
-0.00357757 -0.02115281 0.01024457
23.70046503 15.61420904 -2.56367410
-0.00025775 0.00031937 0.00008696
0.01707108 -0.02989187 -0.01237417
24.97847264 18.19464950 -2.27717752
-0.00003776 0.00013998 0.00035768
-0.00658566 0.00151401 -0.00437242
1.45238253 16.75803280 -21.23027871
0.00090872 0.00039661 0.00031507
0.00568924 0.00009134 -0.00612751
3.09819176 15.21170951 -19.08694428
0.00109722 0.00051552 -0.00027353
-0.01113747 0.02299620 -0.01734764
12.70549705 -0.55095542 -6.68005736
-0.00076916 -0.00015274 0.00067719
-0.00254733 -0.01369046 -0.00180074
13.36441533 -1.23223755 -3.86895845
-0.00028135 0.00064683 -0.00002181
-0.00271151 0.00440704 -0.00723255
-17.35783279 -2.73351098 2.83659476
-0.00126990 0.00074476 -0.00142138
-0.00633112 0.00427466 0.00249584
-14.62748763 -2.56547229 3.60675278
0.00032294 0.00044718 -0.00024471
-0.00305966 0.00518442 -0.01022663
-16.28791738 -0.47426694 20.13041545
-0.00095787 -0.00022623 0.00062988
-0.00092185 0.00568377 0.00026005
-15.49726024 -3.16053072 19.46334935
0.00072382 -0.00088619 0.00049157
0.00851793 -0.00548583 0.00509077
-0.76810510 0.61488081 -5.09789686
0.00055181 -0.00097516 0.00046298
-0.00392071 -0.01646957 0.00057878
-0.75033690 3.49362691 -5.00454385
0.00061009 -0.00006382 0.00004407
0.00926372 -0.01107877 0.00272879
23.51414217 -8.80260261 -9.19695367
0.00077721 0.00014474 0.00031455
-0.01937218 0.02471567 0.00417906
23.95987194 -5.87030701 -8.74111970
0.00081808 -0.00068192 -0.00024189
-0.01826057 -0.00946397 0.00450903
0.34401953 -5.96564298 5.73762236
-0.00061004 -0.00072575 -0.00020571
-0.00179684 -0.00099395 0.00585189
0.17233960 -5.49049212 8.63643595
0.00065793 -0.00137501 0.00055032
-0.00044438 -0.00842223 -0.01047838
-0.77503671 -2.86807537 -18.82995855
0.00018046 0.00105421 -0.00068064
-0.00716464 0.00145968 -0.01109389
-3.05824072 -1.84780409 -20.64136340
-0.00014934 0.00043282 -0.00022649
0.01738683 -0.00548536 0.01917703
2.62811665 2.30066315 -10.95584736
-0.00035112 0.00074598 -0.00016388
-0.00809421 0.01333842 -0.02158256
2.16245136 2.76072082 -8.03453006
0.00071137 -0.00065856 -0.00001375
-0.01228472 -0.00366872 0.00615288
-2.40605394 16.67120035 12.41671615
0.00108921 -0.00046957 -0.00012600
0.00703736 0.00415981 0.00573591
-3.45824451 19.26961817 13.49792423
0.00009094 -0.00077624 0.00057655
-0.00557107 -0.02871223 -0.01168051
-4.77276644 6.26186760 -11.85714385
-0.00051090 -0.00025751 0.00191541
-0.02395601 0.03351265 -0.01110115
-3.52378257 3.86537560 -12.39890791
-0.00112186 0.00031606 0.00080788
0.01008296 -0.03186788 -0.02355212
-7.85763815 2.10528254 -7.37051730
0.00051014 -0.00023531 0.00044937
0.00712786 0.00792837 -0.01358738
-6.28574612 3.50251950 -9.44030548
-0.00089222 -0.00077650 0.00048849
-0.00664688 -0.00294754 0.00465582
2.58113359 28.30851547 6.98137458
0.00106019 0.00003351 -0.00030569
-0.00887510 -0.01178519 0.01971266
0.66023607 28.05772529 9.24476076
0.00098442 0.00058714 0.00011139
0.00188809 0.00184203 -0.00540638
10.62290954 -7.42889360 -0.82258421
-0.00023061 0.00012961 -0.00047067
0.01336835 -0.00872140 0.01734131
8.68268991 -7.20957582 -2.87823000
-0.00015129 0.00049967 -0.00018199
-0.00608465 -0.00324436 -0.00022927
-6.94949243 0.57857200 6.28477936
-0.00046545 0.00044356 0.00019502
0.00004321 -0.01083485 0.00819253
-9.51510701 -0.59997741 6.84323791
-0.00078594 0.00009162 0.00059354
-0.01080636 -0.02118538 0.01932410
21.76272127 10.08677699 9.81694773
0.00029602 0.00023921 0.00020149
-0.00612454 0.00656132 0.00571601
21.00736864 12.33971201 8.23821760
-0.00009523 -0.00023839 0.00035090
0.00574221 0.03258913 -0.00832029
-1.55675883 -3.68353968 -26.50102929
0.00064964 -0.00076754 0.00017306
-0.00139488 0.02495614 -0.00609716
-4.16005525 -2.18666533 -26.78614010
0.00036824 0.00008843 -0.00015465
0.03862402 0.00297392 -0.00743344
-14.00393188 7.18734824 9.16521964
0.00065666 -0.00022573 0.00040207
-0.00437714 0.00238913 -0.00687079
-15.42284279 7.13454075 6.56660093
-0.00051649 -0.00028518 0.00040647
0.01222960 -0.00083384 0.01249777
-11.25236332 7.30090203 -3.34337423
-0.00047570 0.00080953 0.00101748
0.00923447 -0.00313152 0.01148979
-8.62640108 8.32011914 -3.72331986
0.00100691 0.00010312 0.00008840
0.00473602 -0.00233096 0.00542144
-1.22393421 -17.30053725 23.36697756
0.00058700 0.00084557 -0.00048505
0.01254169 0.00021192 -0.00530349
-3.47646855 -15.76972697 24.14239701
0.00126591 0.00067379 -0.00114710
-0.02546992 0.00639503 0.00662427
-2.38628629 6.02168513 -8.10365353
0.00082736 0.00071103 0.00063493
-0.00697011 0.00072440 0.01222534
-4.13425132 7.53165479 -6.19763137
-0.00059852 -0.00109571 0.00048726
0.02227177 -0.02279409 0.00259416
-21.27449509 30.32833485 3.07642017
-0.00066453 -0.00140378 -0.00011093
-0.00182096 -0.01020017 -0.01271804
-21.22354065 31.52036856 5.51566890
0.00024937 -0.00130863 0.00043795
-0.02454811 0.01876872 0.03533615
7.11836746 -0.15172610 6.14593739
0.00017955 -0.00093214 0.00025131
-0.01006019 -0.00355257 -0.02383570
7.63208027 1.96743452 8.00964386
0.00042038 0.00011720 0.00031669
-0.00456795 -0.00802610 0.00260389
7.04472834 12.70495898 -14.12006883
0.00009676 -0.00035868 -0.00030779
-0.00256090 0.00525468 0.01031259
4.38288752 11.82361389 -14.85708245
-0.00084299 -0.00010869 -0.00075715
-0.01932664 0.00908351 -0.02248407
14.49593886 3.74458601 -3.12311962
-0.00016035 -0.00017274 0.00009539
-0.00183382 0.00016950 0.00642315
15.09261019 1.10907034 -1.90769036
-0.00050510 -0.00104120 -0.00013217
-0.00306867 0.00103754 -0.00259931
-2.61480123 13.27712608 -0.34900268
0.00005499 -0.00050207 0.00004741
-0.00145210 0.00110319 -0.00987841
-5.25817153 12.84778354 0.55776547
-0.00036628 0.00000166 0.00063762
-0.00866803 0.00727499 -0.01167842
3.81342165 10.77252995 3.53276295
-0.00073206 -0.00109389 0.00039171
-0.00602589 0.00733824 -0.00298147
6.36609904 12.03827348 3.18671730
-0.00046052 -0.00057728 -0.00083302
0.01895225 -0.00382070 0.00229251
25.15074452 -12.80459246 -8.32992382
-0.00014690 0.00102604 0.00024157
0.00739619 -0.00411990 -0.00266633
26.36776807 -11.51931425 -10.96885258
0.00121779 -0.00017747 -0.00079385
0.01082100 -0.00603789 -0.00044378
14.74793772 -3.94294394 -0.70110265
-0.00025095 0.00066736 0.00092915
-0.01705645 -0.00077824 0.00313319
17.21311355 -5.51071479 -0.74173254
0.00039617 -0.00063080 0.00031026
-0.01108462 0.01481233 0.00280424
12.40235603 8.00525526 11.71611230
0.00048211 0.00037394 0.00013039
-0.02041812 -0.00039162 0.04223358
13.40257098 9.69407433 9.56279805
0.00046394 0.00040526 0.00114052
-0.00562048 -0.00277285 -0.00183388
-0.18837815 -14.36621767 17.19790052
0.00035499 -0.00051712 0.00015336
0.01460435 -0.01116400 -0.00078854
1.41688867 -12.30280513 18.24539387
-0.00014239 -0.00001982 0.00014901
0.00881608 0.02599076 0.01221142
-3.79156917 -2.40866087 -13.58022419
0.00014382 -0.00053246 0.00042411
-0.01248374 0.02540687 -0.00134213
-3.33227056 -0.77724364 -15.83678319
-0.00024732 -0.00089213 -0.00018430
0.02866393 -0.00040500 -0.04983041
14.17485169 -8.18856605 -10.39039726
0.00077126 -0.00015982 -0.00068598
-0.00988338 -0.00776998 -0.03778598
16.44266139 -6.40580783 -9.45703006
0.00051661 0.00050261 -0.00080458
-0.02505164 -0.01350596 0.01102389
7.08249381 -5.69383481 9.03035552
-0.00061480 -0.00060968 -0.00050884
0.01094691 -0.02361441 -0.00215761
9.38345434 -6.08099772 7.31573052
0.00072584 -0.00091154 -0.00011548
-0.00572243 -0.01449785 0.02121538
-21.56535344 1.94034671 20.89382558
-0.00058777 0.00045536 0.00075011
0.00717366 0.00524672 0.02098395
-21.92457405 0.86731356 23.65555613
-0.00061491 0.00078907 0.00136558
-0.00440921 -0.00212018 -0.00129860
26.66339603 -3.02142407 -6.42420268
0.00028174 0.00009664 -0.00046340
-0.00673863 0.00296758 -0.00405223
25.16071727 -1.55502769 -8.42623949
0.00033843 -0.00033230 -0.00028890
0.00007144 0.00631357 0.00085059
9.23294544 -15.84697045 -7.65616721
0.00064807 0.00017493 -0.00005345
0.01001551 0.03045351 -0.00214449
8.96696915 -12.82770321 -6.98381162
0.00069861 -0.00030998 0.00037708
-0.00375160 -0.00313702 0.00350806
-5.87056855 -11.09992527 18.06921244
-0.00028258 0.00005085 0.00048910
-0.00854821 -0.02324850 -0.01370033
-7.31929808 -11.34709962 15.57746758
0.00037982 -0.00021538 -0.00002675
0.00556298 -0.00573736 0.00230629
8.51280974 1.53080439 -29.35271626
-0.00024252 -0.00063419 0.00032514
0.00569752 0.02568597 -0.00054244
6.49326435 3.29246099 -30.22051634
-0.00040739 0.00061274 0.00120847
-0.01031657 0.00210954 -0.00610314
12.51228317 15.39583056 14.47058574
0.00066068 0.00074354 0.00039644
0.01167107 -0.00771773 0.00517788
11.05520205 15.86361928 17.10428996
0.00030361 0.00008171 0.00114737
0.00727281 0.00229861 -0.00052188
29.42952291 4.82733455 -4.35304917
-0.00031648 -0.00007592 -0.00003263
-0.01436820 0.00838952 -0.00184031
26.92818169 6.45373523 -3.78186923
0.00043202 -0.00036610 -0.00039403
-0.01430562 0.00144789 -0.00795963
-9.94340305 4.85138018 6.76355235
0.00001692 -0.00003997 -0.00024254
-0.00268696 0.00977052 -0.00091566
-8.70555711 13.29983142 2.59622305
-0.00006793 0.00006847 0.00000267
-0.00393647 0.00064090 -0.00169320
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09482109
0.30736559
409.54923489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.234 s
total exchange = -52.3862052403 (a.u.)
total exchange computation time: 2.5133221149 s
-154.1699375486
-931.39894831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.240 s
total exchange = -52.3858695475 (a.u.)
total exchange computation time: 2.5166671276 s
-154.1737414657
Anderson extrapolation: theta=1.3613037050 (1.3613037050)
-931.39913846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.232 s
total exchange = -52.3852961255 (a.u.)
total exchange computation time: 2.5124340057 s
-154.1799665473
Anderson extrapolation: theta=0.0551757038 (0.0551757038)
-931.39925368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.227 s
total exchange = -52.3851727958 (a.u.)
total exchange computation time: 2.5117070675 s
-154.1811555468
Anderson extrapolation: theta=1.9533611802 (1.9533611802)
-931.39925817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.230 s
total exchange = -52.3849036497 (a.u.)
total exchange computation time: 2.5136210918 s
-154.1836796140
Anderson extrapolation: theta=0.2215858841 (0.2215858841)
-931.39926287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.323 s
total exchange = -52.3848347941 (a.u.)
total exchange computation time: 2.5121619701 s
-154.1842735636
Anderson extrapolation: theta=1.8217540657 (1.8217540657)
-931.39926375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.324 s
total exchange = -52.3847278864 (a.u.)
total exchange computation time: 2.5139958858 s
-154.1851539259
Anderson extrapolation: theta=0.2841545009 (0.2841545009)
-931.39926479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.322 s
total exchange = -52.3847166948 (a.u.)
total exchange computation time: 2.5141949654 s
-154.1852073385
Anderson extrapolation: theta=1.3220393569 (1.3220393569)
-931.39926506
-71.404641 67.260233 142.329374
559.495442 1031.391707 -411.857136
488.090801 1098.651940 -269.527763
1232.036497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 3.236 s
total exchange = -52.3847162651 (a.u.)
total exchange computation time: 2.5144410133 s
679.11996653
-1084.07572089
89.81787397
-388.97558164
-174.90108699
78.47555417
551.60419304
0.00000000
-931.39926528
3.95435189 -30.82512840 -2.27732186
0.00014725 -0.00036861 0.00000550
0.00027793 -0.01301935 0.00123198
-11.55843659 -1.86089926 -9.22851750
0.00021968 0.00039869 -0.00009494
-0.01397346 0.00139823 -0.00644922
-37.46953127 2.46029450 0.10115091
-0.00006689 -0.00010316 0.00026605
-0.02475986 0.02114346 -0.01363345
-11.70929486 -4.09855222 3.85233189
-0.00020775 -0.00018483 0.00011964
0.04362165 -0.01534076 0.00010544
4.30935800 -3.93953337 9.26553222
-0.00035724 -0.00022548 -0.00028367
0.01144953 0.00588537 -0.00751478
-32.05755816 -0.51148642 -0.44112579
-0.00045119 0.00038346 0.00028261
0.00400366 -0.03938764 -0.02548616
14.56447528 12.60565448 -13.86070733
-0.00052575 -0.00005670 0.00013757
0.05200740 -0.02570656 0.05328037
-7.70499644 6.03925571 2.56171060
-0.00004923 0.00012409 0.00010145
-0.00088599 -0.03456452 -0.02382274
7.57419344 12.56301244 -5.80563707
0.00001328 -0.00013153 -0.00032409
0.00438992 0.00039219 -0.00399090
8.85377200 9.87568869 -18.96570259
-0.00009438 0.00010094 0.00016694
0.00828227 0.00531338 -0.02808315
23.35653185 17.30485237 -2.18094943
-0.00015913 -0.00002723 -0.00011328
-0.02622176 0.04458474 0.00963999
2.22076035 16.87467377 -19.56426280
-0.00023962 -0.00013905 -0.00034294
0.01372999 -0.01811203 0.04014559
14.01591282 -1.21458750 -5.58632663
0.00007304 0.00024343 -0.00040758
0.00263109 -0.00028836 0.01236042
-16.06688976 -1.45442172 3.19273548
0.00012153 0.00026956 0.00007980
-0.00076053 -0.02390086 0.00625665
-16.73188433 -1.91462348 19.04906724
0.00046102 -0.00017860 -0.00046907
0.00481303 -0.00499863 0.00323882
0.39982067 2.01837933 -4.95689179
0.00000076 0.00007356 0.00017480
-0.00464390 0.03061931 0.00197134
22.58149006 -7.14635512 -8.87028612
0.00013137 0.00013502 0.00012213
0.03157468 -0.01693352 -0.00784633
-0.65216168 -6.38348485 7.23987623
-0.00013513 0.00019453 -0.00004974
0.00380717 0.00338847 0.00557398
-1.76113195 -1.40072376 -19.33607356
0.00014791 -0.00007977 -0.00001030
-0.01927404 0.00666137 -0.00963750
3.22950087 2.01323960 -9.30360094
-0.00009906 -0.00033389 0.00009470
0.02587582 -0.01582752 0.01021101
-3.84798865 17.84220225 12.30437638
-0.00022066 -0.00014617 0.00007285
0.01790457 0.01509291 0.00289493
-3.85957695 4.97715837 -11.07337619
-0.00004189 0.00001192 -0.00011204
0.02394475 0.00055303 0.03404878
-7.98941487 2.98514059 -8.98714842
0.00022284 -0.00024286 -0.00006569
-0.01139601 -0.00693715 0.01648112
2.24417746 27.42166007 8.60162858
0.00021144 0.00012294 0.00023650
0.00548301 0.00613304 -0.01841285
9.81631122 -6.20731227 -1.86322003
-0.00027433 -0.00013311 0.00016652
-0.00930837 0.01645455 -0.01590113
-8.74992662 0.76048718 6.00736597
0.00016817 0.00016346 0.00005791
-0.00294122 0.02118189 -0.02195723
20.35061902 10.80685812 8.88066658
-0.00006011 0.00014151 -0.00009774
0.00065463 -0.03810211 0.00620327
-2.29437003 -2.11898213 -27.26281195
0.00041106 0.00010122 -0.00025216
-0.03935989 -0.02965897 0.01285484
-14.32819302 6.16183314 7.68695799
-0.00004126 0.00012677 0.00027619
0.00134208 -0.00725769 -0.00422335
-9.58947191 7.28658352 -2.51957455
0.00017825 0.00005800 0.00018890
-0.02834371 -0.00165229 -0.00712500
-1.78293110 -15.55036690 23.62589566
-0.00027932 0.00024585 -0.00034883
0.03415994 0.00320926 -0.00372381
-2.65240095 6.30384565 -6.28602068
-0.00014291 0.00004848 0.00006172
-0.02106416 0.02291852 -0.00630996
-20.06150472 31.01128421 4.29148657
0.00005557 -0.00031619 -0.00027016
-0.00375615 -0.03849095 -0.01734489
7.60112032 0.13025640 7.85084717
0.00001602 0.00037178 -0.00049950
0.01248969 0.01648680 0.02904957
5.67736250 11.51731927 -13.68845711
0.00036270 0.00022011 0.00047177
0.00059912 -0.02332804 0.01108839
15.55231051 2.85454973 -1.92502821
-0.00013819 -0.00017607 0.00015820
0.01414781 0.00539221 0.00772589
-4.34234177 13.48951259 -0.93536348
-0.00019279 -0.00027791 0.00022384
0.01387708 -0.01421943 0.01635438
4.60678111 12.42045533 3.11525805
0.00026846 0.00001345 -0.00040182
-0.01873430 0.01615339 -0.00885751
24.99355058 -11.66735191 -9.75049275
0.00011994 0.00015318 -0.00021531
-0.01459873 0.01014355 -0.00212219
16.51505626 -3.76710580 -0.51111199
0.00023723 0.00025802 -0.00023371
0.03263630 -0.01327790 -0.00506818
12.98610733 7.95909734 10.06136644
0.00016363 0.00001140 0.00013318
0.02678667 0.00039295 -0.04749614
1.59984716 -13.97285040 17.65819363
-0.00009156 -0.00018827 -0.00007022
-0.00975739 -0.01107100 -0.01250724
-4.18140717 -0.70980104 -14.31336581
0.00041797 0.00004360 0.00028987
-0.00823985 -0.02405816 0.04740452
15.10557766 -7.77042793 -8.94598818
-0.00005491 0.00041859 0.00029688
0.02380679 0.01916477 0.02166732
8.51926198 -6.93687522 8.77253482
-0.00036543 -0.00028273 0.00029293
0.00687250 0.04357608 -0.02747332
-21.23876665 2.30255146 22.72637939
0.00017211 -0.00007492 -0.00005510
-0.00170689 -0.00007830 -0.01658701
25.71763913 -3.24804215 -7.99720402
-0.00015697 -0.00003252 -0.00024807
0.01357857 -0.00176960 0.00662567
9.83932760 -14.07126396 -8.00310272
0.00005225 0.00019011 -0.00045357
-0.00015007 -0.02334864 -0.00372863
-6.63137815 -12.42646357 16.92367123
-0.00034733 -0.00023326 0.00015129
0.02229666 0.04567347 0.00293320
8.10186696 3.36627928 -29.36351508
-0.00041467 -0.00035738 0.00000820
0.00574389 -0.03852416 0.00180742
10.85167418 15.38659483 15.34275422
-0.00003421 -0.00013811 -0.00001940
0.00698905 0.02672368 -0.00331969
28.61584583 6.08704886 -3.25095181
0.00014728 0.00019114 -0.00028454
0.02483966 -0.00033898 0.01256993
5.46941468 -31.22189967 -3.21002768
-0.00021867 -0.00026454 -0.00005517
0.00338702 -0.00511644 -0.01150337
4.17254496 -31.60082437 -0.64544060
0.00081134 0.00051510 0.00038888
0.00100850 -0.00027451 0.01201652
-11.64646735 -3.62662231 -8.67527110
-0.00006275 -0.00004220 0.00020982
-0.00481624 0.00771558 -0.00597098
-12.64551570 -1.61475401 -10.70628409
-0.00000222 0.00119591 -0.00045213
0.00972518 -0.00555321 0.01035591
-39.08081381 2.01304564 0.92464563
0.00033469 -0.00007513 -0.00016858
0.01613619 0.00524159 -0.00450209
-37.91216990 4.04418225 -0.95391730
-0.00033298 -0.00013585 -0.00009370
0.00921571 -0.02827880 0.01810348
-10.49624067 -5.62376110 3.61412750
0.00057147 0.00002271 -0.00021410
-0.02688370 0.02181380 0.00112828
-10.51179300 -2.69727698 3.61496817
-0.00006684 0.00031542 -0.00005742
-0.01061643 -0.00847408 0.00310906
5.04560229 -2.51248409 8.34814722
-0.00035588 0.00095052 -0.00056652
-0.00564942 -0.00218306 0.00624436
4.74877264 -3.59525835 11.02446036
-0.00050107 0.00010339 0.00002603
-0.00928946 0.00003107 0.00186077
-33.38074534 -1.74109444 -0.70101929
-0.00018475 0.00015487 0.00037668
-0.00460728 0.00308120 0.00658942
-32.62041379 0.61870859 0.78426042
-0.00009023 0.00092232 0.00093780
-0.01646867 0.02632485 0.02155936
14.58257552 12.62147446 -15.62032723
-0.00045502 -0.00021642 0.00148862
-0.00926418 0.00518209 -0.04682917
16.34050868 11.92519405 -13.48414961
0.00023911 0.00022429 -0.00004355
-0.03635686 0.01973451 -0.00482339
-8.77960522 7.19943127 1.57222414
0.00013576 0.00017100 0.00054491
0.01399084 -0.01453788 0.00185680
-7.40784596 4.48880691 1.37053168
0.00004808 0.00040240 0.00006628
-0.00956619 0.04659916 0.02029114
6.16271393 12.31387549 -6.89469603
-0.00044083 -0.00004976 -0.00045317
-0.01245531 -0.00171508 -0.00693189
8.84033550 13.70060803 -6.81009885
-0.00035475 -0.00027856 0.00043424
-0.00816154 -0.01330079 0.01605946
8.46098877 8.85068450 -20.46939363
0.00004260 -0.00007348 -0.00022484
0.00599126 0.00883407 0.01365571
10.03384331 11.22122207 -19.59925246
-0.00053358 0.00017430 -0.00091705
-0.00402075 -0.02156808 0.01144368
23.69712193 15.61808360 -2.56274883
-0.00018653 0.00019116 0.00003525
0.01779091 -0.03286534 -0.01294025
24.97770445 18.19679556 -2.27194625
-0.00006627 0.00014491 0.00033881
-0.00736921 0.00090128 -0.00486633
1.46618766 16.76398475 -21.22574050
0.00092512 0.00039449 0.00027652
0.00234016 -0.00112923 -0.01274053
3.11430870 15.22014705 -19.09157881
0.00105047 0.00060862 -0.00034499
-0.01174640 0.02257675 -0.01763030
12.69388154 -0.55366603 -6.66995467
-0.00078109 -0.00020727 0.00066550
-0.00329320 -0.01300300 -0.00392438
13.36011193 -1.22240001 -3.86950727
-0.00028850 0.00066365 -0.00005690
-0.00078478 0.00382617 -0.00994193
-17.37707532 -2.72220863 2.81535053
-0.00128349 0.00076924 -0.00140682
-0.00032245 0.00770914 0.00462921
-14.62273722 -2.55860578 3.60276881
0.00030833 0.00046585 -0.00028691
-0.00409252 0.00395871 -0.01043313
-16.30231376 -0.47748627 20.13987164
-0.00096102 -0.00020670 0.00062828
-0.00061740 0.00387976 -0.00104348
-15.48614193 -3.17399170 19.47087890
0.00074860 -0.00089739 0.00050939
0.00361253 0.00000461 0.00363111
-0.75994802 0.59974878 -5.09093449
0.00053842 -0.00103575 0.00046562
-0.00263793 -0.01319139 0.00071469
-0.74090173 3.49233012 -5.00379922
0.00064278 -0.00010604 0.00005477
0.00673737 -0.00958928 0.00250868
23.52520670 -8.79967409 -9.19210737
0.00069529 0.00024524 0.00033113
-0.02072686 0.02447993 0.00393873
23.97158362 -5.88082585 -8.74460990
0.00074281 -0.00071718 -0.00022297
-0.01858574 -0.00779415 0.00475211
0.33481391 -5.97655972 5.73471609
-0.00061415 -0.00072751 -0.00018420
-0.00021825 0.00013188 0.00467624
0.18219498 -5.51137529 8.64436964
0.00065657 -0.00140830 0.00050532
-0.00022417 -0.00787684 -0.01154720
-0.77254928 -2.85221754 -18.84050815
0.00015948 0.00104651 -0.00072161
-0.00310829 -0.00522640 -0.00895932
-3.05994807 -1.84147994 -20.64417315
-0.00007636 0.00040998 -0.00014669
0.01833670 -0.00569494 0.01988795
2.62260189 2.31226162 -10.95896686
-0.00038066 0.00079889 -0.00024268
-0.00636612 0.01255924 -0.01699089
2.17274539 2.75072996 -8.03454775
0.00065453 -0.00066894 0.00001885
-0.01553424 -0.00141313 0.00980346
-2.38950015 16.66428426 12.41500198
0.00110569 -0.00044385 -0.00010364
0.00103012 0.00842984 0.00520499
-3.45705120 19.25709475 13.50621449
0.00006771 -0.00089091 0.00052981
-0.00579754 -0.02741791 -0.01119716
-4.78116406 6.25903182 -11.82875289
-0.00061669 -0.00011084 0.00186316
-0.02782520 0.03828333 -0.01447428
-3.54030149 3.86913998 -12.38751140
-0.00107813 0.00017441 0.00069595
0.01132226 -0.03746967 -0.03123783
-7.84976759 2.10199580 -7.36419307
0.00053759 -0.00020083 0.00038833
0.00630577 0.00895260 -0.01629392
-6.29933307 3.49078162 -9.43283553
-0.00090061 -0.00078252 0.00050191
0.00253774 0.00000341 0.00191673
2.59676447 28.30865702 6.97739334
0.00102181 -0.00001795 -0.00021849
-0.00991353 -0.01340473 0.02297032
0.67506023 28.06658877 9.24626590
0.00098406 0.00059798 0.00009212
-0.00206484 0.00346758 -0.00402366
10.61986002 -7.42721663 -0.82911289
-0.00017247 0.00008783 -0.00039508
0.01509434 -0.01173030 0.01966326
8.68023416 -7.20218013 -2.88096681
-0.00017811 0.00048407 -0.00018443
-0.00704660 -0.00439255 -0.00096546
-6.95647280 0.58489331 6.28795572
-0.00045603 0.00039759 0.00023033
0.00456570 -0.01166403 0.00908891
-9.52722728 -0.59925234 6.85273319
-0.00082291 0.00001642 0.00066562
-0.00728985 -0.01562198 0.01595906
21.76697396 10.09056615 9.82014522
0.00026647 0.00026766 0.00022246
-0.00834279 0.00736455 0.00454745
21.00611610 12.33713482 8.24322619
-0.00006933 -0.00009824 0.00031361
0.00693931 0.03601208 -0.00993720
-1.54705705 -3.69428806 -26.49862017
0.00063998 -0.00065628 0.00014394
-0.00333180 0.02950466 -0.00815926
-4.15334807 -2.18524777 -26.78868756
0.00052591 0.00010068 -0.00018480
0.03855656 0.00302263 -0.00732809
-13.99421611 7.18403556 9.17104019
0.00063797 -0.00021530 0.00037324
-0.00477298 0.00271404 -0.00724136
-15.43021536 7.13023751 6.57308096
-0.00046623 -0.00028754 0.00045811
0.01237115 -0.00032050 0.01277780
-11.25921581 7.31294898 -3.32775995
-0.00043385 0.00079717 0.00106456
0.01124966 -0.00291581 0.01155477
-8.61115237 8.32159447 -3.72182780
0.00102071 0.00009014 0.00011351
0.00201999 -0.00401924 0.00687159
-1.21474496 -17.28784717 23.35953925
0.00063802 0.00084260 -0.00050704
0.01243503 -0.00166719 -0.00545741
-3.45826038 -15.75942411 24.12539351
0.00113159 0.00069542 -0.00111086
-0.04028187 0.00419369 0.01111411
-2.37408946 6.03237277 -8.09375492
0.00079878 0.00071276 0.00067761
-0.00702077 0.00012106 0.00866771
-4.14254659 7.51452067 -6.19024296
-0.00050943 -0.00118571 0.00049688
0.02133444 -0.02126261 0.00211429
-21.28451887 30.30696561 3.07436645
-0.00066594 -0.00144037 -0.00015683
0.00113101 -0.00771439 -0.00974698
-21.22055234 31.50131430 5.52332099
0.00015115 -0.00123297 0.00058008
-0.02352993 0.01826645 0.03423436
7.12075242 -0.16581700 6.14897663
0.00013624 -0.00094485 0.00014596
-0.01114116 -0.00267028 -0.02773293
7.63824597 1.96894664 8.01447405
0.00040068 0.00008633 0.00032450
-0.00507367 -0.00708549 0.00121561
7.04610129 12.69973976 -14.12436968
0.00009024 -0.00033343 -0.00026663
-0.00063239 0.00710870 0.00983559
4.36965042 11.82226187 -14.86912868
-0.00089819 -0.00007683 -0.00082814
-0.00769562 0.00651285 -0.01226765
14.49347742 3.74200015 -3.12149188
-0.00016768 -0.00017221 0.00012199
-0.00175288 0.00008760 0.00659677
15.08493964 1.09348411 -1.90975253
-0.00051362 -0.00102219 -0.00014242
-0.00110311 0.00826995 -0.00242029
-2.61402092 13.26962884 -0.34859418
0.00004601 -0.00049739 0.00000651
-0.00294331 0.00118944 -0.01014430
-5.26393135 12.84803139 0.56697186
-0.00039967 0.00003256 0.00058713
-0.00767832 0.00784804 -0.01303356
3.80225613 10.75634653 3.53854723
-0.00075030 -0.00104919 0.00037510
-0.00290284 0.01454224 -0.00514924
6.35977199 12.02949718 3.17429223
-0.00037379 -0.00059457 -0.00082295
0.02350127 -0.00464180 0.00263725
25.14876761 -12.78932814 -8.32638198
-0.00011624 0.00100648 0.00023338
0.00761448 -0.00545398 -0.00134420
26.38636646 -11.52216125 -10.98077387
0.00125058 -0.00020225 -0.00078587
0.00523184 -0.00609493 0.00434749
14.74365081 -3.93295742 -0.68706936
-0.00031397 0.00066388 0.00094272
-0.01379233 -0.00092492 0.00350858
17.21871640 -5.51972288 -0.73699272
0.00034647 -0.00056248 0.00032219
-0.01324404 0.01862997 0.00303769
12.40896199 8.01085242 11.71936234
0.00039825 0.00037085 0.00030361
-0.02062885 -0.00112463 0.04255665
13.40935788 9.70006823 9.57984967
0.00044058 0.00039111 0.00113142
-0.00581645 -0.00415331 -0.00261879
-0.18260580 -14.37431654 17.20017673
0.00040966 -0.00056259 0.00014927
0.01215618 -0.01109612 -0.00121161
1.41502291 -12.30230602 18.24800326
-0.00010637 0.00008106 0.00019708
0.00881637 0.02339182 0.01131941
-3.78979449 -2.41586923 -13.57390368
0.00009204 -0.00042330 0.00041677
-0.01286263 0.02802835 -0.00224865
-3.33510202 -0.79063805 -15.84107462
-0.00013311 -0.00089387 -0.00038389
0.02724461 -0.00044383 -0.04787057
14.18611777 -8.19120143 -10.40184483
0.00073534 -0.00018971 -0.00083035
-0.00770092 -0.00686097 -0.03288582
16.44964292 -6.39868250 -9.46876091
0.00041227 0.00044559 -0.00075591
-0.02602392 -0.01440882 0.01279756
7.07360724 -5.70370367 9.02265678
-0.00057053 -0.00070373 -0.00051778
0.01072322 -0.02242230 -0.00221693
9.39416654 -6.09511512 7.31464837
0.00069801 -0.00097201 -0.00002345
-0.00790090 -0.01510065 0.02383492
-21.57395015 1.94733794 20.90572031
-0.00056009 0.00047336 0.00082720
0.00637726 0.00356314 0.01675137
-21.93393285 0.87908467 23.67599997
-0.00063135 0.00078339 0.00135589
-0.00363868 -0.00066155 -0.00344331
26.66741561 -3.01988351 -6.43127789
0.00025396 0.00010821 -0.00048041
-0.00686006 0.00269750 -0.00427088
25.16579587 -1.55981872 -8.43054685
0.00033627 -0.00030075 -0.00028726
-0.00112854 0.00913107 -0.00005072
9.24297340 -15.84341332 -7.65703467
0.00068827 0.00029763 -0.00006207
0.00966275 0.02960819 -0.00207342
8.97733330 -12.83244902 -6.97804787
0.00068199 -0.00032053 0.00039270
-0.00438234 -0.00202577 0.00413796
-5.87506918 -11.09987487 18.07612905
-0.00031903 -0.00004712 0.00043055
-0.00929367 -0.02470860 -0.01495836
-7.31343032 -11.35050618 15.57713695
0.00040110 -0.00023762 -0.00001879
0.00485565 -0.00514603 0.00159044
8.50934648 1.52207861 -29.34785582
-0.00022177 -0.00052565 0.00032171
0.00446020 0.02744689 -0.00113355
6.48683729 3.30171669 -30.20257632
-0.00045610 0.00061916 0.00117918
-0.01352657 0.00103258 -0.00823575
12.52255107 15.40674712 14.47669104
0.00070396 0.00071081 0.00041803
0.00951433 -0.00830421 0.00538799
11.05997912 15.86491538 17.12148445
0.00033047 0.00008666 0.00112854
0.00587335 0.00012290 -0.00869497
29.42433541 4.82645287 -4.35359503
-0.00037254 -0.00004346 -0.00004134
-0.01307390 0.00749681 -0.00242319
26.93422364 6.44828812 -3.78802359
0.00036835 -0.00035843 -0.00042739
-0.01686278 0.00230350 -0.00837232
-9.94315642 4.85080687 6.75991180
0.00001597 -0.00003643 -0.00024286
-0.00266133 0.01001282 -0.00087888
-8.70658286 13.30085957 2.59626014
-0.00006884 0.00006863 0.00000227
-0.00391062 0.00076053 -0.00173576
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09490508
0.30436021
405.54471473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3796369086 (a.u.)
total exchange computation time: 2.5310380459 s
-154.1473688910
-931.39488263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.415 s
total exchange = -52.3793670802 (a.u.)
total exchange computation time: 2.5323801041 s
-154.1507657422
Anderson extrapolation: theta=1.3609588980 (1.3609588980)
-931.39508337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3789185638 (a.u.)
total exchange computation time: 2.5328950882 s
-154.1562383875
Anderson extrapolation: theta=0.0563484020 (0.0563484020)
-931.39520556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.415 s
total exchange = -52.3788307903 (a.u.)
total exchange computation time: 2.5315179825 s
-154.1572303456
Anderson extrapolation: theta=2.0058656459 (2.0000000000)
-931.39521065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.411 s
total exchange = -52.3786435669 (a.u.)
total exchange computation time: 2.5307278633 s
-154.1593152013
Anderson extrapolation: theta=0.2347370818 (0.2347370818)
-931.39521636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.413 s
total exchange = -52.3786032754 (a.u.)
total exchange computation time: 2.5324919224 s
-154.1597567184
Anderson extrapolation: theta=1.7954466934 (1.7954466934)
-931.39521753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.419 s
total exchange = -52.3785545296 (a.u.)
total exchange computation time: 2.5305199623 s
-154.1603088475
Anderson extrapolation: theta=0.2860817640 (0.2860817640)
-931.39521895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3785623822 (a.u.)
total exchange computation time: 2.5324079990 s
-154.1602475393
Anderson extrapolation: theta=1.2821430291 (1.2821430291)
-931.39521932
-71.398283 67.181916 142.363456
559.521481 1031.379528 -411.790637
488.123197 1098.561444 -269.427181
1231.946633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3785863234 (a.u.)
total exchange computation time: 2.5308258533 s
679.04305895
-1083.89253742
89.81796374
-389.09898165
-174.88613693
78.37401592
551.60419304
0.00000000
-931.39521963
3.95656168 -30.83070784 -2.27723455
0.00014693 -0.00037514 0.00000649
-0.00151728 -0.01235722 0.00260361
-11.55519529 -1.85491348 -9.22996648
0.00021205 0.00039888 -0.00009859
-0.01570406 -0.00068252 -0.00775441
-37.47063019 2.45882868 0.10508910
-0.00007891 -0.00009180 0.00025837
-0.02195886 0.02303180 -0.01623512
-11.71224280 -4.10138391 3.85412693
-0.00018453 -0.00019225 0.00011950
0.04664806 -0.01348784 -0.00065220
4.30404351 -3.94289280 9.26124813
-0.00035059 -0.00022094 -0.00028791
0.01440923 0.01174064 -0.00896308
-32.06431064 -0.50588638 -0.43698491
-0.00044948 0.00036447 0.00027073
0.00265857 -0.03449226 -0.02072140
14.55678963 12.60470476 -13.85843821
-0.00049830 -0.00007007 0.00016818
0.05475446 -0.02627113 0.06575023
-7.70573828 6.04098372 2.56314047
-0.00004938 0.00010622 0.00008970
0.00029794 -0.03491170 -0.02187111
7.57440962 12.56104096 -5.81051379
0.00001428 -0.00013187 -0.00032620
-0.00049367 -0.00171596 -0.00422554
8.85238827 9.87722331 -18.96330686
-0.00009005 0.00010343 0.00015169
0.00855259 0.00434892 -0.03120611
23.35404371 17.30461598 -2.18261137
-0.00017245 -0.00000382 -0.00010829
-0.02557920 0.04642595 0.00974405
2.21721898 16.87251814 -19.56925200
-0.00023167 -0.00014793 -0.00032052
0.01720558 -0.01641696 0.04704036
14.01701862 -1.21093715 -5.59239271
0.00007405 0.00024327 -0.00040011
0.00126895 -0.00032652 0.01668739
-16.06506971 -1.45047045 3.19395667
0.00011984 0.00025668 0.00008256
-0.00583448 -0.02619136 0.00444708
-16.72495046 -1.91732180 19.04204368
0.00046462 -0.00018204 -0.00046663
0.00917105 -0.00835847 0.00625954
0.39981409 2.01960077 -4.95426226
-0.00000129 0.00008787 0.00017582
-0.00331195 0.02505433 0.00199863
22.58358243 -7.14439516 -8.86848445
0.00014777 0.00012601 0.00011804
0.03217856 -0.01810701 -0.00804868
-0.65417392 -6.38055385 7.23915168
-0.00013367 0.00019588 -0.00004629
0.00186939 0.00185736 0.00781603
-1.75898766 -1.40189458 -19.33626516
0.00013673 -0.00007449 -0.00001587
-0.02418107 0.01385793 -0.01202507
3.22811486 2.00817020 -9.30214099
-0.00008555 -0.00034229 0.00009771
0.02664297 -0.01682117 0.00145854
-3.85122952 17.84006797 12.30548023
-0.00020990 -0.00013987 0.00007419
0.02396355 0.00940476 0.00231642
-3.86011295 4.97733927 -11.07492541
-0.00002903 0.00001258 -0.00009229
0.02606191 0.00200978 0.04273307
-7.98611623 2.98147091 -8.98807013
0.00021468 -0.00024745 -0.00005591
-0.02032800 -0.01091565 0.02154629
2.24737019 27.42352789 8.60510502
0.00021544 0.00012599 0.00022604
0.01008396 0.00570303 -0.02226112
9.81216032 -6.20924549 -1.86078355
-0.00027927 -0.00012378 0.00015805
-0.00989776 0.01982999 -0.01703661
-8.74741536 0.76302074 6.00814999
0.00016456 0.00017296 0.00004734
-0.01110612 0.01578857 -0.01917150
20.34971987 10.80883376 8.87922447
-0.00005944 0.00012117 -0.00009402
0.00194784 -0.04100226 0.00826093
-2.28835599 -2.11757825 -27.26654472
0.00039152 0.00008497 -0.00024517
-0.03662414 -0.03351574 0.01429919
-14.32880673 6.16370667 7.69108459
-0.00004038 0.00012278 0.00027410
0.00206908 -0.00827098 -0.00389770
-9.58690751 7.28744715 -2.51676848
0.00016383 0.00005746 0.00018498
-0.02773660 -0.00045193 -0.00812415
-1.78698914 -15.54666676 23.62064891
-0.00025788 0.00024842 -0.00035178
0.04921554 0.00676370 -0.00775117
-2.65462583 6.30466120 -6.28511921
-0.00015334 0.00005987 0.00005954
-0.01948614 0.02140202 -0.00217854
-20.06068566 31.00639284 4.28736720
0.00005236 -0.00033622 -0.00027925
-0.00874488 -0.03940166 -0.01799750
7.60140877 0.13589665 7.84346679
0.00002275 0.00037974 -0.00048346
0.01370431 0.01446381 0.03331754
5.68280525 11.52053096 -13.68133783
0.00035958 0.00020811 0.00047512
-0.01270035 -0.02332608 0.00194347
15.55029222 2.85192954 -1.92262544
-0.00013137 -0.00017493 0.00016212
0.01235749 -0.00096890 0.00751569
-4.34518002 13.48528914 -0.93194279
-0.00018556 -0.00028530 0.00023258
0.01420612 -0.01451836 0.01764167
4.61073575 12.42071937 3.10919658
0.00025699 0.00002036 -0.00040590
-0.02588771 0.01071938 -0.00702042
24.99529340 -11.66501506 -9.75373058
0.00011375 0.00015876 -0.00021788
-0.00946522 0.01154627 -0.00786410
16.51874062 -3.76328674 -0.51463725
0.00025349 0.00025037 -0.00023645
0.03059237 -0.01645358 -0.00558441
12.98866517 7.95926979 10.06318091
0.00017730 0.00001203 0.00010935
0.02636148 0.00206867 -0.04516557
1.59843609 -13.97571720 17.65709213
-0.00009590 -0.00019303 -0.00007618
-0.00711238 -0.00741668 -0.01066248
-4.17516945 -0.70923992 -14.30883496
0.00041439 0.00003075 0.00031334
-0.00565711 -0.02590872 0.04386668
15.10484588 -7.76407516 -8.94145135
-0.00004324 0.00042832 0.00030622
0.02155455 0.01868453 0.01464261
8.51380703 -6.94094809 8.77682280
-0.00036119 -0.00026050 0.00027828
0.00960392 0.04285856 -0.02950973
-21.23619152 2.30142739 22.72548891
0.00017125 -0.00007490 -0.00006180
-0.00164206 0.00015793 -0.00945959
25.71533697 -3.24853678 -8.00089944
-0.00014968 -0.00003403 -0.00024439
0.01476466 -0.00410030 0.00765805
9.84011074 -14.06850244 -8.00992060
0.00005237 0.00017819 -0.00045564
0.00063559 -0.02296991 -0.00434963
-6.63650205 -12.42978627 16.92595194
-0.00033552 -0.00020965 0.00015322
0.02362647 0.04612288 0.00454553
8.09566907 3.36076996 -29.36338506
-0.00041065 -0.00037715 0.00000971
0.00990796 -0.03833226 0.00404192
10.85118806 15.38462630 15.34245041
-0.00002963 -0.00012366 -0.00001930
0.01078809 0.02945853 0.00369019
28.61815077 6.08991459 -3.25517141
0.00016021 0.00019102 -0.00027779
0.02547211 -0.00010176 0.01368776
5.46623846 -31.22602456 -3.21120773
-0.00020130 -0.00028631 -0.00010418
0.00511619 -0.00554050 -0.01248834
4.18474601 -31.59310635 -0.63923917
0.00081504 0.00051413 0.00043739
0.00080251 -0.00019645 0.01172972
-11.64755622 -3.62701887 -8.67230672
-0.00008274 -0.00000461 0.00018249
-0.00496576 0.01068405 -0.00740653
-12.64525092 -1.59698553 -10.71274870
0.00004114 0.00117082 -0.00040406
0.01150004 -0.00673032 0.01317289
-39.07529896 2.01207938 0.92197896
0.00039382 -0.00005572 -0.00018281
0.01280861 0.00425981 -0.00246322
-37.91688225 4.04127801 -0.95476806
-0.00029430 -0.00025242 -0.00001876
0.00972187 -0.02878334 0.01858278
-10.48849238 -5.62275203 3.61095052
0.00045962 0.00011268 -0.00020896
-0.02786660 0.02222557 0.00138766
-10.51312084 -2.69280532 3.61420217
-0.00011420 0.00027625 -0.00004371
-0.01256914 -0.01070079 0.00360060
5.04009093 -2.49829314 8.33984078
-0.00038421 0.00093008 -0.00053362
-0.00821638 -0.00782305 0.00986026
4.74097196 -3.59370648 11.02490782
-0.00053954 0.00010256 0.00002923
-0.00954414 -0.00043925 -0.00029581
-33.38365782 -1.73867696 -0.69516716
-0.00020488 0.00016763 0.00040421
-0.00524601 0.00316305 0.00688831
-32.62227192 0.63335007 0.79898808
-0.00015323 0.00101937 0.00101518
-0.01436727 0.02118254 0.01631936
14.57546629 12.61838692 -15.59943290
-0.00049346 -0.00019490 0.00127197
-0.00954968 0.00535308 -0.05922266
16.34298121 11.92916319 -13.48495072
0.00008613 0.00030597 -0.00006341
-0.03852522 0.02024728 -0.00489584
-8.77714009 7.20155084 1.58045467
0.00019017 0.00011440 0.00054978
0.01264383 -0.01317132 0.00052612
-7.40741785 4.49627092 1.37214762
0.00000918 0.00059068 0.00014785
-0.00947569 0.04556169 0.01964172
6.15571985 12.31307656 -6.90170606
-0.00048497 -0.00005551 -0.00047723
-0.00915472 -0.00110039 -0.00484413
8.83476415 13.69602202 -6.80309321
-0.00038512 -0.00033027 0.00049576
-0.00670434 -0.01200992 0.01405816
8.46181140 8.84985301 -20.47234782
0.00006723 -0.00003586 -0.00016480
0.00606319 0.00958008 0.01573398
10.02571641 11.22317560 -19.61265758
-0.00055028 0.00008607 -0.00086817
-0.00415317 -0.02161936 0.01248369
23.69486916 15.61994396 -2.56261662
-0.00011296 0.00005397 -0.00001803
0.01822077 -0.03429185 -0.01314182
24.97648464 18.19899686 -2.26701322
-0.00009768 0.00014751 0.00031791
-0.00800918 0.00036836 -0.00536480
1.48013621 16.76986749 -21.22198310
0.00092803 0.00038763 0.00021082
-0.00091543 -0.00222954 -0.01942120
3.12970576 15.22996823 -19.09729383
0.00100176 0.00069914 -0.00041716
-0.01209602 0.02173099 -0.01769845
12.68206421 -0.55717354 -6.66009249
-0.00079553 -0.00025907 0.00064565
-0.00377117 -0.01235546 -0.00579111
13.35576043 -1.21232797 -3.87066540
-0.00028795 0.00067804 -0.00010232
0.00104997 0.00321805 -0.01229314
-17.39633761 -2.71043381 2.79439001
-0.00127302 0.00080700 -0.00138347
0.00544801 0.01077356 0.00680526
-14.61823762 -2.55149666 3.59814542
0.00028998 0.00047923 -0.00032987
-0.00489138 0.00258949 -0.01059574
-16.31674797 -0.48046782 20.14926388
-0.00096295 -0.00019486 0.00062102
-0.00032650 0.00191454 -0.00251229
-15.47480222 -3.18745240 19.47863099
0.00075373 -0.00088652 0.00052116
-0.00110170 0.00531790 0.00213075
-0.75195261 0.58380829 -5.08392831
0.00053058 -0.00108231 0.00046882
-0.00119574 -0.00960023 0.00085312
-0.73105365 3.49044564 -5.00290085
0.00066452 -0.00014135 0.00006455
0.00390824 -0.00769336 0.00228112
23.53500096 -8.79524529 -9.18701968
0.00060856 0.00034357 0.00034649
-0.02173111 0.02365219 0.00357826
23.98215625 -5.89182236 -8.74780886
0.00066697 -0.00074504 -0.00020304
-0.01853807 -0.00584351 0.00500259
0.32559492 -5.98746838 5.73209640
-0.00061170 -0.00072479 -0.00016777
0.00141748 0.00120182 0.00336569
0.19203661 -5.53274120 8.65159565
0.00065623 -0.00143916 0.00045634
0.00005826 -0.00722876 -0.01242840
-0.77025235 -2.83668002 -18.85160682
0.00015574 0.00101101 -0.00075368
0.00127596 -0.01215321 -0.00674032
-3.06053164 -1.83550482 -20.64576403
-0.00000049 0.00038611 -0.00006495
0.01880423 -0.00598573 0.02012158
2.61669697 2.32462979 -10.96312767
-0.00040260 0.00084818 -0.00030143
-0.00437569 0.01156827 -0.01176903
2.18208740 2.74065249 -8.03396462
0.00058496 -0.00067047 0.00006592
-0.01852212 0.00066427 0.01324076
-2.37288323 16.65788479 12.41360681
0.00109838 -0.00040161 -0.00008340
-0.00460834 0.01224857 0.00470473
-3.45621319 19.24289099 13.51381853
0.00004381 -0.00099916 0.00048587
-0.00590276 -0.02557181 -0.01030977
-4.79126699 6.25854229 -11.80124900
-0.00073610 0.00005178 0.00179928
-0.03062960 0.04132211 -0.01679460
-3.55612650 3.87060798 -12.37802933
-0.00103054 0.00001229 0.00055534
0.01197244 -0.04189254 -0.03759324
-7.84151058 2.09925773 -7.35886743
0.00056160 -0.00016285 0.00031740
0.00544956 0.00963718 -0.01842410
-6.31276450 3.47904396 -9.42524811
-0.00087021 -0.00077608 0.00050371
0.01234509 0.00314934 -0.00103874
2.61178779 28.30797705 6.97481987
0.00097969 -0.00007529 -0.00011945
-0.01070216 -0.01466591 0.02551274
0.68975783 28.07566475 9.24752445
0.00096856 0.00061541 0.00007816
-0.00552146 0.00506322 -0.00280997
10.61773557 -7.42625857 -0.83443648
-0.00010816 0.00003504 -0.00031122
0.01638242 -0.01411418 0.02138581
8.67734654 -7.19505365 -2.88376279
-0.00020850 0.00046401 -0.00018961
-0.00782957 -0.00542916 -0.00157062
-6.96317337 0.59049979 6.29168911
-0.00042824 0.00034834 0.00026930
0.00903692 -0.01244477 0.00998839
-9.53979431 -0.59948467 6.86320654
-0.00084485 -0.00003508 0.00072324
-0.00344870 -0.00959159 0.01224471
21.77071535 10.09480666 9.82362141
0.00022840 0.00029916 0.00023892
-0.01029119 0.00805781 0.00351424
21.00528884 12.33676466 8.24762576
-0.00003959 0.00005338 0.00027082
0.00761746 0.03820795 -0.01100484
-1.53755945 -3.70322821 -26.49671111
0.00062316 -0.00052810 0.00010717
-0.00490021 0.03324220 -0.00983814
-4.14427791 -2.18364496 -26.79168414
0.00068129 0.00011309 -0.00021404
0.03750233 0.00305205 -0.00698388
-13.98479285 7.18088922 9.17641694
0.00061776 -0.00020352 0.00034313
-0.00511880 0.00305104 -0.00750107
-15.43682975 7.12591463 6.58034409
-0.00041599 -0.00028742 0.00051025
0.01222172 0.00037998 0.01274849
-11.26537886 7.32481723 -3.31143751
-0.00038460 0.00078566 0.00111145
0.01285747 -0.00271909 0.01139718
-8.59577985 8.32282348 -3.71991460
0.00102353 0.00007055 0.00014425
-0.00063783 -0.00557290 0.00817677
-1.20479362 -17.27525928 23.35176649
0.00068828 0.00083229 -0.00052955
0.01216838 -0.00338127 -0.00556341
-3.44252093 -15.74886423 24.10907114
0.00093770 0.00070810 -0.00105676
-0.05462971 0.00201183 0.01537104
-2.36232292 6.04306783 -8.08332509
0.00077017 0.00071199 0.00070511
-0.00698395 -0.00049502 0.00479217
-4.14953436 7.49608344 -6.18272498
-0.00042530 -0.00126865 0.00050459
0.01984855 -0.01933483 0.00166068
-21.29447333 30.28512360 3.07171539
-0.00065549 -0.00146663 -0.00019058
0.00398289 -0.00513859 -0.00677642
-21.21900609 31.48337952 5.53307117
0.00005954 -0.00116047 0.00071471
-0.02131632 0.01722272 0.03167074
7.12245459 -0.18007155 6.15031623
0.00008912 -0.00095372 0.00002701
-0.01192526 -0.00167472 -0.03049684
7.64410072 1.97002452 8.01937874
0.00037896 0.00005985 0.00032671
-0.00556038 -0.00587821 -0.00013079
7.04743547 12.69495621 -14.12806775
0.00009147 -0.00030079 -0.00022746
0.00123466 0.00886509 0.00933854
4.35594169 11.82130900 -14.88192675
-0.00090707 -0.00005492 -0.00085840
0.00334994 0.00421307 -0.00254080
14.49090856 3.73941965 -3.11945984
-0.00017470 -0.00017198 0.00014921
-0.00168673 0.00002736 0.00672498
15.07720148 1.07840472 -1.91196303
-0.00051435 -0.00097475 -0.00015185
0.00074884 0.01495336 -0.00219522
-2.61342099 13.26220450 -0.34880739
0.00003134 -0.00049243 -0.00003520
-0.00423815 0.00123431 -0.01027356
-5.27016173 12.84876021 0.57537948
-0.00042913 0.00006554 0.00053160
-0.00674169 0.00829717 -0.01415226
3.79091270 10.74105435 3.54401592
-0.00075656 -0.00097709 0.00035001
-0.00016230 0.02074774 -0.00713311
6.35488525 12.02043641 3.16202880
-0.00027024 -0.00061507 -0.00081157
0.02719094 -0.00539555 0.00293451
25.14725736 -12.77439807 -8.32292251
-0.00008482 0.00098176 0.00023032
0.00776540 -0.00664883 -0.00015156
26.40528550 -11.52538179 -10.99242871
0.00126113 -0.00022701 -0.00075911
-0.00006563 -0.00602446 0.00875436
14.73851862 -3.92302759 -0.67282104
-0.00036229 0.00065997 0.00095781
-0.00986021 -0.00099029 0.00387875
17.22350757 -5.52758920 -0.73206673
0.00028863 -0.00047988 0.00033484
-0.01506988 0.02180557 0.00315315
12.41430368 8.01638066 11.72522053
0.00031489 0.00036467 0.00047404
-0.02017667 -0.00189656 0.04087176
13.41578831 9.70580759 9.59674079
0.00041647 0.00037160 0.00111907
-0.00598286 -0.00539553 -0.00342668
-0.17608844 -14.38309545 17.20237870
0.00045373 -0.00060774 0.00014341
0.00941593 -0.01100220 -0.00165849
1.41369748 -12.30037331 18.25130638
-0.00007034 0.00016945 0.00024080
0.00882333 0.01987687 0.01008157
-3.78880810 -2.42135984 -13.56772099
0.00003916 -0.00030500 0.00040632
-0.01301863 0.02988146 -0.00286990
-3.33626377 -0.80405967 -15.84829985
-0.00002710 -0.00089552 -0.00057088
0.02464504 -0.00036716 -0.04366401
14.19691189 -8.19425730 -10.41530784
0.00070948 -0.00021511 -0.00095242
-0.00495656 -0.00557370 -0.02686714
16.45502954 -6.39244022 -9.47970745
0.00030471 0.00038552 -0.00070028
-0.02662845 -0.01499196 0.01443449
7.06537785 -5.71494670 9.01482218
-0.00052792 -0.00079216 -0.00052683
0.01013631 -0.02086577 -0.00221222
9.40439453 -6.11015797 7.31502698
0.00066196 -0.00103414 0.00007799
-0.00974505 -0.01531149 0.02582166
-21.58215602 1.95454755 20.91864168
-0.00053607 0.00048433 0.00088564
0.00537661 0.00180393 0.01185158
-21.94351466 0.89081524 23.69623278
-0.00064447 0.00078386 0.00133723
-0.00278008 0.00089217 -0.00569036
26.67101476 -3.01817763 -6.43861485
0.00022596 0.00011870 -0.00049790
-0.00684718 0.00243703 -0.00429276
25.17080531 -1.56405014 -8.43485732
0.00032939 -0.00025811 -0.00028924
-0.00223656 0.01173949 -0.00092038
9.25359355 -15.83804162 -7.65802921
0.00072658 0.00041534 -0.00007014
0.00908850 0.02801321 -0.00187632
8.98742888 -12.83731899 -6.97203053
0.00066312 -0.00032681 0.00041063
-0.00485499 -0.00104793 0.00463660
-5.88013938 -11.10133876 18.08212891
-0.00035787 -0.00014985 0.00036782
-0.00971829 -0.02558216 -0.01574571
-7.30726498 -11.35422811 15.57690378
0.00041938 -0.00025721 -0.00001400
0.00409273 -0.00444516 0.00075353
8.50615658 1.51503495 -29.34306485
-0.00020585 -0.00041143 0.00031589
0.00333204 0.02846440 -0.00171774
6.47958124 3.31103568 -30.18514105
-0.00051706 0.00062122 0.00114177
-0.01631143 -0.00002468 -0.01007523
12.53340207 15.41715475 14.48312654
0.00073818 0.00067565 0.00044048
0.00723404 -0.00890400 0.00560395
11.06511613 15.86621901 17.13814606
0.00035170 0.00008315 0.00107782
0.00451937 -0.00184047 -0.01613069
29.41834667 4.82603063 -4.35428940
-0.00042298 -0.00001505 -0.00005266
-0.01161717 0.00641212 -0.00311989
26.93923213 6.44298220 -3.79469105
0.00029559 -0.00034753 -0.00046194
-0.01875286 0.00303334 -0.00853755
-9.94292407 4.85028731 6.75626654
0.00001502 -0.00003280 -0.00024316
-0.00263660 0.01024122 -0.00082099
-8.70762222 13.30189036 2.59629119
-0.00006974 0.00006882 0.00000187
-0.00386317 0.00084150 -0.00176122
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09464400
0.30057563
400.50195142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.685 s
total exchange = -52.3741615363 (a.u.)
total exchange computation time: 2.5315270424 s
-154.1235680613
-931.39091129
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3738745484 (a.u.)
total exchange computation time: 2.5324180126 s
-154.1269799901
Anderson extrapolation: theta=1.3540836098 (1.3540836098)
-931.39112499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.683 s
total exchange = -52.3733868583 (a.u.)
total exchange computation time: 2.5327000618 s
-154.1325207957
Anderson extrapolation: theta=0.0552698752 (0.0552698752)
-931.39125423
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3732801868 (a.u.)
total exchange computation time: 2.5308890343 s
-154.1335934038
Anderson extrapolation: theta=1.9891638574 (1.9891638574)
-931.39125946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.681 s
total exchange = -52.3730427867 (a.u.)
total exchange computation time: 2.5319979191 s
-154.1359096017
Anderson extrapolation: theta=0.2292755178 (0.2292755178)
-931.39126514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3729810747 (a.u.)
total exchange computation time: 2.5310571194 s
-154.1364627289
Anderson extrapolation: theta=1.7908280694 (1.7908280694)
-931.39126624
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.682 s
total exchange = -52.3728890005 (a.u.)
total exchange computation time: 2.5326039791 s
-154.1372516151
Anderson extrapolation: theta=0.2712557103 (0.2712557103)
-931.39126751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.681 s
total exchange = -52.3728827541 (a.u.)
total exchange computation time: 2.5327279568 s
-154.1372719077
Anderson extrapolation: theta=1.2752282323 (1.2752282323)
-931.39126781
-71.400284 67.106507 142.391340
559.544073 1031.368882 -411.724578
488.143789 1098.475388 -269.333238
1231.857512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 3.683 s
total exchange = -52.3728884564 (a.u.)
total exchange computation time: 2.5340030193 s
678.97051269
-1083.72006009
89.81788405
-389.21490925
-174.87180700
78.27892663
551.60419304
0.00000000
-931.39126805
3.95875975 -30.83638261 -2.27712716
0.00014576 -0.00038138 0.00000822
-0.00301557 -0.01190344 0.00412138
-11.55207513 -1.84893297 -9.23147528
0.00020360 0.00039805 -0.00010283
-0.01716173 -0.00253029 -0.00872264
-37.47189851 2.45754055 0.10890204
-0.00008932 -0.00007958 0.00024940
-0.01854054 0.02447634 -0.01865537
-11.71483087 -4.10431966 3.85591693
-0.00015997 -0.00019869 0.00011900
0.04885709 -0.01155302 -0.00128022
4.29884019 -3.94616165 9.25689490
-0.00034253 -0.00021355 -0.00029280
0.01695470 0.01702045 -0.01006636
-32.07104260 -0.50055244 -0.43300389
-0.00044851 0.00034817 0.00026149
0.00111204 -0.02886203 -0.01519274
14.54952639 12.60355236 -13.85566184
-0.00046969 -0.00008361 0.00020460
0.05650168 -0.02636656 0.07586195
-7.70647783 6.04244239 2.56440162
-0.00004890 0.00008831 0.00007913
0.00154901 -0.03475425 -0.01922440
7.57462198 12.55905624 -5.81542311
0.00001265 -0.00013338 -0.00032841
-0.00585338 -0.00414309 -0.00436241
8.85107052 9.87879148 -18.96115189
-0.00008562 0.00010541 0.00013501
0.00865774 0.00337995 -0.03365056
23.35135824 17.30473774 -2.18419814
-0.00018540 0.00002008 -0.00010333
-0.02475292 0.04650304 0.00952931
2.21381035 16.87023586 -19.57387830
-0.00022207 -0.00015585 -0.00029468
0.02012092 -0.01437993 0.05341546
14.01813421 -1.20728932 -5.59833004
0.00007436 0.00024312 -0.00039057
-0.00005802 -0.00026426 0.02042965
-16.06329468 -1.44672124 3.19521217
0.00011557 0.00024278 0.00008437
-0.01074683 -0.02787869 0.00261257
-16.71794585 -1.92008459 19.03506841
0.00047036 -0.00018709 -0.00046261
0.01317193 -0.01127583 0.00937568
0.39978196 2.02101550 -4.95161731
-0.00000261 0.00009918 0.00017685
-0.00180380 0.01890249 0.00202264
22.58592306 -7.14257490 -8.86674487
0.00016429 0.00011648 0.00011388
0.03206785 -0.01894371 -0.00813841
-0.65617173 -6.37760852 7.23848742
-0.00013322 0.00019643 -0.00004172
-0.00014429 0.00028929 0.00994946
-1.75702991 -1.40295849 -19.33654953
0.00012312 -0.00006550 -0.00002253
-0.02874987 0.02110984 -0.01388563
3.22693439 2.00297103 -9.30066978
-0.00007180 -0.00035107 0.00009622
0.02684228 -0.01733406 -0.00724123
-3.85428551 17.83800624 12.30660196
-0.00019617 -0.00013647 0.00007512
0.02940828 0.00378816 0.00129769
-3.86044789 4.97753566 -11.07614495
-0.00001528 0.00001408 -0.00006881
0.02739997 0.00384508 0.04857143
-7.98297441 2.97771703 -8.98882562
0.00020188 -0.00025402 -0.00004366
-0.02947296 -0.01460632 0.02607101
2.25064072 27.42543972 8.60840972
0.00022174 0.00012867 0.00021379
0.01439672 0.00474388 -0.02538086
9.80793305 -6.21102574 -1.85847849
-0.00028442 -0.00011294 0.00014914
-0.01013818 0.02231627 -0.01760901
-8.74498978 0.76567610 6.00878612
0.00015678 0.00017965 0.00003824
-0.01914101 0.01020349 -0.01619986
20.34883575 10.81049309 8.87784608
-0.00005804 0.00009972 -0.00008944
0.00350421 -0.04237922 0.00955579
-2.28262449 -2.11643293 -27.27016718
0.00037355 0.00006696 -0.00023760
-0.03324096 -0.03651683 0.01515014
-14.32940448 6.16551640 7.69518111
-0.00003908 0.00011821 0.00027223
0.00300543 -0.00946602 -0.00339231
-9.58455709 7.28830729 -2.51402509
0.00014981 0.00005750 0.00018065
-0.02678032 0.00060186 -0.00872939
-1.79066749 -15.54291444 23.61534236
-0.00022905 0.00025271 -0.00035668
0.06288370 0.00995453 -0.01129865
-2.65700105 6.30564187 -6.28423455
-0.00016282 0.00007038 0.00005952
-0.01739497 0.01946429 0.00210918
-20.05993406 31.00119749 4.28310899
0.00004637 -0.00035659 -0.00028832
-0.01453950 -0.03980925 -0.01724455
7.60180295 0.14164849 7.83634345
0.00003002 0.00038654 -0.00046558
0.01453351 0.01200888 0.03619797
5.68815002 11.52356269 -13.67420356
0.00034993 0.00019607 0.00047398
-0.02483486 -0.02350174 -0.00638381
15.54836927 2.84930187 -1.92016469
-0.00012544 -0.00017689 0.00016592
0.01073341 -0.00664770 0.00726246
-4.34790867 13.48095368 -0.92838601
-0.00017821 -0.00029280 0.00024188
0.01438025 -0.01465631 0.01852989
4.61449067 12.42106610 3.10308096
0.00024220 0.00002467 -0.00040908
-0.03159297 0.00605661 -0.00533071
24.99696320 -11.66258914 -9.75702907
0.00011012 0.00016497 -0.00022323
-0.00466767 0.01261743 -0.01294237
16.52266098 -3.75959462 -0.51820559
0.00026849 0.00024124 -0.00023942
0.02772019 -0.01904463 -0.00593602
12.99142637 7.95945819 10.06464694
0.00019058 0.00001349 0.00008721
0.02528150 0.00362030 -0.04091687
1.59697016 -13.97864123 17.65590837
-0.00009881 -0.00019573 -0.00008111
-0.00420567 -0.00307615 -0.00851009
-4.16897537 -0.70887867 -14.30396569
0.00041234 0.00001711 0.00033441
-0.00233668 -0.02711919 0.03808881
15.10428040 -7.75757825 -8.93680156
-0.00003290 0.00043764 0.00031178
0.01865051 0.01756494 0.00696021
8.50842618 -6.94469032 8.78088311
-0.00035555 -0.00023883 0.00026273
0.01233917 0.04140598 -0.03093792
-21.23362905 2.30030454 22.72452546
0.00017047 -0.00007475 -0.00006467
-0.00142346 0.00041924 -0.00169848
25.71314872 -3.24906305 -8.00453578
-0.00014185 -0.00003666 -0.00024026
0.01567144 -0.00611875 0.00841299
9.84089878 -14.06591813 -8.01677204
0.00005291 0.00016671 -0.00045803
0.00146539 -0.02167049 -0.00493151
-6.64144367 -12.43275315 16.92826773
-0.00032310 -0.00018599 0.00015588
0.02464214 0.04589182 0.00581376
8.08954760 3.35496491 -29.36322386
-0.00040467 -0.00039662 0.00001226
0.01331932 -0.03739834 0.00590265
10.85078517 15.38288504 15.34217507
-0.00002311 -0.00010787 -0.00001582
0.01456363 0.03192598 0.00985277
28.62065222 6.09277953 -3.25928542
0.00017325 0.00019112 -0.00027051
0.02520782 0.00046859 0.01459992
5.46337580 -31.23048900 -3.21315315
-0.00017742 -0.00030968 -0.00015682
0.00657025 -0.00589689 -0.01327647
4.19699623 -31.58540036 -0.63231887
0.00081784 0.00051376 0.00048404
0.00056834 0.00001507 0.01110646
-11.64894942 -3.62676064 -8.66979627
-0.00010326 0.00004429 0.00014963
-0.00508312 0.01325527 -0.00868153
-12.64428135 -1.57962953 -10.71840599
0.00009101 0.00114114 -0.00034548
0.01290804 -0.00779420 0.01550379
-39.06899913 2.01137419 0.91916133
0.00043842 -0.00004060 -0.00018825
0.00902328 0.00313706 -0.00019794
-37.92099878 4.03660975 -0.95447995
-0.00025386 -0.00036990 0.00005740
0.01007150 -0.02872630 0.01869491
-10.48245194 -5.62038084 3.60785858
0.00034456 0.00020340 -0.00020288
-0.02845611 0.02218328 0.00159073
-10.51521900 -2.68898948 3.61365684
-0.00016874 0.00022885 -0.00002815
-0.01413075 -0.01250044 0.00401799
5.03407601 -2.48458164 8.33213863
-0.00042229 0.00088775 -0.00048681
-0.01042547 -0.01289886 0.01305576
4.73258637 -3.59218154 11.02533715
-0.00057898 0.00009981 0.00002379
-0.00975959 -0.00090874 -0.00236740
-33.38689181 -1.73606563 -0.68889287
-0.00022772 0.00018055 0.00043287
-0.00593462 0.00316262 0.00713767
-32.62501057 0.64928975 0.81471588
-0.00020708 0.00109410 0.00106971
-0.01199649 0.01539746 0.01037112
14.56777179 12.61562745 -15.58216810
-0.00053309 -0.00017276 0.00100905
-0.00985290 0.00548669 -0.06947961
16.34309267 11.93437321 -13.48605187
-0.00007369 0.00038893 -0.00008319
-0.03970903 0.02036056 -0.00478800
-8.77390008 7.20286319 1.58871744
0.00023855 0.00006411 0.00054886
0.01103614 -0.01144535 -0.00097658
-7.40757046 4.50652723 1.37496732
-0.00002895 0.00077296 0.00022574
-0.00919225 0.04366851 0.01848173
6.14816472 12.31221019 -6.90901297
-0.00051521 -0.00005867 -0.00049253
-0.00564761 -0.00044656 -0.00264710
8.82878191 13.69069997 -6.79522600
-0.00040902 -0.00037612 0.00054863
-0.00499582 -0.01043246 0.01182026
8.46300562 8.84960865 -20.47433773
0.00009184 0.00000407 -0.00009730
0.00598410 0.00996878 0.01730847
10.01733498 11.22380416 -19.62529762
-0.00056687 -0.00000160 -0.00081541
-0.00396913 -0.02129428 0.01334503
23.69373307 15.61970271 -2.56328981
-0.00003828 -0.00008567 -0.00007136
0.01833720 -0.03406226 -0.01296245
24.97477397 18.20122073 -2.26240898
-0.00013137 0.00014811 0.00029497
-0.00848223 -0.00007325 -0.00586434
1.49402865 16.77561359 -21.21941595
0.00091813 0.00037658 0.00011835
-0.00393077 -0.00317935 -0.02584487
3.14436149 15.24112123 -19.10409353
0.00095218 0.00078534 -0.00048915
-0.01217194 0.02046584 -0.01754373
12.67001575 -0.56143828 -6.65058522
-0.00081162 -0.00030836 0.00061839
-0.00410789 -0.01176930 -0.00755421
13.35147328 -1.20205872 -3.87257693
-0.00028023 0.00068991 -0.00015644
0.00273321 0.00258862 -0.01419747
-17.41526600 -2.69799873 2.77384656
-0.00123973 0.00085634 -0.00135125
0.01084837 0.01338152 0.00896495
-14.61403780 -2.54422884 3.59287267
0.00026884 0.00048676 -0.00037341
-0.00545635 0.00109522 -0.01071541
-16.33120219 -0.48333204 20.15850215
-0.00096369 -0.00019125 0.00060749
-0.00003548 -0.00014942 -0.00411061
-15.46353003 -3.20058719 19.48651366
0.00074030 -0.00085465 0.00052683
-0.00547035 0.01028288 0.00064418
-0.74403048 0.56727944 -5.07686985
0.00052879 -0.00111379 0.00047256
0.00031520 -0.00580670 0.00097703
-0.72096605 3.48808966 -5.00186267
0.00067419 -0.00016816 0.00007339
0.00082368 -0.00542910 0.00204409
23.54346340 -8.78936694 -9.18171269
0.00051845 0.00043734 0.00036014
-0.02237791 0.02224581 0.00310509
23.99159275 -5.90317700 -8.75070124
0.00059209 -0.00076440 -0.00018209
-0.01811706 -0.00363416 0.00525647
0.31646280 -5.99830338 5.72968299
-0.00060254 -0.00071785 -0.00015686
0.00306807 0.00219292 0.00197462
0.20188181 -5.55455014 8.65805998
0.00065717 -0.00146718 0.00040417
0.00040447 -0.00648701 -0.01311086
-0.76787722 -2.82188732 -18.86311859
0.00017022 0.00094726 -0.00077672
0.00581321 -0.01905335 -0.00453835
-3.05996277 -1.82989654 -20.64612174
0.00007629 0.00036091 0.00001674
0.01877856 -0.00635227 0.01986800
2.61052388 2.33770695 -10.96800976
-0.00041612 0.00089306 -0.00033812
-0.00224261 0.01040064 -0.00619016
2.19029425 2.73061574 -8.03257002
0.00050400 -0.00066409 0.00012621
-0.02110935 0.00246026 0.01627069
-2.35654873 16.65223599 12.41249997
0.00106899 -0.00034482 -0.00006515
-0.00977752 0.01555100 0.00422979
-3.45573694 19.22712004 13.52079072
0.00001973 -0.00109881 0.00044637
-0.00588361 -0.02320976 -0.00902892
-4.80324709 6.26058522 -11.77477438
-0.00086419 0.00022274 0.00172815
-0.03206899 0.04236340 -0.01802363
-3.57121778 3.86950855 -12.37085121
-0.00098154 -0.00016471 0.00039236
0.01201376 -0.04474962 -0.04218517
-7.83291959 2.09711028 -7.35467093
0.00058205 -0.00012281 0.00023905
0.00456199 0.00996132 -0.01993129
-6.32543934 3.46749930 -9.41772436
-0.00079931 -0.00075667 0.00049326
0.02235894 0.00635020 -0.00407572
2.62615521 28.30639826 6.97380997
0.00093458 -0.00013686 -0.00001164
-0.01137982 -0.01546967 0.02725697
0.70411705 28.08505105 9.24861078
0.00093828 0.00063941 0.00006956
-0.00929988 0.00668722 -0.00140328
10.61661513 -7.42616551 -0.83844942
-0.00003969 -0.00002594 -0.00022177
0.01713589 -0.01573392 0.02240036
8.67397908 -7.18825990 -2.88665502
-0.00024165 0.00043999 -0.00019693
-0.00839841 -0.00632684 -0.00201444
-6.96932009 0.59534357 6.29603465
-0.00038271 0.00029603 0.00031189
0.01325166 -0.01316062 0.01085911
-9.55257271 -0.60030484 6.87443032
-0.00085082 -0.00006169 0.00076537
0.00052350 -0.00343112 0.00837933
21.77382604 10.09954100 9.82731297
0.00018302 0.00033319 0.00025153
-0.01192187 0.00859764 0.00265402
21.00492844 12.33873613 8.25135089
-0.00000822 0.00021115 0.00022487
0.00773749 0.03902398 -0.01148894
-1.52836217 -3.71013107 -26.49540499
0.00060067 -0.00038633 0.00006433
-0.00611120 0.03615371 -0.01113588
-4.13290937 -2.18185511 -26.79510873
0.00083037 0.00012557 -0.00024138
0.03547330 0.00305869 -0.00639940
-13.97568331 7.17792987 9.18133398
0.00059625 -0.00019034 0.00031219
-0.00541079 0.00340279 -0.00764263
-15.44269511 7.12161503 6.58838853
-0.00036695 -0.00028406 0.00056165
0.01178530 0.00126472 0.01241245
-11.27075393 7.33651884 -3.29441659
-0.00032970 0.00077493 0.00115723
0.01401908 -0.00253516 0.01101669
-8.58044643 8.32371095 -3.71750028
0.00101570 0.00004495 0.00017995
-0.00319469 -0.00695807 0.00930017
-1.19409652 -17.26287860 23.34365276
0.00073708 0.00081539 -0.00055238
0.01171922 -0.00488896 -0.00561078
-3.43012953 -15.73818106 24.09369081
0.00068837 0.00071217 -0.00098639
-0.06741597 -0.00001959 0.01907459
-2.35098439 6.05373255 -8.07260158
0.00074193 0.00070874 0.00071633
-0.00683683 -0.00109575 0.00070056
-4.15530568 7.47646125 -6.17510521
-0.00034840 -0.00134291 0.00051053
0.01779459 -0.01701780 0.00124738
-21.30418370 30.26296666 3.06864902
-0.00063378 -0.00148232 -0.00021239
0.00664479 -0.00253886 -0.00389743
-21.21876623 31.46650025 5.54476233
-0.00002097 -0.00109311 0.00083624
-0.01809460 0.01575105 0.02781899
7.12342589 -0.19442874 6.14978680
0.00003949 -0.00095819 -0.00010057
-0.01236824 -0.00051009 -0.03194975
7.64961470 1.97074215 8.02427542
0.00035530 0.00003879 0.00032355
-0.00601984 -0.00443074 -0.00141759
7.04884532 12.69071596 -14.13119349
0.00010005 -0.00026132 -0.00019029
0.00296463 0.01045624 0.00885600
4.34243827 11.82061434 -14.89488053
-0.00087287 -0.00004174 -0.00085064
0.01339210 0.00223811 0.00633603
14.48823632 3.73684083 -3.11701565
-0.00018148 -0.00017194 0.00017686
-0.00163219 -0.00000991 0.00681091
15.06950922 1.06424176 -1.91430806
-0.00050783 -0.00090147 -0.00016026
0.00244261 0.02091597 -0.00192260
-2.61308080 13.25485581 -0.34965022
0.00001185 -0.00048739 -0.00007715
-0.00530347 0.00123313 -0.01025864
-5.27680529 12.84999754 0.58291977
-0.00045489 0.00010009 0.00047201
-0.00586651 0.00861402 -0.01501509
3.77955932 10.72703372 3.54904746
-0.00075241 -0.00088169 0.00031723
0.00219220 0.02595327 -0.00891409
6.35166493 12.01104496 3.14994520
-0.00015381 -0.00063839 -0.00079906
0.02979851 -0.00601961 0.00318902
25.14622302 -12.75987549 -8.31947234
-0.00005293 0.00095251 0.00023175
0.00784624 -0.00766699 0.00085047
26.42420051 -11.52897154 -11.00354703
0.00125087 -0.00025123 -0.00071530
-0.00496045 -0.00583257 0.01268888
14.73278213 -3.91315845 -0.65833501
-0.00039356 0.00065591 0.00097433
-0.00544504 -0.00099350 0.00420784
17.22737517 -5.53411915 -0.72694750
0.00022403 -0.00038562 0.00034774
-0.01655234 0.02433295 0.00316122
12.41840882 8.02179267 11.73358358
0.00023461 0.00035527 0.00063376
-0.01912113 -0.00270874 0.03731258
13.42185207 9.71121629 9.61342191
0.00039177 0.00034737 0.00110339
-0.00611135 -0.00646597 -0.00425341
-0.16899402 -14.39254865 17.20447902
0.00048611 -0.00065244 0.00013569
0.00643574 -0.01087800 -0.00211922
1.41291279 -12.29722241 18.25522736
-0.00003429 0.00024202 0.00027890
0.00882410 0.01564728 0.00856911
-3.78861958 -2.42501913 -13.56171418
-0.00001391 -0.00018071 0.00039391
-0.01296059 0.03095642 -0.00320504
-3.33591512 -0.81750379 -15.85820109
0.00006637 -0.00089656 -0.00073678
0.02110969 -0.00013884 -0.03754538
14.20740224 -8.19765475 -10.43041743
0.00069548 -0.00023466 -0.00104830
-0.00189685 -0.00399676 -0.02006534
16.45878420 -6.38711675 -9.48976935
0.00019537 0.00032365 -0.00063826
-0.02689451 -0.01529684 0.01592351
7.05776968 -5.72746852 9.00685200
-0.00048844 -0.00087352 -0.00053574
0.00918924 -0.01896170 -0.00215343
9.41402528 -6.12613921 7.31698809
0.00061911 -0.00109635 0.00018623
-0.01122853 -0.01513999 0.02716156
-21.59003237 1.96186771 20.93228938
-0.00051656 0.00048800 0.00092285
0.00417693 -0.00000302 0.00636654
-21.95326685 0.90260049 23.71611685
-0.00065396 0.00079072 0.00130929
-0.00186567 0.00246418 -0.00798449
26.67419427 -3.01632239 -6.44621490
0.00019829 0.00012816 -0.00051508
-0.00669541 0.00218985 -0.00411585
25.17567768 -1.56756210 -8.43922420
0.00031826 -0.00020547 -0.00029465
-0.00321469 0.01402786 -0.00172650
9.26477069 -15.83095310 -7.65913875
0.00076210 0.00052499 -0.00007713
0.00829952 0.02566239 -0.00154612
8.99722692 -12.84225318 -6.96572902
0.00064267 -0.00032942 0.00043026
-0.00515476 -0.00023208 0.00497179
-5.88580518 -11.10437049 18.08716379
-0.00039778 -0.00025496 0.00030285
-0.00982029 -0.02586630 -0.01605902
-7.30084880 -11.35822247 15.57671680
0.00043447 -0.00027376 -0.00001283
0.00329345 -0.00365663 -0.00017795
8.50317088 1.50973577 -29.33837916
-0.00019428 -0.00029463 0.00030771
0.00233157 0.02870877 -0.00228385
6.47132553 3.32035315 -30.16832325
-0.00058817 0.00061900 0.00109759
-0.01849995 -0.00106106 -0.01154869
12.54469641 15.42701669 14.48990549
0.00076292 0.00063805 0.00046378
0.00487650 -0.00950449 0.00579948
11.07053013 15.86740984 17.15381908
0.00036753 0.00007212 0.00099850
0.00322903 -0.00355656 -0.02269763
29.41164595 4.82600136 -4.35517498
-0.00046720 0.00000859 -0.00006702
-0.01002590 0.00516095 -0.00390822
26.94309133 6.43786217 -3.80188175
0.00021667 -0.00033393 -0.00049659
-0.01988003 0.00362489 -0.00842387
-9.94270588 4.84982274 6.75261686
0.00001408 -0.00002910 -0.00024345
-0.00261619 0.01045260 -0.00074620
-8.70867504 13.30292409 2.59631611
-0.00007063 0.00006902 0.00000146
-0.00380164 0.00088679 -0.00177510
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09458810
0.29667995
395.31116237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.953 s
total exchange = -52.3684829562 (a.u.)
total exchange computation time: 2.6332011223 s
-154.1035057360
-931.38738445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.955 s
total exchange = -52.3682379964 (a.u.)
total exchange computation time: 2.6322689056 s
-154.1067078672
Anderson extrapolation: theta=1.3510496251 (1.3510496251)
-931.38761421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.956 s
total exchange = -52.3678319808 (a.u.)
total exchange computation time: 2.6327080727 s
-154.1118135532
Anderson extrapolation: theta=0.0547240371 (0.0547240371)
-931.38775243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.950 s
total exchange = -52.3677491622 (a.u.)
total exchange computation time: 2.6318099499 s
-154.1127497814
Anderson extrapolation: theta=1.9707970135 (1.9707970135)
-931.38775791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.954 s
total exchange = -52.3675689609 (a.u.)
total exchange computation time: 2.6345629692 s
-154.1147278247
Anderson extrapolation: theta=0.2325201235 (0.2325201235)
-931.38776371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.953 s
total exchange = -52.3675249563 (a.u.)
total exchange computation time: 2.6315560341 s
-154.1151768796
Anderson extrapolation: theta=1.8466002883 (1.8466002883)
-931.38776483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.948 s
total exchange = -52.3674626833 (a.u.)
total exchange computation time: 2.6342170238 s
-154.1157952378
Anderson extrapolation: theta=0.2874998696 (0.2874998696)
-931.38776613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.955 s
total exchange = -52.3674631718 (a.u.)
total exchange computation time: 2.6330139637 s
-154.1157751693
Anderson extrapolation: theta=1.2941719267 (1.2941719267)
-931.38776643
-71.412193 67.036359 142.412731
559.563093 1031.360046 -411.659372
488.150900 1098.396405 -269.246641
1231.770968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.952 s
total exchange = -52.3674761180 (a.u.)
total exchange computation time: 2.6591370106 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.954 s
total exchange = -52.3674761180 (a.u.)
total exchange computation time: 2.6590170860 s
[qbox] save md115.xml
SampleWriter: write time: 1.433 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1061.48 MB/s
[qbox] run 10 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 3.926 s
total exchange = -52.3674761180 (a.u.)
total exchange computation time: 2.6526160240 s
678.90401671
-1083.55910263
89.81650738
-389.32322370
-174.85848829
78.18992224
551.60419304
0.00000000
-931.38776665
3.96093457 -30.84214921 -2.27698797
0.00014392 -0.00038744 0.00001075
-0.00416280 -0.01166293 0.00571747
-11.54908737 -1.84297198 -9.23305137
0.00019450 0.00039635 -0.00010747
-0.01822667 -0.00409442 -0.00931814
-37.47330986 2.45644125 0.11257105
-0.00009784 -0.00006674 0.00023924
-0.01459359 0.02545760 -0.02084162
-11.71704202 -4.10734453 3.85769705
-0.00013449 -0.00020412 0.00011822
0.05024876 -0.00959072 -0.00177050
4.29376767 -3.94929919 9.25246400
-0.00033327 -0.00020360 -0.00029818
0.01905748 0.02164145 -0.01083348
-32.07776598 -0.49544115 -0.42914007
-0.00044835 0.00033488 0.00025521
-0.00050271 -0.02285436 -0.00926533
14.54269905 12.60219655 -13.85230023
-0.00044042 -0.00009708 0.00024538
0.05728494 -0.02603052 0.08270432
-7.70720543 6.04363294 2.56551445
-0.00004778 0.00007062 0.00007010
0.00282287 -0.03404114 -0.01588927
7.57478919 12.55703956 -5.82036608
0.00000818 -0.00013621 -0.00033064
-0.01153592 -0.00685513 -0.00431500
8.84981957 9.88038573 -18.95925651
-0.00008118 0.00010691 0.00011726
0.00860354 0.00242071 -0.03538965
23.34848180 17.30521826 -2.18571140
-0.00019787 0.00004356 -0.00009856
-0.02376305 0.04483709 0.00901726
2.21055694 16.86784265 -19.57809251
-0.00021118 -0.00016260 -0.00026578
0.02221910 -0.01187042 0.05898714
14.01924935 -1.20364353 -5.60410977
0.00007399 0.00024303 -0.00037926
-0.00137156 -0.00009429 0.02352809
-16.06160255 -1.44318710 3.19648783
0.00010885 0.00022817 0.00008525
-0.01537628 -0.02894392 0.00081262
-16.71083961 -1.92293438 19.02816546
0.00047804 -0.00019351 -0.00045698
0.01670554 -0.01368894 0.01249740
0.39973592 2.02257606 -4.94895675
-0.00000310 0.00010721 0.00017790
-0.00010294 0.01235575 0.00205950
22.58851107 -7.14090078 -8.86506807
0.00018057 0.00010661 0.00010970
0.03126224 -0.01943658 -0.00811668
-0.65817066 -6.37466096 7.23789993
-0.00013383 0.00019618 -0.00003610
-0.00219090 -0.00127577 0.01190551
-1.75529397 -1.40385955 -19.33694103
0.00010729 -0.00005283 -0.00002999
-0.03281218 0.02816102 -0.01510938
3.22596099 1.99763813 -9.29925444
-0.00005809 -0.00035998 0.00009039
0.02645994 -0.01733068 -0.01541703
-3.85711463 17.83597374 12.30773370
-0.00017982 -0.00013593 0.00007541
0.03418745 -0.00166644 -0.00013925
-3.86057144 4.97776172 -11.07698978
-0.00000104 0.00001661 -0.00004317
0.02799191 0.00597558 0.05112987
-7.98005997 2.97385046 -8.98937998
0.00018445 -0.00026235 -0.00002928
-0.03829444 -0.01781864 0.02986191
2.25402231 27.42738814 8.61151861
0.00023011 0.00013079 0.00020016
0.01817426 0.00347504 -0.02761255
9.80362758 -6.21263382 -1.85630929
-0.00028960 -0.00010108 0.00014009
-0.00999568 0.02380247 -0.01757623
-8.74271187 0.76841018 6.00929726
0.00014501 0.00018348 0.00003069
-0.02664847 0.00471113 -0.01318330
20.34797866 10.81182548 8.87654141
-0.00005577 0.00007798 -0.00008439
0.00533528 -0.04216632 0.01004426
-2.27714943 -2.11556933 -27.27367277
0.00035749 0.00004763 -0.00022974
-0.02921752 -0.03867292 0.01541405
-14.32997904 6.16725310 7.69925147
-0.00003724 0.00011300 0.00027066
0.00415132 -0.01082975 -0.00272559
-9.58241327 7.28917207 -2.51134904
0.00013637 0.00005803 0.00017611
-0.02549105 0.00147403 -0.00892495
-1.79386072 -15.53908533 23.60994864
-0.00019387 0.00025847 -0.00036320
0.07394869 0.01243207 -0.01407419
-2.65951046 6.30677269 -6.28333362
-0.00017110 0.00007979 0.00006171
-0.01479591 0.01710188 0.00641019
-20.05929463 30.99569504 4.27871774
0.00003727 -0.00037707 -0.00029667
-0.02082307 -0.03981848 -0.01525878
7.60230925 0.14749296 7.82949936
0.00003760 0.00039198 -0.00044661
0.01496745 0.00911762 0.03758134
5.69330320 11.52641312 -13.66711854
0.00033442 0.00018391 0.00046881
-0.03547335 -0.02379877 -0.01372586
15.54652912 2.84662292 -1.91764792
-0.00012028 -0.00018156 0.00016958
0.00930228 -0.01152579 0.00696520
-4.35052638 13.47650516 -0.92468627
-0.00017082 -0.00030033 0.00025154
0.01437659 -0.01463316 0.01900414
4.61800187 12.42145956 3.09692420
0.00022490 0.00002676 -0.00041143
-0.03569541 0.00207097 -0.00381752
24.99859699 -11.66006589 -9.76042741
0.00010885 0.00017165 -0.00023099
-0.00027443 0.01335270 -0.01723233
16.52679520 -3.75604941 -0.52181973
0.00028184 0.00023094 -0.00024252
0.02422370 -0.02103811 -0.00611715
12.99438261 7.95967452 10.06579731
0.00020317 0.00001571 0.00006768
0.02367556 0.00500030 -0.03504079
1.59547178 -13.98158898 17.65465896
-0.00010017 -0.00019607 -0.00008488
-0.00109563 0.00172144 -0.00614848
-4.16279932 -0.70872663 -14.29880257
0.00041210 0.00000301 0.00035206
0.00143012 -0.02769336 0.03055364
15.10385879 -7.75094583 -8.93209807
-0.00002416 0.00044626 0.00031330
0.01536226 0.01594831 -0.00102124
8.50314051 -6.94811312 8.78470475
-0.00034851 -0.00021809 0.00024661
0.01504689 0.03927111 -0.03174772
-21.23107757 2.29918492 22.72354890
0.00016988 -0.00007452 -0.00006345
-0.00084566 0.00047367 0.00642222
25.71108137 -3.24963652 -8.00810721
-0.00013364 -0.00004022 -0.00023582
0.01627400 -0.00772479 0.00886641
9.84169813 -14.06350099 -8.02366152
0.00005389 0.00015614 -0.00046070
0.00233319 -0.01944228 -0.00546602
-6.64619519 -12.43536598 16.93062836
-0.00031025 -0.00016261 0.00015910
0.02533392 0.04502070 0.00669709
8.08352890 3.34887135 -29.36301712
-0.00039718 -0.00041542 0.00001567
0.01583335 -0.03571246 0.00732763
10.85049464 15.38139007 15.34197574
-0.00001468 -0.00009089 -0.00000940
0.01824651 0.03410530 0.01511814
28.62334814 6.09564808 -3.26328679
0.00018591 0.00019158 -0.00026283
0.02403577 0.00134851 0.01526094
5.46091580 -31.23531485 -3.21591223
-0.00014830 -0.00033433 -0.00021219
0.00768733 -0.00616943 -0.01382836
4.20928129 -31.57769346 -0.62471789
0.00081962 0.00051448 0.00052750
0.00030373 0.00033636 0.01016722
-11.65065415 -3.62569005 -8.66781787
-0.00012420 0.00010284 0.00011191
-0.00516742 0.01540161 -0.00978421
-12.64252070 -1.56275120 -10.72311312
0.00014583 0.00110740 -0.00027845
0.01392563 -0.00872599 0.01730868
-39.06214629 2.01086125 0.91633157
0.00046679 -0.00003032 -0.00018407
0.00486142 0.00189836 0.00223991
-37.92449806 4.03018096 -0.95304610
-0.00021233 -0.00048602 0.00013326
0.01025804 -0.02811377 0.01843743
-10.47815546 -5.61665012 3.60486413
0.00022789 0.00029306 -0.00019608
-0.02865643 0.02170650 0.00173541
-10.51818318 -2.68593975 3.61335775
-0.00022883 0.00017504 -0.00001104
-0.01528079 -0.01384120 0.00435596
5.02742216 -2.47166066 8.32523662
-0.00046862 0.00082599 -0.00042789
-0.01225224 -0.01733204 0.01578222
4.72360264 -3.59071229 11.02562139
-0.00061919 0.00009515 0.00001017
-0.00992579 -0.00136935 -0.00429934
-33.39048951 -1.73326047 -0.68218114
-0.00025342 0.00019334 0.00046244
-0.00664605 0.00309857 0.00733809
-32.62848444 0.66617309 0.83107930
-0.00025104 0.00114456 0.00109922
-0.00951999 0.00930172 0.00407661
14.55947344 12.61320424 -15.56916145
-0.00057404 -0.00015013 0.00071050
-0.01018968 0.00558811 -0.07665957
16.34077052 11.94083106 -13.48744646
-0.00023638 0.00047158 -0.00010220
-0.03992847 0.02009782 -0.00451569
-8.76998371 7.20347410 1.59692037
0.00027990 0.00002153 0.00054152
0.00920645 -0.00939775 -0.00261441
-7.40828643 4.51945982 1.37891970
-0.00006553 0.00094571 0.00029777
-0.00871375 0.04089344 0.01677888
6.14026346 12.31131645 -6.91648211
-0.00053099 -0.00005913 -0.00049885
-0.00207465 0.00021986 -0.00044611
8.82249349 13.68473855 -6.78663437
-0.00042543 -0.00041494 0.00059191
-0.00303502 -0.00857113 0.00936627
8.46456658 8.84997523 -20.47526688
0.00011582 0.00004485 -0.00002443
0.00575332 0.00998911 0.01836259
10.00871030 11.22312768 -19.63711980
-0.00058206 -0.00008717 -0.00075951
-0.00346742 -0.02059213 0.01401469
23.69372080 15.61737392 -2.56475743
0.00003623 -0.00022103 -0.00012320
0.01813637 -0.03219832 -0.01241457
24.97254345 18.20344011 -2.25816414
-0.00016663 0.00014712 0.00026999
-0.00877772 -0.00041121 -0.00636373
1.50768020 16.78116485 -21.21843274
0.00089668 0.00036202 0.00000073
-0.00657132 -0.00394598 -0.03173007
3.15827126 15.25352849 -19.11196841
0.00090284 0.00086543 -0.00056000
-0.01198331 0.01873713 -0.01713826
12.65771554 -0.56642430 -6.64154092
-0.00082869 -0.00035540 0.00058426
-0.00424583 -0.01125845 -0.00914919
13.34735364 -1.19163081 -3.87535857
-0.00026595 0.00069917 -0.00021733
0.00425394 0.00194649 -0.01560898
-17.43352955 -2.68474354 2.75385254
-0.00118532 0.00091535 -0.00131035
0.01578549 0.01550203 0.01105747
-14.61017238 -2.53689389 3.58694321
0.00024585 0.00048798 -0.00041736
-0.00579591 -0.00049934 -0.01079766
-16.34565858 -0.48620541 20.16748850
-0.00096322 -0.00019614 0.00058726
0.00026266 -0.00224299 -0.00579010
-15.45259310 -3.21309178 19.49443581
0.00070997 -0.00080346 0.00052655
-0.00937988 0.01477198 -0.00078174
-0.73608903 0.55039473 -5.06975151
0.00053312 -0.00112959 0.00047675
0.00180616 -0.00192861 0.00107534
-0.71082797 3.48540095 -5.00069921
0.00067086 -0.00018510 0.00008124
-0.00245407 -0.00286640 0.00179880
23.55055438 -8.78212523 -9.17621540
0.00042643 0.00052423 0.00037166
-0.02266522 0.02028922 0.00253071
23.99991893 -5.91475436 -8.75327146
0.00051967 -0.00077426 -0.00016009
-0.01733357 -0.00119424 0.00551330
0.30751872 -6.00900399 5.72739059
-0.00058672 -0.00070706 -0.00015167
0.00467421 0.00309216 0.00056590
0.21175181 -5.57675664 8.66372078
0.00065966 -0.00149201 0.00034962
0.00081269 -0.00566528 -0.01359338
-0.76514582 -2.80826233 -18.87490849
0.00020316 0.00085585 -0.00079106
0.01031442 -0.02568942 -0.00247883
-3.05824303 -1.82467756 -20.64526182
0.00015195 0.00033407 0.00009641
0.01826017 -0.00678613 0.01913283
2.60421335 2.35142151 -10.97327122
-0.00042080 0.00093289 -0.00035184
-0.00004780 0.00909688 -0.00052847
2.19720739 2.72072976 -8.03017824
0.00041357 -0.00065117 0.00019770
-0.02315686 0.00386458 0.01872085
-2.34081346 16.64754026 12.41165235
0.00101956 -0.00027564 -0.00004880
-0.01442065 0.01831275 0.00377268
-3.45562128 19.20992665 13.52720956
-0.00000402 -0.00118786 0.00041287
-0.00574114 -0.02037772 -0.00736793
-4.81719257 6.26522445 -11.74940437
-0.00099505 0.00039347 0.00165422
-0.03199213 0.04121171 -0.01816726
-3.58557277 3.86566658 -12.36625846
-0.00093371 -0.00034947 0.00021507
0.01140103 -0.04568774 -0.04460123
-7.82404901 2.09557333 -7.35169595
0.00059885 -0.00008219 0.00015584
0.00365936 0.00992619 -0.02079796
-6.33674389 3.45634383 -9.41045039
-0.00068809 -0.00072437 0.00047050
0.03208362 0.00946236 -0.00706623
2.63982521 28.30387139 6.97447055
0.00088713 -0.00020088 0.00010174
-0.01184706 -0.01586994 0.02824342
0.71790631 28.09484718 9.24961111
0.00089330 0.00066986 0.00006653
-0.01271776 0.00821568 -0.00007876
10.61654489 -7.42703672 -0.84108953
0.00003064 -0.00009179 -0.00012974
0.01729166 -0.01650135 0.02264581
8.67009691 -7.18185389 -2.88967071
-0.00027664 0.00041263 -0.00020569
-0.00872684 -0.00706578 -0.00227088
-6.97465467 0.59938079 6.30104571
-0.00032092 0.00024097 0.00035790
0.01699428 -0.01379526 0.01166699
-9.56531902 -0.60133529 6.88616764
-0.00084067 -0.00006345 0.00079177
0.00444517 0.00256877 0.00454230
21.77620608 10.10480225 9.83116718
0.00013168 0.00036911 0.00026099
-0.01321022 0.00898664 0.00197710
21.00504223 12.34309923 8.25437190
0.00002242 0.00036935 0.00017816
0.00726334 0.03841453 -0.01137730
-1.51953943 -3.71481821 -26.49478134
0.00057391 -0.00023433 0.00001694
-0.00698439 0.03825344 -0.01206211
-4.11936681 -2.17987779 -26.79892551
0.00096917 0.00013804 -0.00026583
0.03247032 0.00304251 -0.00557008
-13.96690537 7.17517906 9.18578264
0.00057366 -0.00017569 0.00028091
-0.00564758 0.00376574 -0.00766729
-15.44783819 7.11739294 6.59719368
-0.00032027 -0.00027674 0.00061109
0.01106506 0.00231431 0.01178778
-11.27526982 7.34806507 -3.27672050
-0.00027100 0.00076493 0.00120103
0.01471408 -0.00235774 0.01042155
-8.56530880 8.32417199 -3.71451599
0.00099770 0.00001408 0.00021982
-0.00561615 -0.00815213 0.01021593
-1.18268120 -17.25079756 23.33519517
0.00078307 0.00079375 -0.00057498
0.01079373 -0.00570344 -0.00545402
-3.42186979 -15.72749909 24.07947949
0.00039232 0.00070887 -0.00090264
-0.07750455 -0.00159520 0.02192304
-2.34006487 6.06433011 -8.06183513
0.00071445 0.00070311 0.00071067
-0.00661552 -0.00166190 -0.00347040
-4.15998644 7.45579611 -6.16740900
-0.00028109 -0.00140695 0.00051489
0.01515659 -0.01433113 0.00088664
-21.31348684 30.24065412 3.06534379
-0.00060169 -0.00148742 -0.00022274
0.00906615 0.00003909 -0.00117294
-21.21963532 31.45058630 5.55815841
-0.00008676 -0.00103236 0.00093990
-0.01410865 0.01398380 0.02292325
7.12363920 -0.20881719 6.14729928
-0.00001122 -0.00095744 -0.00023124
-0.01245144 0.00087393 -0.03201523
7.65475975 1.97118823 8.02908522
0.00032983 0.00002408 0.00031528
-0.00644950 -0.00277105 -0.00263259
7.05043686 12.68711654 -14.13377648
0.00011527 -0.00021581 -0.00015498
0.00448874 0.01182088 0.00842769
4.32975559 11.82005684 -14.90744601
-0.00080018 -0.00003595 -0.00080879
0.02218899 0.00059499 0.01415245
14.48546405 3.73426140 -3.11415405
-0.00018806 -0.00017201 0.00020478
-0.00158478 -0.00002595 0.00685865
15.06196666 1.05136066 -1.91677092
-0.00049478 -0.00080555 -0.00016748
0.00394531 0.02603483 -0.00161164
-2.61306564 13.24758269 -0.35112177
-0.00001144 -0.00048245 -0.00011871
-0.00609703 0.00118917 -0.01008566
-5.28380839 12.85176279 0.58953983
-0.00047721 0.00013565 0.00040945
-0.00505863 0.00879653 -0.01560801
3.76834029 10.71460366 3.55353268
-0.00073940 -0.00076696 0.00027759
0.00417739 0.03020521 -0.01048642
6.35027085 12.00128459 3.13805705
-0.00002926 -0.00066389 -0.00078558
0.03117227 -0.00646051 0.00340876
25.14566955 -12.74582278 -8.31597004
-0.00002084 0.00091955 0.00023677
0.00786142 -0.00846807 0.00160615
26.44281151 -11.53291875 -11.01388770
0.00122157 -0.00027445 -0.00065647
-0.00937987 -0.00553174 0.01610805
14.72671194 -3.90335020 -0.64359109
-0.00040621 0.00065194 0.00099205
-0.00074859 -0.00095194 0.00446636
17.23022834 -5.53915782 -0.72163453
0.00015407 -0.00028233 0.00036048
-0.01769106 0.02622753 0.00307746
12.42134209 8.02703867 11.74423338
0.00015967 0.00034246 0.00077569
-0.01756491 -0.00355920 0.03216269
13.42754129 9.71622870 9.62984235
0.00036662 0.00031916 0.00108429
-0.00619659 -0.00734498 -0.00509259
-0.16150517 -14.40266852 17.20644946
0.00050598 -0.00069656 0.00012609
0.00328908 -0.01071972 -0.00257886
1.41266889 -12.29311256 18.25967351
0.00000170 0.00029632 0.00031042
0.00879366 0.01093105 0.00685919
-3.78922536 -2.42678122 -13.55590379
-0.00006634 -0.00005361 0.00038070
-0.01270402 0.03126150 -0.00325802
-3.33427274 -0.83095641 -15.87040334
0.00014411 -0.00089634 -0.00087477
0.01694453 0.00024732 -0.03000220
14.21777634 -8.20129715 -10.44675676
0.00069414 -0.00024739 -0.00111552
0.00124249 -0.00223261 -0.01284033
16.46089060 -6.38273076 -9.49885537
0.00008557 0.00026102 -0.00057048
-0.02685470 -0.01535854 0.01725828
7.05072468 -5.74115243 8.99874984
-0.00045354 -0.00094646 -0.00054434
0.00789565 -0.01673884 -0.00205262
9.42296787 -6.14304833 7.32061383
0.00057099 -0.00115710 0.00029861
-0.01232789 -0.01460040 0.02785092
-21.59765274 1.96918769 20.94632726
-0.00050225 0.00048421 0.00093680
0.00282728 -0.00185288 0.00045981
-21.96313337 0.91453676 23.73551158
-0.00065959 0.00080389 0.00127194
-0.00089187 0.00398154 -0.01029854
26.67696345 -3.01433294 -6.45406719
0.00017153 0.00013663 -0.00053113
-0.00640568 0.00195927 -0.00374192
25.18035303 -1.57021434 -8.44369689
0.00030346 -0.00014435 -0.00030316
-0.00402968 0.01589262 -0.00243729
9.27645649 -15.82229183 -7.66034304
0.00079399 0.00062352 -0.00008249
0.00731293 0.02256816 -0.00108009
9.00670904 -12.84720159 -6.95912281
0.00062137 -0.00032907 0.00045087
-0.00527151 0.00040171 0.00511695
-5.89207283 -11.10898747 18.09121446
-0.00043746 -0.00036003 0.00023756
-0.00960290 -0.02556546 -0.01590112
-7.29423079 -11.36244093 15.57651891
0.00044626 -0.00028696 -0.00001559
0.00247754 -0.00280614 -0.00117532
8.50032807 1.50619604 -29.33383344
-0.00018652 -0.00017842 0.00029728
0.00146996 0.02817718 -0.00282198
6.46193603 3.32960560 -30.15221322
-0.00066672 0.00061258 0.00104825
-0.01994722 -0.00208261 -0.01260726
12.55628962 15.43629613 14.49703987
0.00077797 0.00059800 0.00048778
0.00249128 -0.01009633 0.00595035
11.07614201 15.86838271 17.16810105
0.00037825 0.00005463 0.00089426
0.00201761 -0.00500724 -0.02832667
29.40433078 4.82628840 -4.35630007
-0.00050470 0.00002686 -0.00008473
-0.00833442 0.00377916 -0.00475861
26.94573215 6.43296430 -3.80958871
0.00013481 -0.00031820 -0.00053017
-0.02019078 0.00407502 -0.00801272
-9.94250173 4.84941429 6.74896318
0.00001314 -0.00002533 -0.00024370
-0.00260097 0.01064306 -0.00065081
-8.70974109 13.30396091 2.59633485
-0.00007150 0.00006922 0.00000104
-0.00372678 0.00088969 -0.00177057
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09438506
0.29338159
390.91625942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.407 s
total exchange = -52.3639551413 (a.u.)
total exchange computation time: 2.5334999561 s
-154.0851089681
-931.38554965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.388 s
total exchange = -52.3636960971 (a.u.)
total exchange computation time: 2.5310389996 s
-154.0882845685
Anderson extrapolation: theta=1.3577329314 (1.3577329314)
-931.38579775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.392 s
total exchange = -52.3632543541 (a.u.)
total exchange computation time: 2.5330588818 s
-154.0934074124
Anderson extrapolation: theta=0.0590785163 (0.0590785163)
-931.38595057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.388 s
total exchange = -52.3631535598 (a.u.)
total exchange computation time: 2.5314540863 s
-154.0944176687
Anderson extrapolation: theta=2.1129312439 (2.0000000000)
-931.38595799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.388 s
total exchange = -52.3629251504 (a.u.)
total exchange computation time: 2.5318899155 s
-154.0966288737
Anderson extrapolation: theta=0.3029516490 (0.3029516490)
-931.38596729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.388 s
total exchange = -52.3628496874 (a.u.)
total exchange computation time: 2.5314919949 s
-154.0973057170
Anderson extrapolation: theta=1.4637068613 (1.4637068613)
-931.38596963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.386 s
total exchange = -52.3627577356 (a.u.)
total exchange computation time: 2.5319349766 s
-154.0980916638
Anderson extrapolation: theta=0.3696120105 (0.3696120105)
-931.38597217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.385 s
total exchange = -52.3627445441 (a.u.)
total exchange computation time: 2.5320181847 s
-154.0981704007
Anderson extrapolation: theta=1.0390393857 (1.0390393857)
-931.38597297
-115.808639 66.971790 142.426482
559.578503 1031.353269 -411.595368
443.769864 1098.325059 -269.168887
1214.784556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1289561925
ExchangeOperator: bisection time: 4.386 s
total exchange = -52.3627475752 (a.u.)
total exchange computation time: 2.5673170090 s
678.83911454
-1083.40712995
89.81597917
-389.42540583
-174.84578390
78.10713623
551.60419304
0.00000000
-931.38597355
3.96307726 -30.84800579 -2.27680468
0.00014157 -0.00039344 0.00001410
-0.00496684 -0.01167723 0.00729404
-11.54624023 -1.83704258 -9.23469935
0.00018494 0.00039391 -0.00011232
-0.01892834 -0.00538551 -0.00955906
-37.47483380 2.45553834 0.11607928
-0.00010423 -0.00005352 0.00022804
-0.01023853 0.02594706 -0.02273593
-11.71886552 -4.11044339 3.85946352
-0.00010849 -0.00020855 0.00011722
0.05084254 -0.00763255 -0.00211625
4.28884217 -3.95226978 9.24794953
-0.00032304 -0.00019146 -0.00030387
0.02072185 0.02557550 -0.01130170
-32.08449325 -0.49050618 -0.42534773
-0.00044902 0.00032468 0.00025198
-0.00208644 -0.01680048 -0.00327043
14.53631364 12.60063993 -13.84830058
-0.00041100 -0.00011028 0.00028866
0.05715084 -0.02530174 0.08563069
-7.70791125 6.04456087 2.56650470
-0.00004600 0.00005345 0.00006296
0.00408763 -0.03270525 -0.01188650
7.57486740 12.55497000 -5.82534234
0.00000074 -0.00014050 -0.00033279
-0.01740637 -0.00982113 -0.00402187
8.84863498 9.88199866 -18.95763415
-0.00007681 0.00010791 0.00009879
0.00839738 0.00148396 -0.03643126
23.34542204 17.30604469 -2.18715509
-0.00020980 0.00006579 -0.00009413
-0.02262344 0.04160252 0.00824334
2.20747495 16.86535786 -19.58185166
-0.00019944 -0.00016804 -0.00023434
0.02344882 -0.00928242 0.06327840
14.02035391 -1.19999846 -5.60970799
0.00007294 0.00024305 -0.00036654
-0.00270804 0.00017914 0.02593933
-16.06002904 -1.43987626 3.19776975
0.00009984 0.00021316 0.00008523
-0.01966297 -0.02942699 -0.00090629
-16.70360450 -1.92588977 19.02135893
0.00048741 -0.00020103 -0.00044977
0.01972153 -0.01557765 0.01554034
0.39968908 2.02423194 -4.94628031
-0.00000266 0.00011184 0.00017897
0.00179151 0.00562579 0.00210277
22.59134027 -7.13937660 -8.86345390
0.00019628 0.00009657 0.00010556
0.02980963 -0.01959643 -0.00799542
-0.66018650 -6.37172324 7.23740428
-0.00013547 0.00019512 -0.00002953
-0.00421239 -0.00282051 0.01364602
-1.75381116 -1.40454335 -19.33744909
0.00008958 -0.00003670 -0.00003787
-0.03604469 0.03454118 -0.01555230
3.22519173 1.99217153 -9.29795803
-0.00004473 -0.00036875 0.00008059
0.02547652 -0.01676939 -0.02269529
-3.85968000 17.83392838 12.30886436
-0.00016117 -0.00013813 0.00007487
0.03830449 -0.00691220 -0.00195995
-3.86047905 4.97803388 -11.07744016
0.00001327 0.00002024 -0.00001704
0.02763566 0.00814837 0.05048767
-7.97744096 2.96984643 -8.98970396
0.00016270 -0.00027218 -0.00001316
-0.04627398 -0.02040838 0.03279794
2.25754411 27.42936337 8.61441449
0.00024024 0.00013219 0.00018563
0.02121716 0.00197581 -0.02890334
9.79924499 -6.21405827 -1.85427568
-0.00029461 -0.00008872 0.00013122
-0.00946800 0.02426127 -0.01694695
-8.74063954 0.77118061 6.00970670
0.00012959 0.00018457 0.00002466
-0.03329407 -0.00047581 -0.01024040
20.34716273 10.81283256 8.87531424
-0.00005249 0.00005674 -0.00007930
0.00739836 -0.04044623 0.00976665
-2.27189977 -2.11500408 -27.27705943
0.00034366 0.00002739 -0.00022189
-0.02456597 -0.04003956 0.01510722
-14.33052158 6.16890625 7.70330080
-0.00003476 0.00010704 0.00026946
0.00549474 -0.01234571 -0.00192011
-9.58046611 7.29004823 -2.50874184
0.00012366 0.00005896 0.00017157
-0.02390020 0.00214433 -0.00870705
-1.79648345 -15.53516030 23.60444635
-0.00015390 0.00026542 -0.00037086
0.08147457 0.01457670 -0.01572819
-2.66213401 6.30803545 -6.28238324
-0.00017790 0.00008787 0.00006608
-0.01164782 0.01434895 0.01059191
-20.05881585 30.98988539 4.27420878
0.00002490 -0.00039747 -0.00030376
-0.02730994 -0.03952435 -0.01229566
7.60293102 0.15340778 7.82294519
0.00004531 0.00039581 -0.00042730
0.01501843 0.00580776 0.03749397
5.69818272 11.52907995 -13.66013941
0.00031386 0.00017158 0.00046012
-0.04448591 -0.02414951 -0.02004544
15.54476074 2.84385504 -1.91507740
-0.00011581 -0.00018852 0.00017307
0.00809948 -0.01554049 0.00662112
-4.35303318 13.47194375 -0.92083992
-0.00016346 -0.00030782 0.00026133
0.01421691 -0.01447935 0.01908034
4.62123768 12.42186900 3.09073800
0.00020591 0.00002695 -0.00041305
-0.03816075 -0.00134040 -0.00248718
25.00022866 -11.65743962 -9.76395870
0.00010972 0.00017861 -0.00024074
0.00367099 0.01372348 -0.02068802
16.53111630 -3.75266652 -0.52548105
0.00029330 0.00021975 -0.00024567
0.02031201 -0.02245212 -0.00613664
12.99752150 7.95992943 10.06667736
0.00021483 0.00001859 0.00005148
0.02167971 0.00619898 -0.02795190
1.59396495 -13.98452346 17.65336211
-0.00009986 -0.00019395 -0.00008741
0.00232933 0.00654825 -0.00369866
-4.15661224 -0.70878825 -14.29340375
0.00041385 -0.00001122 0.00036553
0.00536301 -0.02764983 0.02182383
15.10355570 -7.74419037 -8.92740246
-0.00001714 0.00045395 0.00031073
0.01192082 0.01396274 -0.00896805
8.49797093 -6.95123295 8.78828147
-0.00034009 -0.00019860 0.00023023
0.01769492 0.03652711 -0.03195048
-21.22853260 2.29806895 22.72262188
0.00016961 -0.00007418 -0.00005799
-0.00020760 0.00084284 0.01481948
25.70913956 -3.25026958 -8.01161025
-0.00012519 -0.00004448 -0.00023122
0.01656243 -0.00883370 0.00899967
9.84251548 -14.06123385 -8.03059317
0.00005532 0.00014695 -0.00046364
0.00321668 -0.01631413 -0.00594405
-6.65075127 -12.43763150 16.93304066
-0.00029713 -0.00013983 0.00016266
0.02571628 0.04357148 0.00716806
8.07763234 3.34250227 -29.36275386
-0.00038865 -0.00043317 0.00001968
0.01733552 -0.03328763 0.00828497
10.85034487 15.38015822 15.34189304
-0.00000438 -0.00007287 -0.00000050
0.02178660 0.03600261 0.01949998
28.62622949 6.09852704 -3.26717043
0.00019775 0.00019257 -0.00025489
0.02200238 0.00248654 0.01564376
5.45892693 -31.24051879 -3.21951879
-0.00011538 -0.00035995 -0.00026933
0.00842437 -0.00637414 -0.01414525
4.22158497 -31.56996593 -0.61649380
0.00082023 0.00051661 0.00056661
-0.00000958 0.00070661 0.00897715
-11.65267557 -3.62367555 -8.66643910
-0.00014543 0.00016922 0.00007004
-0.00522321 0.01709362 -0.01070705
-12.63990660 -1.54640766 -10.72675946
0.00020397 0.00107014 -0.00020518
0.01453527 -0.00951035 0.01855628
-39.05499552 2.01046466 0.91363909
0.00047768 -0.00002524 -0.00016971
0.00047309 0.00058486 0.00478938
-37.92736867 4.02202919 -0.95048229
-0.00017039 -0.00059845 0.00020727
0.01027332 -0.02692318 0.01779191
-10.47561522 -5.61158909 3.60197603
0.00011121 0.00037988 -0.00018883
-0.02846107 0.02079583 0.00181715
-10.52208387 -2.68373828 3.61332563
-0.00029275 0.00011673 0.00000728
-0.01600910 -0.01470090 0.00461211
5.02001741 -2.45980190 8.31930184
-0.00052161 0.00074752 -0.00035885
-0.01368916 -0.02107935 0.01801244
4.71401060 -3.58932696 11.02564214
-0.00065997 0.00008865 -0.00001097
-0.01003456 -0.00181436 -0.00604746
-33.39449452 -1.73026541 -0.67501969
-0.00028201 0.00020578 0.00049273
-0.00734881 0.00299182 0.00749051
-32.63254175 0.68362649 0.84769255
-0.00028493 0.00117007 0.00110297
-0.00706935 0.00318768 -0.00224211
14.55055061 12.61112350 -15.56085296
-0.00061643 -0.00012715 0.00039042
-0.01055984 0.00565935 -0.08002588
16.33600131 11.94852062 -13.48911780
-0.00039798 0.00055241 -0.00011978
-0.03917737 0.01946968 -0.00408909
-8.76550310 7.20350905 1.60496306
0.00031342 -0.00001213 0.00052730
0.00720206 -0.00707607 -0.00434469
-7.40953644 4.53489862 1.38390039
-0.00009972 0.00110524 0.00036164
-0.00801964 0.03719854 0.01448779
6.13223505 12.31043618 -6.92397859
-0.00053232 -0.00005691 -0.00049636
0.00142111 0.00086930 0.00166800
8.81601907 13.67825184 -6.77746871
-0.00043332 -0.00044560 0.00062477
-0.00082976 -0.00643762 0.00672149
8.46648014 8.85095401 -20.47507065
0.00013854 0.00008494 0.00005166
0.00536984 0.00963564 0.01888517
9.99987311 11.22118918 -19.64808307
-0.00059456 -0.00016909 -0.00070130
-0.00265009 -0.01951201 0.01447947
23.69482003 15.61307181 -2.56698589
0.00010928 -0.00034574 -0.00017214
0.01762134 -0.02884656 -0.01154084
24.96977499 18.20563429 -2.25430930
-0.00020272 0.00014496 0.00024298
-0.00888854 -0.00064481 -0.00685650
1.52092901 16.78647426 -21.21939414
0.00086554 0.00034471 -0.00013872
-0.00867209 -0.00453072 -0.03653250
3.17144661 15.26708409 -19.12089363
0.00085491 0.00093773 -0.00062878
-0.01147937 0.01665682 -0.01652776
12.64515512 -0.57210032 -6.63305734
-0.00084586 -0.00040054 0.00054398
-0.00415765 -0.01083872 -0.01056754
13.34349471 -1.18108362 -3.87909682
-0.00024585 0.00070581 -0.00028291
0.00558814 0.00130151 -0.01649401
-17.45082566 -2.67053829 2.73453618
-0.00111183 0.00098193 -0.00126112
0.02018725 0.01708814 0.01303671
-14.60666217 -2.52958955 3.58035200
0.00022191 0.00048252 -0.00046157
-0.00592666 -0.00217242 -0.01084676
-16.36009888 -0.48921625 20.17611999
-0.00096149 -0.00020953 0.00056009
0.00058601 -0.00430891 -0.00751079
-15.44223102 -3.22469105 19.50231006
0.00066475 -0.00073509 0.00052065
-0.01275229 0.01869432 -0.00210688
-0.72803689 0.53339181 -5.06256726
0.00054334 -0.00112959 0.00048126
0.00319719 0.00192509 0.00113100
-0.70084029 3.48253657 -4.99942552
0.00065387 -0.00019113 0.00008809
-0.00585999 -0.00008362 0.00155275
23.55625630 -8.77364007 -9.17056301
0.00033399 0.00060202 0.00038065
-0.02258682 0.01779179 0.00187189
24.00718280 -5.92640491 -8.75550380
0.00045115 -0.00077377 -0.00013703
-0.01620617 0.00143734 0.00577279
0.29886109 -6.01951509 5.72513287
-0.00056448 -0.00069284 -0.00015216
0.00621610 0.00386492 -0.00080645
0.22167161 -5.59931034 8.66854850
0.00066394 -0.00151334 0.00029351
0.00128314 -0.00477824 -0.01387120
-0.76178228 -2.79621174 -18.88685032
0.00025372 0.00073898 -0.00079748
0.01443312 -0.03152273 -0.00066635
-3.05540420 -1.81987448 -20.64322932
0.00022446 0.00030531 0.00017207
0.01723479 -0.00729129 0.01790018
2.59789990 2.36569359 -10.97856506
-0.00041657 0.00096720 -0.00034276
0.00211943 0.00770143 0.00497734
2.20270134 2.71108063 -8.02663914
0.00031611 -0.00063349 0.00027768
-0.02455117 0.00479086 0.02043054
-2.32596198 16.64396684 12.41103595
0.00095229 -0.00019629 -0.00003430
-0.01850962 0.02053018 0.00332614
-3.45585747 19.19148438 13.53317684
-0.00002694 -0.00126447 0.00038690
-0.00547996 -0.01712817 -0.00534627
-4.83309873 6.27238939 -11.72514776
-0.00112247 0.00055514 0.00158162
-0.03037739 0.03792668 -0.01737110
-3.59922904 3.85902459 -12.36439915
-0.00088960 -0.00053381 0.00003267
0.01019296 -0.04454969 -0.04468415
-7.81495416 2.09464472 -7.34999559
0.00061195 -0.00004244 0.00007045
0.00275253 0.00953188 -0.02100418
-6.34608215 3.44576826 -9.40360948
-0.00053896 -0.00067989 0.00043593
0.04092024 0.01231038 -0.00985214
2.65276915 28.30037191 6.97686206
0.00083822 -0.00026567 0.00021748
-0.01209439 -0.01584591 0.02841392
0.73091615 28.10514681 9.25060662
0.00083540 0.00070616 0.00006855
-0.01562455 0.00955164 0.00106999
10.61753439 -7.42891924 -0.84234176
0.00010033 -0.00015896 -0.00003833
0.01681939 -0.01637942 0.02210352
8.66567991 -7.17588092 -2.89282557
-0.00031242 0.00038261 -0.00021507
-0.00878998 -0.00763116 -0.00232441
-6.97894773 0.60257255 6.30677179
-0.00024524 0.00018352 0.00040701
0.02005228 -0.01432616 0.01237282
-9.57779290 -0.60220830 6.89818334
-0.00081491 -0.00004149 0.00080284
0.00816464 0.00818167 0.00087765
21.77777651 10.11061427 9.83514257
0.00007582 0.00040630 0.00026808
-0.01413277 0.00922080 0.00149690
21.00560116 12.34981660 8.25669565
0.00004996 0.00052221 0.00013305
0.00621673 0.03641030 -0.01070260
-1.51114473 -3.71716094 -26.49489693
0.00054425 -0.00007539 -0.00003351
-0.00753720 0.03954671 -0.01263307
-4.10383426 -2.17771402 -26.80308367
0.00109371 0.00015039 -0.00028639
0.02849356 0.00300375 -0.00449555
-13.95847355 7.17265904 9.18976139
0.00055022 -0.00015954 0.00024978
-0.00582659 0.00414130 -0.00757398
-15.45230315 7.11331269 6.60672126
-0.00027708 -0.00026484 0.00065743
0.01007654 0.00351197 0.01089590
-11.27888394 7.35946681 -3.25838570
-0.00021044 0.00075567 0.00124198
0.01493003 -0.00217822 0.00962293
-8.55051535 8.32413341 -3.71090561
0.00097015 -0.00002124 0.00026297
-0.00787131 -0.00913816 0.01090618
-1.17060436 -17.23906605 23.32640332
0.00082552 0.00076825 -0.00059710
0.00998383 -0.00677807 -0.00537094
-3.41836001 -15.71691488 24.06661175
0.00006289 0.00069951 -0.00080968
-0.08375267 -0.00298954 0.02357773
-2.32955078 6.07482582 -8.05128136
0.00068797 0.00069528 0.00068809
-0.00634597 -0.00217278 -0.00758498
-4.16373831 7.43425267 -6.15965845
-0.00022575 -0.00145931 0.00051792
0.01193226 -0.01129639 0.00059326
-21.32223435 30.21834397 3.06196668
-0.00056029 -0.00148219 -0.00022241
0.01119768 0.00252434 0.00133441
-21.22136907 31.43552937 5.57295937
-0.00013526 -0.00097919 0.00102201
-0.00963023 0.01204519 0.01727036
7.12308941 -0.22315207 6.14284967
-0.00006153 -0.00095054 -0.00035936
-0.01217813 0.00250758 -0.03070162
7.65950953 1.97146449 8.03373368
0.00030267 0.00001649 0.00030221
-0.00684503 -0.00094146 -0.00376407
7.05230350 12.68424157 -14.13584298
0.00013617 -0.00016531 -0.00012124
0.00573990 0.01290201 0.00808901
4.31843279 11.81953580 -14.91914413
-0.00069431 -0.00003624 -0.00073734
0.02963707 -0.00073550 0.02082098
14.48259466 3.73168038 -3.11087211
-0.00019444 -0.00017210 0.00023284
-0.00154062 -0.00001681 0.00687287
15.05466589 1.04007513 -1.91933256
-0.00047602 -0.00069060 -0.00017337
0.00523542 0.03023584 -0.00126940
-2.61342414 13.24038245 -0.35321142
-0.00003744 -0.00047780 -0.00015929
-0.00663006 0.00108410 -0.00977928
-5.29112151 12.85406715 0.59520334
-0.00049637 0.00017168 0.00034502
-0.00432361 0.00883991 -0.01593259
3.75737729 10.70402477 3.55737523
-0.00071897 -0.00063666 0.00023195
0.00582413 0.03357940 -0.01185602
6.35078720 11.99112828 3.12637781
0.00009819 -0.00069071 -0.00077125
0.03121376 -0.00667020 0.00360680
25.14559788 -12.73228905 -8.31236931
0.00001118 0.00088384 0.00024428
0.00781093 -0.00901109 0.00207286
26.46084765 -11.53720498 -11.02324117
0.00117525 -0.00029625 -0.00058475
-0.01329603 -0.00514001 0.01900211
14.72059587 -3.89360028 -0.62857345
-0.00039950 0.00064819 0.00101064
0.00403302 -0.00088166 0.00463033
17.23199729 -5.54258911 -0.71613295
0.00008015 -0.00017259 0.00037271
-0.01849420 0.02749190 0.00290780
12.42319888 8.03206654 11.75685431
0.00009185 0.00032613 0.00089408
-0.01563361 -0.00443618 0.02578780
13.43285074 9.72079097 9.64595069
0.00034123 0.00028778 0.00106176
-0.00623425 -0.00801565 -0.00593774
-0.15381475 -14.41344535 17.20826186
0.00051269 -0.00073986 0.00011463
-0.00000363 -0.01047586 -0.00303138
1.41296393 -12.28833279 18.26454004
0.00003783 0.00033240 0.00033531
0.00889132 0.00672876 0.00532183
-3.79060972 -2.42662741 -13.55029308
-0.00011734 0.00007317 0.00036787
-0.01226275 0.03079714 -0.00302495
-3.33159189 -0.84439388 -15.88444431
0.00020415 -0.00089423 -0.00098006
0.01244887 0.00078357 -0.02153809
14.22822658 -8.20507638 -10.46388302
0.00070539 -0.00025272 -0.00115303
0.00426294 -0.00037932 -0.00551950
16.46135118 -6.37928604 -9.50688369
-0.00002349 0.00019859 -0.00049757
-0.02652841 -0.01520298 0.01842993
7.04416357 -5.75586219 8.99052189
-0.00042459 -0.00100972 -0.00055246
0.00627331 -0.01423076 -0.00192391
9.43115494 -6.16085224 7.32594645
0.00051920 -0.00121493 0.00041247
-0.01302181 -0.01370830 0.02788352
-21.60509984 1.97639411 20.96039332
-0.00049384 0.00047298 0.00092596
0.00129067 -0.00364472 -0.00576697
-21.97305456 0.92671704 23.75427515
-0.00066136 0.00082301 0.00122535
0.00002469 0.00538005 -0.01250779
26.67934005 -3.01222342 -6.46214881
0.00014622 0.00014420 -0.00054528
-0.00598336 0.00174602 -0.00318461
25.18478142 -1.57189258 -8.44831895
0.00028572 -0.00007666 -0.00031432
-0.00465455 0.01724125 -0.00302634
9.28859047 -15.81224745 -7.66161352
0.00082149 0.00070794 -0.00008567
0.00614644 0.01875385 -0.00047627
9.01586808 -12.85212538 -6.95220300
0.00059997 -0.00032653 0.00047165
-0.00520640 0.00084357 0.00505424
-5.89892900 -11.11517125 18.09429062
-0.00047559 -0.00046267 0.00017389
-0.00906074 -0.02467868 -0.01526599
-7.28746093 -11.36683137 15.57624899
0.00045473 -0.00029662 -0.00002250
0.00166819 -0.00192203 -0.00220352
8.49757536 1.50438317 -29.32946066
-0.00018196 -0.00006598 0.00028473
0.00076255 0.02686171 -0.00332440
6.45132404 3.33873041 -30.13687585
-0.00074942 0.00060199 0.00099548
-0.02053607 -0.00309917 -0.01322159
12.56803550 15.44495681 14.50453892
0.00078331 0.00055558 0.00051227
0.00012456 -0.01067054 0.00603540
11.08187755 15.86904870 17.18064698
0.00038420 0.00003176 0.00076899
0.00089581 -0.00618892 -0.03299423
29.39650483 4.82680704 -4.35771680
-0.00053517 0.00003930 -0.00010597
-0.00657829 0.00231049 -0.00563969
26.94713557 6.42831617 -3.81778674
0.00005339 -0.00030089 -0.00056144
-0.01966619 0.00439635 -0.00729635
-9.94231155 4.84906297 6.74530601
0.00001221 -0.00002148 -0.00024391
-0.00259227 0.01081877 -0.00053886
-8.71082011 13.30500082 2.59634742
-0.00007236 0.00006943 0.00000063
-0.00364387 0.00084132 -0.00175226
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09467433
0.29129921
388.14159579
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3586869056 (a.u.)
total exchange computation time: 2.5263991356 s
-154.0719909202
-931.38465175
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3585533804 (a.u.)
total exchange computation time: 2.5257031918 s
-154.0744653246
Anderson extrapolation: theta=1.3757231455 (1.3757231455)
-931.38491533
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.119 s
total exchange = -52.3583386984 (a.u.)
total exchange computation time: 2.5253148079 s
-154.0783111044
Anderson extrapolation: theta=0.0677517992 (0.0677517992)
-931.38508358
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.119 s
total exchange = -52.3582973823 (a.u.)
total exchange computation time: 2.5289781094 s
-154.0789713052
Anderson extrapolation: theta=2.3617864492 (2.0000000000)
-931.38509401
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3582097135 (a.u.)
total exchange computation time: 2.5264539719 s
-154.0803113732
Anderson extrapolation: theta=0.4507284181 (0.4507284181)
-931.38510865
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.119 s
total exchange = -52.3581797266 (a.u.)
total exchange computation time: 2.5258481503 s
-154.0807598432
Anderson extrapolation: theta=0.9869870673 (0.9869870673)
-931.38511341
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3581702971 (a.u.)
total exchange computation time: 2.5278668404 s
-154.0809340380
Anderson extrapolation: theta=0.5574152268 (0.5574152268)
-931.38511695
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3581848530 (a.u.)
total exchange computation time: 2.5249660015 s
-154.0807784570
Anderson extrapolation: theta=0.7191429032 (0.7191429032)
-931.38511843
-115.841730 66.917875 142.429114
559.590386 1031.348753 -411.532834
443.748656 1098.266628 -269.103719
1214.709540
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3582090026 (a.u.)
total exchange computation time: 2.6163959503 s
678.78216525
-1083.27140295
89.81503511
-389.51771704
-174.83499055
78.03159622
551.60419304
0.00000000
-931.38511918
3.96518164 -30.85395245 -2.27656511
0.00013891 -0.00039952 0.00001823
-0.00538866 -0.01196530 0.00879263
-11.54353911 -1.83115472 -9.23642107
0.00017513 0.00039088 -0.00011721
-0.01924093 -0.00639130 -0.00943300
-37.47643673 2.45483561 0.11941211
-0.00010831 -0.00004019 0.00021595
-0.00561801 0.02587835 -0.02424442
-11.72029678 -4.11360114 3.86121366
-0.00008240 -0.00021198 0.00011608
0.05060732 -0.00568055 -0.00231265
4.28407653 -3.95504306 9.24334787
-0.00031207 -0.00017748 -0.00030973
0.02194729 0.02879544 -0.01149640
-32.09123660 -0.48570083 -0.42158063
-0.00045048 0.00031754 0.00025179
-0.00357245 -0.01094952 0.00253939
14.53036914 12.59888811 -13.84364031
-0.00038189 -0.00012301 0.00033236
0.05604266 -0.02417982 0.08427549
-7.70858554 6.04523650 2.56740326
-0.00004360 0.00003716 0.00005805
0.00524417 -0.03064686 -0.00719294
7.57481133 12.55282467 -5.83034963
-0.00000972 -0.00014635 -0.00033467
-0.02324555 -0.01294744 -0.00331292
8.84751518 9.88362303 -18.95629285
-0.00007259 0.00010844 0.00007997
0.00803943 0.00056947 -0.03675698
23.34218775 17.30719207 -2.18853519
-0.00022112 0.00008601 -0.00009014
-0.02138220 0.03700659 0.00726691
2.20457385 16.86280145 -19.58512263
-0.00018730 -0.00017208 -0.00020108
0.02375746 -0.00641173 0.06603117
14.02143758 -1.19635201 -5.61510610
0.00007120 0.00024324 -0.00035277
-0.00407779 0.00054483 0.02763938
-16.05860723 -1.43679244 3.19904469
0.00008874 0.00019805 0.00008435
-0.02352347 -0.02932673 -0.00250887
-16.69621725 -1.92896534 19.01467229
0.00049819 -0.00020939 -0.00044104
0.02218747 -0.01693971 0.01843094
0.39965606 2.02593122 -4.94358765
-0.00000121 0.00011300 0.00018008
0.00386015 -0.00111375 0.00219531
22.59439943 -7.13800361 -8.86190140
0.00021108 0.00008655 0.00010150
0.02773051 -0.01938755 -0.00777804
-0.66223483 -6.36880728 7.23701391
-0.00013815 0.00019329 -0.00002215
-0.00618788 -0.00429711 0.01508479
-1.75260642 -1.40496068 -19.33807713
0.00007050 -0.00001756 -0.00004577
-0.03816478 0.03992059 -0.01515385
3.22461901 1.98657556 -9.29683671
-0.00003204 -0.00037708 0.00006736
0.02387175 -0.01563323 -0.02876854
-3.86194987 17.83182969 12.30997991
-0.00014059 -0.00014297 0.00007331
0.04175690 -0.01190879 -0.00412187
-3.86017346 4.97836891 -11.07750104
0.00002714 0.00002495 0.00000799
0.02632912 0.01015259 0.04686014
-7.97517894 2.96568495 -8.98977492
0.00013722 -0.00028314 0.00000419
-0.05279916 -0.02219373 0.03470696
2.26122959 27.43135384 8.61708738
0.00025171 0.00013279 0.00017069
0.02336145 0.00034183 -0.02919083
9.79478936 -6.21529555 -1.85237281
-0.00029925 -0.00007639 0.00012281
-0.00858800 0.02369343 -0.01575564
-8.73882407 0.77394736 6.01003714
0.00011114 0.00018310 0.00002014
-0.03845154 -0.00523693 -0.00733367
20.34640388 10.81352762 8.87416240
-0.00004812 0.00003674 -0.00007453
0.00962037 -0.03731619 0.00878561
-2.26683964 -2.11474772 -27.28032955
0.00033239 0.00000665 -0.00021435
-0.01926799 -0.04061666 0.01424063
-14.33102172 6.17046416 7.70733531
-0.00003154 0.00010026 0.00026871
0.00701021 -0.01399180 -0.00100226
-9.57870333 7.29094093 -2.50620181
0.00011185 0.00006018 0.00016726
-0.02202520 0.00259186 -0.00808380
-1.79847764 -15.53112282 23.59882272
-0.00011117 0.00027325 -0.00037907
0.08468886 0.01588199 -0.01617970
-2.66484743 6.30940891 -6.28135115
-0.00018294 0.00009444 0.00007253
-0.00794127 0.01120059 0.01449502
-20.05854775 30.98377083 4.26960496
0.00000921 -0.00041767 -0.00030913
-0.03369125 -0.03900638 -0.00860422
7.60366865 0.15936740 7.81668029
0.00005296 0.00039785 -0.00040839
0.01471455 0.00210533 0.03603783
5.70271904 11.53156047 -13.65331493
0.00028910 0.00015908 0.00044844
-0.05181310 -0.02445016 -0.02536338
15.54305484 2.84096728 -1.91245581
-0.00011190 -0.00019732 0.00017638
0.00711647 -0.01866606 0.00624362
-4.35543030 13.46727063 -0.91684637
-0.00015624 -0.00031518 0.00027106
0.01386303 -0.01415220 0.01875485
4.62417910 12.42226810 3.08453261
0.00018607 0.00002549 -0.00041405
-0.03899156 -0.00434230 -0.00137386
25.00188865 -11.65470747 -9.76764958
0.00011254 0.00018570 -0.00025200
0.00728894 0.01382191 -0.02309636
16.53559410 -3.74945683 -0.52918972
0.00030268 0.00020800 -0.00024878
0.01616991 -0.02326110 -0.00597879
13.00082765 7.96023216 10.06734176
0.00022540 0.00002203 0.00003914
0.01941511 0.00718987 -0.02003818
1.59247609 -13.98740741 17.65203673
-0.00009782 -0.00018929 -0.00008870
0.00559211 0.01158011 -0.00131077
-4.15038378 -0.70906317 -14.28783656
0.00041765 -0.00002529 0.00037443
0.00941537 -0.02708098 0.01275212
15.10334458 -7.73732719 -8.92277603
-0.00001190 0.00046056 0.00030416
0.00847700 0.01170604 -0.01660872
8.49293786 -6.95407099 8.79161170
-0.00033034 -0.00018066 0.00021391
0.02023095 0.03320852 -0.03151252
-21.22598924 2.29695949 22.72180920
0.00016969 -0.00007362 -0.00004822
0.00052439 0.00133186 0.02317708
25.70732553 -3.25097080 -8.01504386
-0.00011668 -0.00004916 -0.00022664
0.01653120 -0.00937615 0.00881403
9.84335764 -14.05909257 -8.03757068
0.00005720 0.00013959 -0.00046680
0.00410401 -0.01231481 -0.00635744
-6.65510895 -12.43956087 16.93550826
-0.00028389 -0.00011794 0.00016635
0.02575577 0.04154749 0.00717341
8.07186952 3.33587639 -29.36242667
-0.00037962 -0.00044946 0.00002407
0.01775517 -0.03008813 0.00877051
10.85036317 15.37920411 15.34196078
0.00000768 -0.00005394 0.00001044
0.02512598 0.03760131 0.02303372
28.62928058 6.10142518 -3.27093339
0.00020834 0.00019419 -0.00024682
0.01917453 0.00381903 0.01573049
5.45745436 -31.24611339 -3.22399227
-0.00008035 -0.00038614 -0.00032711
0.00872297 -0.00644314 -0.01413762
4.23388805 -31.56219510 -0.60771954
0.00081952 0.00052046 0.00060031
-0.00033746 0.00117767 0.00751707
-11.65501710 -3.62061344 -8.66571654
-0.00016684 0.00024156 0.00002479
-0.00525617 0.01831494 -0.01144431
-12.63640168 -1.53064697 -10.72926856
0.00026376 0.00103001 -0.00012797
0.01473180 -0.01013356 0.01923727
-39.04781575 2.01010392 0.91124013
0.00047046 -0.00002562 -0.00014487
-0.00401057 -0.00076662 0.00737084
-37.92960966 4.01222740 -0.94682809
-0.00012876 -0.00070482 0.00027781
0.01010522 -0.02514298 0.01673885
-10.47481925 -5.60525357 3.59919931
-0.00000385 0.00046210 -0.00018138
-0.02786044 0.01944940 0.00182793
-10.52696569 -2.68243778 3.61357616
-0.00035878 0.00005592 0.00002647
-0.01631376 -0.01506678 0.00478314
5.01177371 -2.44923501 8.31447098
-0.00057970 0.00065519 -0.00028174
-0.01474173 -0.02411778 0.01973541
4.70380358 -3.58805283 11.02529227
-0.00070106 0.00008037 -0.00003879
-0.01007872 -0.00223638 -0.00757204
-33.39894991 -1.72708699 -0.66739917
-0.00031340 0.00021775 0.00052355
-0.00801526 0.00286425 0.00759683
-32.63703232 0.70127525 0.86416839
-0.00030908 0.00117107 0.00108140
-0.00475265 -0.00270026 -0.00831621
14.54098060 12.60938960 -15.55744896
-0.00066036 -0.00010394 0.00006508
-0.01094711 0.00570558 -0.07922714
16.32883106 11.95740340 -13.49103975
-0.00055452 0.00062996 -0.00013532
-0.03744941 0.01849272 -0.00351959
-8.76058111 7.20311035 1.61273949
0.00033849 -0.00003585 0.00050593
0.00507206 -0.00453747 -0.00611855
-7.41127794 4.55261717 1.38976899
-0.00013062 0.00124772 0.00041484
-0.00710636 0.03254336 0.01155111
6.12429375 12.30960919 -6.93137284
-0.00052007 -0.00005230 -0.00048597
0.00457668 0.00138483 0.00341893
8.80949380 13.67137059 -6.76789112
-0.00043176 -0.00046706 0.00064655
0.00159574 -0.00406675 0.00393610
8.46872279 8.85252332 -20.47371702
0.00015939 0.00012282 0.00012879
0.00483679 0.00890811 0.01887165
9.99087351 11.21805487 -19.65815895
-0.00060309 -0.00024584 -0.00064164
-0.00152428 -0.01805776 0.01472759
23.69699922 15.60700181 -2.56992164
0.00017973 -0.00045417 -0.00021692
0.01686258 -0.02423357 -0.01037855
24.96646178 18.20778895 -2.25087468
-0.00023887 0.00014207 0.00021399
-0.00880687 -0.00077150 -0.00733331
1.53364634 16.79150601 -21.22259448
0.00082717 0.00032540 -0.00029501
-0.01010848 -0.00492142 -0.03996978
3.18391844 15.28166051 -19.13083178
0.00080971 0.00100077 -0.00069462
-0.01064661 0.01419842 -0.01570050
12.63233989 -0.57844060 -6.62522141
-0.00086214 -0.00044418 0.00049831
-0.00381293 -0.01051961 -0.01178788
13.33997825 -1.17045666 -3.88384593
-0.00022070 0.00070982 -0.00035100
0.00672137 0.00066204 -0.01683442
-17.46688457 -2.65528578 2.71601880
-0.00102156 0.00105392 -0.00120413
0.02400190 0.01815286 0.01486255
-14.60351517 -2.52241835 3.57309603
0.00019780 0.00047013 -0.00050594
-0.00587470 -0.00389077 -0.01087217
-16.37450326 -0.49249116 20.18429118
-0.00095838 -0.00023117 0.00052590
0.00093435 -0.00628664 -0.00922351
-15.43265049 -3.23514462 19.51005518
0.00060694 -0.00065198 0.00050960
-0.01554822 0.02198845 -0.00330040
-0.71978880 0.51650688 -5.05531370
0.00055893 -0.00111409 0.00048590
0.00443522 0.00566360 0.00113960
-0.69121174 3.47966707 -4.99805666
0.00062293 -0.00018556 0.00009393
-0.00928821 0.00280871 0.00130887
23.56057395 -8.76406451 -9.16479591
0.00024261 0.00066864 0.00038679
-0.02214154 0.01481858 0.00113491
24.01345346 -5.93796738 -8.75738234
0.00038791 -0.00076219 -0.00011292
-0.01475286 0.00423203 0.00603000
0.29058443 -6.02978933 5.72282573
-0.00053617 -0.00067574 -0.00015804
0.00764077 0.00450835 -0.00207127
0.23167004 -5.62215688 8.67252611
0.00067025 -0.00153093 0.00023666
0.00180413 -0.00383253 -0.01395600
-0.75753420 -2.78609306 -18.89883298
0.00031987 0.00060046 -0.00079725
0.01794549 -0.03628000 0.00078022
-3.05150911 -1.81551826 -20.64009979
0.00029179 0.00027435 0.00024171
0.01572065 -0.00786226 0.01618955
2.59171633 2.38043766 -10.98355387
-0.00040366 0.00099572 -0.00031188
0.00419812 0.00625654 0.01013620
2.20669063 2.70172511 -8.02184793
0.00021445 -0.00061312 0.00036291
-0.02521057 0.00518106 0.02129143
-2.31224488 16.64165164 12.41062340
0.00086943 -0.00010893 -0.00002163
-0.02205071 0.02223270 0.00287531
-3.45642951 19.17199240 13.53881648
-0.00004857 -0.00132710 0.00036985
-0.00510943 -0.01352505 -0.00299692
-4.85086661 6.28187871 -11.70195575
-0.00124041 0.00069950 0.00151379
-0.02735537 0.03273600 -0.01583071
-3.61226062 3.84965231 -12.36527836
-0.00085145 -0.00070931 -0.00014531
0.00847788 -0.04135783 -0.04243948
-7.80569062 2.09430028 -7.34958250
0.00062136 -0.00000501 -0.00001443
0.00185682 0.00878797 -0.02054546
-6.35291257 3.43594716 -9.39737237
-0.00035683 -0.00062469 0.00039075
0.04822956 0.01471215 -0.01226581
2.66497187 28.29590130 6.98099495
0.00078877 -0.00032952 0.00033231
-0.01211166 -0.01540968 0.02779744
0.74296842 28.11603183 9.25166770
0.00076737 0.00074730 0.00007460
-0.01768038 0.01058760 0.00189169
10.61955468 -7.43180559 -0.84223935
0.00016680 -0.00022386 0.00004932
0.01572205 -0.01538777 0.02080186
8.66072420 -7.17037564 -2.89612289
-0.00034794 0.00035064 -0.00022424
-0.00859737 -0.00801742 -0.00216119
-6.98201187 0.60488631 6.31325615
-0.00016013 0.00012405 0.00045808
0.02160741 -0.01478383 0.01262634
-9.58976640 -0.60257990 6.91025283
-0.00077464 0.00000229 0.00079947
0.01154688 0.01324513 -0.00252505
21.77848080 10.11699139 9.83920969
0.00001691 0.00044415 0.00027358
-0.01470591 0.00930487 0.00119380
21.00654109 12.35876543 8.25836347
0.00007217 0.00066433 0.00009170
0.00465606 0.03316221 -0.00954104
-1.50321196 -3.71708000 -26.49578676
0.00051295 0.00008723 -0.00008558
-0.00778308 0.04005617 -0.01285494
-4.08655546 -2.17536615 -26.80751734
0.00120006 0.00016254 -0.00030207
0.02356263 0.00294471 -0.00317567
-13.95039882 7.17039282 9.19327596
0.00052616 -0.00014183 0.00021927
-0.00595023 0.00452893 -0.00735953
-15.45615054 7.10944767 6.61691661
-0.00023842 -0.00024780 0.00069965
0.00884594 0.00482849 0.00977049
-11.28158305 7.37073506 -3.23946116
-0.00014999 0.00074715 0.00127928
0.01466017 -0.00198879 0.00863440
-8.53620432 8.32353479 -3.70662683
0.00093376 -0.00006015 0.00030846
-0.00994226 -0.00990918 0.01136195
-1.15791566 -17.22774995 23.31728230
0.00086413 0.00073901 -0.00061871
0.00891473 -0.00753516 -0.00520841
-3.41998312 -15.70651389 24.05518900
-0.00028279 0.00068542 -0.00071268
-0.08546055 -0.00390649 0.02390462
-2.31942562 6.08518837 -8.04119246
0.00066262 0.00068550 0.00064916
-0.00606598 -0.00261302 -0.01147315
-4.16675890 7.41201692 -6.15187154
-0.00018473 -0.00149866 0.00051989
0.00814488 -0.00796753 0.00037438
-21.33029559 30.19618854 3.05867134
-0.00051081 -0.00146704 -0.00021233
0.01302269 0.00488815 0.00360063
-21.22369303 31.42121064 5.58881877
-0.00016500 -0.00093404 0.00108009
-0.00492857 0.01005346 0.01116057
7.12179326 -0.23733328 6.13651848
-0.00011007 -0.00093643 -0.00047954
-0.01158054 0.00439665 -0.02812590
7.66383980 1.97168305 8.03815145
0.00027396 0.00001662 0.00028470
-0.00720747 0.00100563 -0.00480459
7.05452192 12.68215732 -14.13741372
0.00016153 -0.00011103 -0.00008864
0.00667702 0.01366752 0.00787038
4.30892634 11.81896969 -14.92956622
-0.00056076 -0.00004139 -0.00064101
0.03573806 -0.00178532 0.02633564
14.47963085 3.72909834 -3.10716896
-0.00020065 -0.00017210 0.00026088
-0.00149872 0.00001585 0.00685681
15.04768598 1.03064265 -1.92197199
-0.00045246 -0.00056045 -0.00017781
0.00629746 0.03347320 -0.00090511
-2.61418898 13.23324865 -0.35590041
-0.00006508 -0.00047369 -0.00019832
-0.00689946 0.00093027 -0.00932584
-5.29869960 12.85691327 0.59989040
-0.00051271 0.00020761 0.00027984
-0.00367174 0.00874814 -0.01597521
3.74677122 10.69550384 3.56049117
-0.00069239 -0.00049415 0.00018110
0.00718760 0.03617837 -0.01303582
6.35321653 11.98056319 3.11491962
0.00022310 -0.00071787 -0.00075614
0.02992901 -0.00662228 0.00378990
25.14600491 -12.71930757 -8.30864153
0.00004286 0.00084635 0.00025318
0.00769832 -0.00933871 0.00228301
26.47806894 -11.54180621 -11.03143007
0.00111425 -0.00031631 -0.00050248
-0.01656293 -0.00467809 0.02126608
14.71472697 -3.88390441 -0.61327203
-0.00037344 0.00064477 0.00102967
0.00872178 -0.00079286 0.00468841
17.23263281 -5.54433552 -0.71045317
0.00000362 -0.00005892 0.00038410
-0.01896752 0.02814863 0.00266831
12.42409755 8.03682253 11.77105567
0.00003239 0.00030619 0.00098477
-0.01346939 -0.00532245 0.01860699
13.43777812 9.72486200 9.66169513
0.00031578 0.00025410 0.00103578
-0.00622466 -0.00846688 -0.00678109
-0.14612455 -14.42486422 17.20988847
0.00050612 -0.00078217 0.00010144
-0.00320904 -0.01023573 -0.00342625
1.41380388 -12.28314063 18.26973271
0.00007379 0.00034964 0.00035317
0.00870829 0.00171127 0.00342087
-3.79274563 -2.42458617 -13.54486776
-0.00016591 0.00019641 0.00035646
-0.01151321 0.02953092 -0.00256094
-3.32814810 -0.85778333 -15.89980526
0.00024577 -0.00088964 -0.00104990
0.00792055 0.00146422 -0.01264737
14.23893809 -8.20887886 -10.48134755
0.00072842 -0.00025049 -0.00116101
0.00700785 0.00147451 0.00161120
16.46018593 -6.37677305 -9.51378251
-0.00013065 0.00013722 -0.00042023
-0.02592909 -0.01483835 0.01942807
7.03798693 -5.77144411 8.98217603
-0.00040289 -0.00106225 -0.00056003
0.00435054 -0.01147949 -0.00177959
9.43854395 -6.17949629 7.33298794
0.00046545 -0.00126843 0.00052511
-0.01328864 -0.01247859 0.02725478
-21.61246783 1.98337716 20.97410594
-0.00049188 0.00045458 0.00088960
-0.00033539 -0.00536144 -0.01203021
-21.98297423 0.93922705 23.77227217
-0.00065944 0.00084751 0.00116996
0.00091438 0.00661080 -0.01460781
26.68134995 -3.01000689 -6.47042560
0.00012289 0.00015094 -0.00055680
-0.00543391 0.00155156 -0.00245295
25.18892454 -1.57251417 -8.45312648
0.00026585 -0.00000465 -0.00032759
-0.00507179 0.01800938 -0.00347084
9.30110114 -15.80105371 -7.66291319
0.00084389 0.00077539 -0.00008611
0.00481881 0.01426467 0.00026380
9.02470805 -12.85699748 -6.94497344
0.00057915 -0.00032256 0.00049171
-0.00498360 0.00110189 0.00476980
-5.90634047 -11.12286750 18.09643119
-0.00051086 -0.00056050 0.00011379
-0.00820534 -0.02321222 -0.01415601
-7.28058884 -11.37133960 15.57584403
0.00045994 -0.00030265 -0.00003359
0.00088094 -0.00103084 -0.00322908
8.49486937 1.50421656 -29.32529162
-0.00017995 0.00003948 0.00027021
0.00022041 0.02476419 -0.00378200
6.43945347 3.34766528 -30.12234878
-0.00083265 0.00058723 0.00094112
-0.02020656 -0.00412375 -0.01338956
12.57978902 15.45296353 14.51240786
0.00077910 0.00051086 0.00053694
-0.00218684 -0.01121776 0.00604043
11.08766799 15.86933539 17.19117083
0.00038576 0.00000460 0.00062661
-0.00013339 -0.00710549 -0.03670341
29.38827572 4.82746728 -4.35947917
-0.00055841 0.00004566 -0.00013079
-0.00480029 0.00080637 -0.00651212
26.94733371 6.42393748 -3.82643194
-0.00002432 -0.00028252 -0.00058922
-0.01837054 0.00459877 -0.00629925
-9.94213528 4.84876975 6.74164594
0.00001128 -0.00001758 -0.00024408
-0.00260673 0.01098224 -0.00041076
-8.71191182 13.30604366 2.59635389
-0.00007319 0.00006961 0.00000023
-0.00356756 0.00076379 -0.00171514
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09429361
0.29082558
387.51050293
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3554438159 (a.u.)
total exchange computation time: 2.5903718472 s
-154.0575639853
-931.38587995
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3552810479 (a.u.)
total exchange computation time: 2.5918991566 s
-154.0599125213
Anderson extrapolation: theta=1.3730966407 (1.3730966407)
-931.38614339
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3549796080 (a.u.)
total exchange computation time: 2.6145350933 s
-154.0637487691
Anderson extrapolation: theta=0.0662358037 (0.0662358037)
-931.38630937
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.119 s
total exchange = -52.3548956258 (a.u.)
total exchange computation time: 2.6150581837 s
-154.0645446209
Anderson extrapolation: theta=2.2882460518 (2.0000000000)
-931.38631870
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3547079266 (a.u.)
total exchange computation time: 2.5931580067 s
-154.0662275830
Anderson extrapolation: theta=0.3942190981 (0.3942190981)
-931.38633074
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3546368637 (a.u.)
total exchange computation time: 2.5908360481 s
-154.0667953527
Anderson extrapolation: theta=1.0457718738 (1.0457718738)
-931.38633391
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3545843294 (a.u.)
total exchange computation time: 2.5918171406 s
-154.0671541717
Anderson extrapolation: theta=0.4855769930 (0.4855769930)
-931.38633618
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3545826551 (a.u.)
total exchange computation time: 2.5905091763 s
-154.0670983513
Anderson extrapolation: theta=0.7753826598 (0.7753826598)
-931.38633694
-115.881041 66.871440 142.423880
559.598893 1031.346601 -411.471970
443.717851 1098.218041 -269.048090
1214.642035
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1291725257
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3546001145 (a.u.)
total exchange computation time: 2.6152000427 s
678.73420447
-1083.15303490
89.81185259
-389.59905492
-174.82570435
77.96576167
551.60419304
0.00000000
-931.38633722
3.96724445 -30.85999142 -2.27625771
0.00013618 -0.00040574 0.00002313
-0.00523192 -0.01221850 0.01024131
-11.54098643 -1.82531617 -9.23821557
0.00016527 0.00038742 -0.00012193
-0.01909339 -0.00706988 -0.00891375
-37.47808300 2.45433252 0.12255791
-0.00010997 -0.00002709 0.00020324
-0.00084781 0.02509406 -0.02518173
-11.72133762 -4.11680271 3.86294595
-0.00005670 -0.00021439 0.00011489
0.04935312 -0.00369973 -0.00233701
4.27948021 -3.95759420 9.23865752
-0.00030059 -0.00016205 -0.00031563
0.02266058 0.03119534 -0.01142442
-32.09800752 -0.48097994 -0.41779393
-0.00045266 0.00031332 0.00025449
-0.00490307 -0.00544850 0.00794961
14.52485698 12.59694975 -13.83832988
-0.00035366 -0.00013504 0.00037420
0.05373708 -0.02260240 0.07844459
-7.70921937 6.04567569 2.56824632
-0.00004065 0.00002217 0.00005575
0.00624039 -0.02765048 -0.00177925
7.57457592 12.55057945 -5.83538248
-0.00002314 -0.00015385 -0.00033613
-0.02896299 -0.01619759 -0.00237669
8.84645741 9.88525179 -18.95523512
-0.00006859 0.00010850 0.00006120
0.00750624 -0.00032760 -0.03623604
23.33878850 17.30862494 -2.18985922
-0.00023177 0.00010355 -0.00008670
-0.02002073 0.03121890 0.00609143
2.20185604 16.86019559 -19.58788419
-0.00017530 -0.00017457 -0.00016694
0.02290741 -0.00327282 0.06674569
14.02248979 -1.19270136 -5.62029097
0.00006874 0.00024363 -0.00033832
-0.00547488 0.00100034 0.02852097
-16.05736690 -1.43393486 3.20030027
0.00007579 0.00018315 0.00008269
-0.02684098 -0.02859604 -0.00394724
-16.68865882 -1.93217159 19.00812784
0.00051007 -0.00021831 -0.00043089
0.02401076 -0.01772642 0.02102404
0.39965283 2.02762190 -4.94087804
0.00000133 0.00011075 0.00018123
0.00601394 -0.00764131 0.00230297
22.59767253 -7.13678019 -8.86040891
0.00022463 0.00007674 0.00009759
0.02497241 -0.01876885 -0.00743146
-0.66433089 -6.36592447 7.23673991
-0.00014180 0.00019072 -0.00001412
-0.00801944 -0.00570248 0.01614196
-1.75169611 -1.40507004 -19.33882208
0.00005071 0.00000399 -0.00005320
-0.03881076 0.04387247 -0.01376859
3.22423046 1.98085898 -9.29593733
-0.00002036 -0.00038468 0.00005138
0.02156637 -0.01388311 -0.03335140
-3.86389759 17.82963913 12.31106365
-0.00011843 -0.00015030 0.00007057
0.04441692 -0.01658979 -0.00654663
-3.85966475 4.97878225 -11.07720041
0.00004011 0.00003058 0.00003047
0.02407876 0.01176561 0.04054933
-7.97332424 2.96135225 -8.98957812
0.00010896 -0.00029475 0.00002221
-0.05711157 -0.02294819 0.03533835
2.26509530 27.43334695 8.61953507
0.00026400 0.00013252 0.00015593
0.02444857 -0.00135795 -0.02817863
9.79026747 -6.21635004 -1.85059149
-0.00030334 -0.00006461 0.00011515
-0.00732565 0.02211551 -0.01402576
-8.73730523 0.77667372 6.01031100
0.00009033 0.00017933 0.00001706
-0.04248418 -0.00942359 -0.00466371
20.34571924 10.81393479 8.87307835
-0.00004258 0.00001869 -0.00007042
0.01190601 -0.03289677 0.00720082
-2.26192815 -2.11480471 -27.28348981
0.00032401 -0.00001416 -0.00020740
-0.01330378 -0.04028632 0.01275661
-14.33146779 6.17191413 7.71136210
-0.00002752 0.00009263 0.00026845
0.00863784 -0.01569723 -0.00000587
-9.57711046 7.29185362 -2.50372415
0.00010110 0.00006156 0.00016337
-0.01980691 0.00279104 -0.00703695
-1.79981848 -15.52696282 23.59307426
-0.00006804 0.00028160 -0.00038716
0.08300988 0.01657166 -0.01529179
-2.66762211 6.31086878 -6.28020723
-0.00018592 0.00009930 0.00008086
-0.00365910 0.00768544 0.01789177
-20.05853957 30.97735534 4.26493476
-0.00000965 -0.00043752 -0.00031248
-0.03964993 -0.03819266 -0.00442343
7.60451980 0.16534327 7.81069340
0.00006035 0.00039789 -0.00039056
0.01404443 -0.00193999 0.03331395
5.70685564 11.53385237 -13.64668611
0.00026102 0.00014648 0.00043428
-0.05738795 -0.02455389 -0.02969681
15.54140384 2.83793552 -1.90978605
-0.00010844 -0.00020747 0.00017948
0.00633569 -0.02082210 0.00581395
-4.35772048 13.46248834 -0.91270813
-0.00014925 -0.00032233 0.00028050
0.01331299 -0.01363568 0.01793982
4.62681971 12.42263370 3.07831662
0.00016622 0.00002257 -0.00041451
-0.03818672 -0.00700168 -0.00041471
25.00360487 -11.65186870 -9.77151865
0.00011710 0.00019271 -0.00026428
0.01044980 0.01345059 -0.02467667
16.54019665 -3.74642660 -0.53294451
0.00030989 0.00019600 -0.00025177
0.01189368 -0.02339503 -0.00565167
13.00428358 7.96059036 10.06785157
0.00023476 0.00002592 0.00003100
0.01695480 0.00793988 -0.01163136
1.59103037 -13.99020203 17.65070124
-0.00009410 -0.00018208 -0.00008876
0.00887714 0.01644381 0.00107651
-4.14408269 -0.70954701 -14.28217099
0.00042335 -0.00003887 0.00037843
0.01275020 -0.02571918 0.00283152
15.10319885 -7.73037371 -8.91827774
-0.00000840 0.00046593 0.00029380
0.00511694 0.00917488 -0.02366890
8.48806086 -6.95665283 8.79469882
-0.00031934 -0.00016459 0.00019801
0.02252526 0.02927431 -0.03033180
-21.22344184 2.29586030 22.72117532
0.00017019 -0.00007279 -0.00003426
0.00139291 0.00191174 0.03109804
25.70563904 -3.25174435 -8.01840946
-0.00010829 -0.00005396 -0.00022225
0.01610685 -0.00928683 0.00826707
9.84423147 -14.05704629 -8.04459723
0.00005953 0.00013449 -0.00047016
0.00495822 -0.00749963 -0.00668977
-6.65926793 -12.44116972 16.93803120
-0.00027074 -0.00009727 0.00016991
0.02537582 0.03883515 0.00666450
8.06624368 3.32901839 -29.36203183
-0.00037068 -0.00046388 0.00002858
0.01702227 -0.02599258 0.00877509
10.85057532 15.37854009 15.34220622
0.00002139 -0.00003429 0.00002296
0.02816386 0.03878588 0.02566994
28.63247960 6.10435279 -3.27457498
0.00021728 0.00019652 -0.00023880
0.01560713 0.00522808 0.01546910
5.45651639 -31.25210286 -3.22933218
-0.00004497 -0.00041238 -0.00038421
0.00859763 -0.00640277 -0.01381303
4.24617046 -31.55435210 -0.59848459
0.00081741 0.00052626 0.00062769
-0.00069139 0.00165971 0.00588705
-11.65768076 -3.61642889 -8.66569535
-0.00018834 0.00031790 -0.00002308
-0.00526673 0.01905545 -0.01199112
-12.63199391 -1.51550733 -10.73059868
0.00032349 0.00098770 -0.00004918
0.01450973 -0.01057710 0.01933118
-39.04088177 2.00969619 0.90929289
0.00044508 -0.00003147 -0.00010961
-0.00840989 -0.00210114 0.00988939
-37.93123135 4.00088470 -0.94214802
-0.00008822 -0.00080263 0.00034316
0.00973672 -0.02273931 0.01525219
-10.47573074 -5.59772607 3.59653461
-0.00011556 0.00053788 -0.00017406
-0.02682237 0.01764427 0.00175777
-10.53284732 -2.68206067 3.61411983
-0.00042517 -0.00000534 0.00004619
-0.01618413 -0.01491933 0.00486938
5.00262654 -2.44014620 8.31084962
-0.00064130 0.00055194 -0.00019865
-0.01541203 -0.02642398 0.02093898
4.69297887 -3.58691576 11.02447833
-0.00074218 0.00007044 -0.00007232
-0.01005311 -0.00262650 -0.00883957
-33.40389652 -1.72373304 -0.65931307
-0.00034735 0.00022920 0.00055472
-0.00860449 0.00274444 0.00765737
-32.64181415 0.71875853 0.88013457
-0.00032417 0.00114886 0.00103594
-0.00263462 -0.00817298 -0.01393687
14.53073969 12.60800538 -15.55890049
-0.00070583 -0.00008060 -0.00024857
-0.01130952 0.00571955 -0.07430553
16.31936568 11.96741953 -13.49317740
-0.00070188 0.00070279 -0.00014825
-0.03468560 0.01715489 -0.00281180
-8.75534827 7.20243355 1.62014093
0.00035475 -0.00004891 0.00047735
0.00288601 -0.00185627 -0.00787289
-7.41345496 4.57233018 1.39634551
-0.00015731 0.00136912 0.00045462
-0.00595829 0.02688363 0.00792095
6.11663292 12.30886707 -6.93855756
-0.00049512 -0.00004550 -0.00046854
0.00763801 0.00194453 0.00511328
8.80306633 13.66424011 -6.75807230
-0.00041990 -0.00047840 0.00065672
0.00420663 -0.00148468 0.00104234
8.47126188 8.85463858 -20.47120682
0.00017776 0.00015696 0.00020477
0.00415617 0.00780176 0.01831663
9.98178049 11.21381386 -19.66733223
-0.00060639 -0.00031590 -0.00058143
-0.00009456 -0.01623277 0.01474698
23.70021184 15.59944662 -2.57349346
0.00024662 -0.00054181 -0.00025651
0.01588232 -0.01866414 -0.00900075
24.96260883 18.20989633 -2.24788949
-0.00027432 0.00013887 0.00018309
-0.00854467 -0.00079259 -0.00779395
1.54574416 16.79623615 -21.22824442
0.00078439 0.00030488 -0.00046197
-0.01083158 -0.00512230 -0.04176062
3.19573778 15.29710711 -19.14173215
0.00076858 0.00105299 -0.00075663
-0.00948585 0.01136267 -0.01465744
12.61929098 -0.58542558 -6.61810791
-0.00087645 -0.00048670 0.00044809
-0.00319080 -0.01029723 -0.01279875
13.33687372 -1.15978912 -3.88962675
-0.00019136 0.00071125 -0.00041933
0.00764189 0.00004040 -0.01661351
-17.48147250 -2.63892075 2.69841229
-0.00091697 0.00112922 -0.00114007
0.02719614 0.01870584 0.01649752
-14.60072822 -2.51548560 3.56517375
0.00017423 0.00045069 -0.00055037
-0.00566286 -0.00562386 -0.01087373
-16.38885038 -0.49615136 20.19189709
-0.00095379 -0.00026060 0.00048483
0.00131246 -0.00811989 -0.01088401
-15.42402284 -3.24425059 19.51759803
0.00053894 -0.00055678 0.00049400
-0.01773648 0.02461590 -0.00433674
-0.71126890 0.49996905 -5.04799030
0.00057917 -0.00108372 0.00049046
0.00547081 0.00920541 0.00109468
-0.68215244 3.47696970 -4.99660758
0.00057814 -0.00016824 0.00009879
-0.01263790 0.00567204 0.00106990
23.56353464 -8.75358078 -9.15895924
0.00015383 0.00072203 0.00038974
-0.02131552 0.01131416 0.00031036
24.01881997 -5.94927047 -8.75889133
0.00033116 -0.00073897 -0.00008777
-0.01302639 0.00713100 0.00628061
0.28277604 -6.03978726 5.72039165
-0.00050237 -0.00065630 -0.00016874
0.00890135 0.00500482 -0.00316459
0.24177905 -5.64523831 8.67564841
0.00067880 -0.00154460 0.00017987
0.00237986 -0.00285963 -0.01384715
-0.75218631 -2.77819785 -18.91076782
0.00039853 0.00044544 -0.00079207
0.02056268 -0.03960395 0.00175594
-3.04665056 -1.81164388 -20.63597806
0.00035192 0.00024094 0.00030338
0.01371245 -0.00849306 0.01400103
2.58579005 2.39556517 -10.98792146
-0.00038259 0.00101831 -0.00026094
0.00611798 0.00480055 0.01479686
2.20913487 2.69268712 -8.01575185
0.00011169 -0.00059231 0.00044976
-0.02509059 0.00500494 0.02122308
-2.29987919 16.64069900 12.41038706
0.00077326 -0.00001567 -0.00001081
-0.02502567 0.02341623 0.00241948
-3.45731468 19.15167152 13.54427244
-0.00006850 -0.00137442 0.00036302
-0.00464333 -0.00963922 -0.00034862
-4.87031099 6.29337429 -11.67973395
-0.00134353 0.00081954 0.00145321
-0.02312533 0.02602443 -0.01382641
-3.62477263 3.83774537 -12.36875853
-0.00082102 -0.00086797 -0.00030996
0.00641730 -0.03631115 -0.03815726
-7.79631328 2.09449442 -7.35042856
0.00062719 0.00002867 -0.00009608
0.00099347 0.00770034 -0.01942136
-6.35678718 3.42702770 -9.39188699
-0.00014925 -0.00056096 0.00033678
0.05338543 0.01648227 -0.01415041
2.67643231 28.29048628 6.98683145
0.00073977 -0.00039070 0.00044288
-0.01187438 -0.01454002 0.02632460
0.75393713 28.12756572 9.25284471
0.00069223 0.00079207 0.00008363
-0.01909946 0.01132878 0.00252640
10.62253852 -7.43563500 -0.84086207
0.00022761 -0.00028306 0.00013024
0.01404469 -0.01359416 0.01880757
8.65524159 -7.16536171 -2.89955266
-0.00038213 0.00031748 -0.00023228
-0.00813561 -0.00821438 -0.00177523
-6.98375177 0.60629403 6.32051433
-0.00006921 0.00006307 0.00051054
0.02290106 -0.01506667 0.01305189
-9.60103224 -0.60213974 6.92216757
-0.00072135 0.00006539 0.00078299
0.01453938 0.01764448 -0.00554426
21.77828383 10.12393877 9.84334997
-0.00004352 0.00048199 0.00027829
-0.01487498 0.00922046 0.00111354
21.00776638 12.36974664 8.25944656
0.00008717 0.00079098 0.00005590
0.00268231 0.02883308 -0.00798273
-1.49575618 -3.71454417 -26.49746442
0.00048127 0.00025028 -0.00013784
-0.00772424 0.03976220 -0.01272631
-4.06783259 -2.17283782 -26.81214563
0.00128435 0.00017441 -0.00031185
0.01770159 0.00286813 -0.00161313
-13.94268876 7.16840416 9.19633950
0.00050172 -0.00012253 0.00018986
-0.00601142 0.00491783 -0.00703905
-15.45945581 7.10587858 6.62771076
-0.00020523 -0.00022520 0.00073685
0.00740289 0.00623585 0.00844121
-11.28338370 7.38188142 -3.22000745
-0.00009162 0.00073945 0.00131218
0.01391099 -0.00178249 0.00747393
-8.52250260 8.32232888 -3.70165171
0.00088934 -0.00010176 0.00035532
-0.01180254 -0.01045722 0.01157548
-1.14468061 -17.21689565 23.30784209
0.00089804 0.00070714 -0.00063952
0.00768622 -0.00806502 -0.00498121
-3.42684377 -15.69635231 24.04523127
-0.00062556 0.00066841 -0.00061714
-0.08232434 -0.00441728 0.02286491
-2.30967222 6.09539078 -8.03180669
0.00063837 0.00067412 0.00059510
-0.00580454 -0.00295711 -0.01498868
-4.16928032 7.38929286 -6.14406169
-0.00016025 -0.00152392 0.00052113
0.00383803 -0.00439529 0.00023300
-21.33755872 30.17433268 3.05559668
-0.00045454 -0.00144256 -0.00019353
0.01452094 0.00709880 0.00560353
-21.22631904 31.40750804 5.60536215
-0.00017558 -0.00089697 0.00111286
-0.00025184 0.00809562 0.00487904
7.11978739 -0.25124504 6.12846356
-0.00015559 -0.00091413 -0.00058695
-0.01070185 0.00652181 -0.02445537
7.66772835 1.97196324 8.04227477
0.00024385 0.00002481 0.00026314
-0.00753011 0.00300054 -0.00575047
7.05714955 12.68091070 -14.13850213
0.00018996 -0.00005438 -0.00005662
0.00723726 0.01406177 0.00780209
4.30161014 11.81829416 -14.93837429
-0.00040499 -0.00005034 -0.00052441
0.04050901 -0.00259655 0.03073698
14.47657519 3.72651726 -3.10304558
-0.00020668 -0.00017192 0.00028881
-0.00145586 0.00007203 0.00681166
15.04109201 1.02326161 -1.92466689
-0.00042505 -0.00041912 -0.00018074
0.00711958 0.03571033 -0.00052771
-2.61537665 13.22617186 -0.35916095
-0.00009322 -0.00047031 -0.00023520
-0.00687521 0.00072051 -0.00872796
-5.30650273 12.86029553 0.60359841
-0.00052654 0.00024289 0.00021505
-0.00310147 0.00851949 -0.01573548
3.73660565 10.68920013 3.56280820
-0.00066076 -0.00034246 0.00012581
0.00829575 0.03807492 -0.01402944
6.35748008 11.96959223 3.10369369
0.00034017 -0.00074428 -0.00074028
0.02737945 -0.00630448 0.00397289
25.14688374 -12.70689843 -8.30477385
0.00007397 0.00080814 0.00026213
0.00752686 -0.00936618 0.00209626
26.49427514 -11.54669415 -11.03831566
0.00104077 -0.00033433 -0.00041176
-0.01940423 -0.00414564 0.02314366
14.70939260 -3.87425712 -0.59768328
-0.00032875 0.00064173 0.00104871
0.01315558 -0.00069491 0.00463293
17.23210587 -5.54435681 -0.70460985
-0.00007417 0.00005617 0.00039439
-0.01910879 0.02819148 0.00236620
12.42417073 8.04125233 11.78639739
-0.00001798 0.00028266 0.00104528
-0.01118851 -0.00619833 0.01101255
13.44232402 9.72841412 9.67702398
0.00029048 0.00021905 0.00100637
-0.00615686 -0.00869241 -0.00761560
-0.13863102 -14.43691039 17.21130510
0.00048668 -0.00082332 0.00008677
-0.00630996 -0.00990695 -0.00375592
1.41517753 -12.27784360 18.27513504
0.00010897 0.00034657 0.00036340
0.00851659 -0.00321512 0.00158731
-3.79558713 -2.42073508 -13.53959938
-0.00021144 0.00031294 0.00034761
-0.01077081 0.02750979 -0.00177172
-3.32421889 -0.87108304 -15.91594133
0.00026922 -0.00088215 -0.00108363
0.00355968 0.00220005 -0.00386187
14.25007908 -8.21259096 -10.49871333
0.00076187 -0.00024084 -0.00114072
0.00936908 0.00324905 0.00832178
16.45743159 -6.37516944 -9.51949065
-0.00023481 0.00007774 -0.00033920
-0.02505601 -0.01427695 0.02023747
7.03207693 -5.78772956 8.97372110
-0.00038957 -0.00110312 -0.00056700
0.00216876 -0.00852931 -0.00163613
9.44511855 -6.19890510 7.34169977
0.00041155 -0.00131622 0.00063379
-0.01309640 -0.01091737 0.02594652
-21.61985638 1.99003163 20.98708128
-0.00049667 0.00042945 0.00082811
-0.00200529 -0.00694202 -0.01807026
-21.99283787 0.95214221 23.78937393
-0.00065405 0.00087660 0.00110636
0.00172392 0.00762993 -0.01652403
26.68302682 -3.00769527 -6.47885272
0.00010204 0.00015692 -0.00056501
-0.00477173 0.00137809 -0.00156884
25.19275684 -1.57203204 -8.45814673
0.00024472 0.00006921 -0.00034236
-0.00527209 0.01814709 -0.00375596
9.31390713 -15.78898574 -7.66419670
0.00086062 0.00082324 -0.00008325
0.00336996 0.00915982 0.00113510
9.03324259 -12.86180204 -6.93745156
0.00055961 -0.00031792 0.00051018
-0.00457946 0.00116740 0.00426852
-5.91425482 -11.13198633 18.09770418
-0.00054198 -0.00065114 0.00005921
-0.00702568 -0.02115700 -0.01255692
-7.27366276 -11.37591101 15.57524117
0.00046203 -0.00030510 -0.00004879
0.00014311 -0.00016472 -0.00421087
8.49217690 1.50556766 -29.32135437
-0.00017978 0.00013477 0.00025393
-0.00013999 0.02188175 -0.00418827
6.42634451 3.35634743 -30.10864230
-0.00091261 0.00056824 0.00088694
-0.01893537 -0.00517378 -0.01312940
12.59140852 15.46028276 14.52064700
0.00076564 0.00046400 0.00056143
-0.00440080 -0.01172295 0.00594887
11.09345025 15.86918662 17.19944526
0.00038332 -0.00002577 0.00047104
-0.00106110 -0.00775749 -0.03944656
29.37975242 4.82817694 -4.36164064
-0.00057443 0.00004592 -0.00015907
-0.00303767 -0.00068240 -0.00732716
26.94640600 6.41984063 -3.83546319
-0.00009527 -0.00026351 -0.00061236
-0.01636264 0.00470380 -0.00503055
-9.94197301 4.84853548 6.73798366
0.00001035 -0.00001363 -0.00024420
-0.00261203 0.01111179 -0.00026783
-8.71301595 13.30708916 2.59635439
-0.00007401 0.00006978 -0.00000016
-0.00347087 0.00065106 -0.00167764
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09431090
0.29202632
389.11042537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.166 s
total exchange = -52.3527705398 (a.u.)
total exchange computation time: 2.6534121037 s
-154.0505040269
-931.38900001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.166 s
total exchange = -52.3526919838 (a.u.)
total exchange computation time: 2.6526770592 s
-154.0523631812
Anderson extrapolation: theta=1.3534200208 (1.3534200208)
-931.38925259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.166 s
total exchange = -52.3525166802 (a.u.)
total exchange computation time: 2.6518378258 s
-154.0554935839
Anderson extrapolation: theta=0.0579988673 (0.0579988673)
-931.38940730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.166 s
total exchange = -52.3524463600 (a.u.)
total exchange computation time: 2.6529901028 s
-154.0562399008
Anderson extrapolation: theta=2.1299386294 (2.0000000000)
-931.38941464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.165 s
total exchange = -52.3522812263 (a.u.)
total exchange computation time: 2.6533019543 s
-154.0578865900
Anderson extrapolation: theta=0.3141967570 (0.3141967570)
-931.38942366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.164 s
total exchange = -52.3522224258 (a.u.)
total exchange computation time: 2.6524639130 s
-154.0584026025
Anderson extrapolation: theta=1.4554531877 (1.4554531877)
-931.38942591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.163 s
total exchange = -52.3521510731 (a.u.)
total exchange computation time: 2.6520249844 s
-154.0589760813
Anderson extrapolation: theta=0.3927870818 (0.3927870818)
-931.38942826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.165 s
total exchange = -52.3521395777 (a.u.)
total exchange computation time: 2.6532630920 s
-154.0590186174
Anderson extrapolation: theta=1.0292249493 (1.0292249493)
-931.38942901
-115.928125 66.834923 142.409583
559.604241 1031.346894 -411.412895
443.676116 1098.181816 -269.003311
1214.584118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.166 s
total exchange = -52.3521408724 (a.u.)
total exchange computation time: 2.6526281834 s
678.69583791
-1083.05761365
89.80784634
-389.66505509
-174.81830412
77.91327706
551.60419304
0.00000000
-931.38942950
3.96926690 -30.86612465 -2.27587130
0.00013363 -0.00041213 0.00002871
-0.00467434 -0.01263866 0.01146739
-11.53858105 -1.81953216 -9.24007883
0.00015559 0.00038368 -0.00012628
-0.01853935 -0.00745414 -0.00801567
-37.47973580 2.45402302 0.12550943
-0.00010920 -0.00001457 0.00019021
0.00384365 0.02359507 -0.02549675
-11.72199772 -4.12003282 3.86466022
-0.00003187 -0.00021578 0.00011372
0.04721225 -0.00172201 -0.00218912
4.27505871 -3.95990467 9.23387903
-0.00028887 -0.00014559 -0.00032143
0.02294094 0.03281960 -0.01114710
-32.10481627 -0.47630109 -0.41394590
-0.00045548 0.00031178 0.00025982
-0.00606804 -0.00054090 0.01278161
14.51975939 12.59483702 -13.83241428
-0.00032691 -0.00014615 0.00041210
0.05028417 -0.02062097 0.06891518
-7.70980506 6.04590157 2.56907565
-0.00003725 0.00000896 0.00005638
0.00698501 -0.02372491 0.00425375
7.57411708 12.54820928 -5.84043366
-0.00003946 -0.00016303 -0.00033705
-0.03449221 -0.01952058 -0.00117189
8.84545754 9.88687803 -18.95445694
-0.00006491 0.00010811 0.00004288
0.00681449 -0.00117885 -0.03498387
23.33523480 17.31029865 -2.19113626
-0.00024170 0.00011793 -0.00008389
-0.01860654 0.02469629 0.00484857
2.19931495 16.85756447 -19.59013083
-0.00016402 -0.00017539 -0.00013294
0.02093948 0.00007750 0.06546765
14.02349976 -1.18904300 -5.62525582
0.00006556 0.00024428 -0.00032362
-0.00690133 0.00152029 0.02866224
-16.05633363 -1.43129790 3.20152539
0.00006127 0.00016876 0.00008034
-0.02959222 -0.02737835 -0.00518306
-16.68091516 -1.93551460 19.00174558
0.00052273 -0.00022750 -0.00041949
0.02523633 -0.01800780 0.02331749
0.39969599 2.02925364 -4.93815068
0.00000498 0.00010526 0.00018245
0.00818172 -0.01370340 0.00243433
22.60113829 -7.13570156 -8.85897375
0.00023662 0.00006736 0.00009388
0.02167117 -0.01768911 -0.00698158
-0.66648883 -6.36308566 7.23659044
-0.00014636 0.00018746 -0.00000564
-0.00969506 -0.00696013 0.01679821
-1.75108521 -1.40484093 -19.33967325
0.00003098 0.00002715 -0.00005967
-0.03790187 0.04619826 -0.01138849
3.22400828 1.97503530 -9.29529525
-0.00001000 -0.00039123 0.00003345
0.01870333 -0.01161629 -0.03636494
-3.86550265 17.82732059 12.31209689
-0.00009506 -0.00015993 0.00006651
0.04643111 -0.02085495 -0.00921381
-3.85897027 4.97928637 -11.07658696
0.00005176 0.00003683 0.00004929
0.02124270 0.01254496 0.03263512
-7.97191015 2.95684252 -8.98910870
0.00007913 -0.00030646 0.00004021
-0.05890326 -0.02258641 0.03467479
2.26914963 27.43532958 8.62176538
0.00027656 0.00013138 0.00014199
0.02438434 -0.00310695 -0.02605779
9.78568907 -6.21723392 -1.84891837
-0.00030672 -0.00005386 0.00010848
-0.00581546 0.01969986 -0.01191812
-8.73611415 0.77932737 6.01054888
0.00006786 0.00017355 0.00001530
-0.04490531 -0.01306861 -0.00219037
20.34512646 10.81408818 8.87204985
-0.00003590 0.00000315 -0.00006726
0.01408850 -0.02750959 0.00509051
-2.25711929 -2.11517249 -27.28655166
0.00031884 -0.00003459 -0.00020137
-0.00682348 -0.03916401 0.01071228
-14.33184721 6.17324300 7.71538884
-0.00002264 0.00008410 0.00026872
0.01033276 -0.01744855 0.00103516
-9.57567040 7.29278785 -2.50130077
0.00009154 0.00006299 0.00016011
-0.01735664 0.00274315 -0.00562062
-1.80051892 -15.52267497 23.58720784
-0.00002691 0.00029012 -0.00039451
0.07694269 0.01659043 -0.01327331
-2.67042501 6.31238794 -6.27892528
-0.00018657 0.00010228 0.00009078
0.00112439 0.00391408 0.02068336
-20.05883728 30.97064521 4.26023043
-0.00003142 -0.00045692 -0.00031363
-0.04499893 -0.03726131 -0.00002494
7.60547929 0.17130417 7.80496352
0.00006734 0.00039581 -0.00037436
0.01310436 -0.00617288 0.02968317
5.71054950 11.53595484 -13.64028640
0.00023051 0.00013388 0.00041812
-0.06122244 -0.02442306 -0.03316527
15.53980172 2.83474312 -1.90707144
-0.00010532 -0.00021850 0.00018235
0.00578105 -0.02204253 0.00536244
-4.35990794 13.45760085 -0.90843150
-0.00014260 -0.00032917 0.00028941
0.01257949 -0.01296797 0.01671774
4.62916572 12.42294528 3.07209743
0.00014714 0.00001836 -0.00041453
-0.03602915 -0.00937037 0.00033970
25.00540171 -11.64892616 -9.77557809
0.00012313 0.00019944 -0.00027719
0.01297760 0.01271339 -0.02551704
16.54489095 -3.74357685 -0.53674291
0.00031493 0.00018409 -0.00025456
0.00768523 -0.02290444 -0.00517717
13.00787030 7.96100981 10.06827166
0.00024284 0.00003012 0.00002718
0.01449414 0.00839960 -0.00321907
1.58965313 -13.99286979 17.64937405
-0.00008873 -0.00017247 -0.00008763
0.01198801 0.02092048 0.00328390
-4.13768323 -0.71022927 -14.27648358
0.00043072 -0.00005154 0.00037741
0.01590538 -0.02353116 -0.00681480
15.10309260 -7.72334944 -8.91396204
-0.00000658 0.00046996 0.00028001
0.00194559 0.00651782 -0.02997356
8.48335764 -6.95900883 8.79755194
-0.00030724 -0.00015066 0.00018289
0.02453887 0.02490565 -0.02844981
-21.22088368 2.29477586 22.72078135
0.00017115 -0.00007165 -0.00001643
0.00235237 0.00252775 0.03823365
25.70407680 -3.25258954 -8.02171130
-0.00010019 -0.00005855 -0.00021821
0.01538596 -0.00857635 0.00741968
9.84514354 -14.05505787 -8.05167539
0.00006229 0.00013204 -0.00047366
0.00575949 -0.00201881 -0.00694273
-6.66323115 -12.44247897 16.94060555
-0.00025788 -0.00007813 0.00017306
0.02462002 0.03560124 0.00560061
8.06074916 3.32195987 -29.36156928
-0.00036239 -0.00047599 0.00003299
0.01522303 -0.02109732 0.00835955
10.85100474 15.37817529 15.34264969
0.00003656 -0.00001413 0.00003663
0.03086179 0.03961876 0.02749302
28.63579902 6.10732073 -3.27809724
0.00022426 0.00019958 -0.00023099
0.01152704 0.00666999 0.01486797
5.45610533 -31.25848473 -3.23551865
-0.00001097 -0.00043822 -0.00043934
0.00804282 -0.00624486 -0.01317417
4.25841049 -31.54640738 -0.58888884
0.00081383 0.00053403 0.00064813
-0.00106466 0.00214742 0.00412034
-11.66066720 -3.61107650 -8.66640905
-0.00020985 0.00039629 -0.00007281
-0.00526500 0.01931714 -0.01235133
-12.62669689 -1.50101592 -10.73074406
0.00038149 0.00094395 0.00002882
0.01388220 -0.01083820 0.01885322
-39.03446321 2.00915969 0.90795175
0.00040230 -0.00004263 -0.00006439
-0.01253290 -0.00336086 0.01224636
-37.93225631 3.98814838 -0.93653321
-0.00004961 -0.00088936 0.00040154
0.00916201 -0.01971270 0.01332283
-10.47828608 -5.58911722 3.59397764
-0.00022212 0.00060533 -0.00016721
-0.02534105 0.01537269 0.00159564
-10.53972081 -2.68259790 3.61496193
-0.00049019 -0.00006497 0.00006610
-0.01564159 -0.01427298 0.00487338
4.99253483 -2.43267683 8.30851153
-0.00070490 0.00044074 -0.00011167
-0.01572322 -0.02800781 0.02163824
4.68153805 -3.58593966 11.02312265
-0.00078307 0.00005898 -0.00011045
-0.00995961 -0.00298195 -0.00982616
-33.40937047 -1.72021089 -0.65075768
-0.00038352 0.00024023 0.00058605
-0.00909918 0.00265146 0.00767878
-32.64675746 0.73574091 0.89524660
-0.00033113 0.00110542 0.00096874
-0.00077074 -0.01308980 -0.01895644
14.51980566 12.60697169 -15.56490592
-0.00075264 -0.00005726 -0.00053489
-0.01160382 0.00570410 -0.06585161
16.30777456 11.97848702 -13.49548737
-0.00083581 0.00076944 -0.00015804
-0.03087099 0.01547074 -0.00197659
-8.74993856 7.20164300 1.62705988
0.00036211 -0.00005090 0.00044176
0.00071785 0.00088402 -0.00954902
-7.41599714 4.59369078 1.40340747
-0.00017883 0.00146540 0.00047809
-0.00457700 0.02024684 0.00356953
6.10944021 12.30824413 -6.94542891
-0.00045840 -0.00003652 -0.00044472
0.01033777 0.00245006 0.00654217
8.79689666 13.65701864 -6.74818961
-0.00039712 -0.00047889 0.00065499
0.00694494 0.00124274 -0.00188936
8.47405568 8.85723198 -20.46757407
0.00019308 0.00018584 0.00027741
0.00334073 0.00633689 0.01724515
9.97268167 11.20857801 -19.67560172
-0.00060327 -0.00037778 -0.00052159
0.00162313 -0.01406203 0.01454112
23.70439783 15.59074758 -2.57761689
0.00030918 -0.00060544 -0.00029019
0.01474042 -0.01248278 -0.00748484
24.95823221 18.21195513 -2.24538196
-0.00030836 0.00013580 0.00015034
-0.00811655 -0.00070943 -0.00823597
1.55717816 16.80065235 -21.23645370
0.00074012 0.00028389 -0.00063262
-0.01084134 -0.00515333 -0.04177076
3.20697576 15.31325008 -19.15353081
0.00073285 0.00109293 -0.00081399
-0.00800170 0.00818999 -0.01341983
12.60604652 -0.59304165 -6.61177880
-0.00088765 -0.00052852 0.00039415
-0.00229261 -0.01017166 -0.01360624
13.33423753 -1.14911911 -3.89642575
-0.00015870 0.00071020 -0.00048564
0.00834418 -0.00055325 -0.01584768
-17.49439368 -2.62140930 2.68181684
-0.00080062 0.00120580 -0.00106975
0.02975685 0.01878222 0.01791994
-14.59828832 -2.50889751 3.55658506
0.00015177 0.00042422 -0.00059477
-0.00533156 -0.00733679 -0.01086435
-16.40311707 -0.50030919 20.19883596
-0.00094761 -0.00029713 0.00043716
0.00171651 -0.00976183 -0.01244708
-15.41648220 -3.25184796 19.52487510
0.00046325 -0.00045221 0.00047452
-0.01931657 0.02656853 -0.00519879
-0.70241371 0.48399538 -5.04059981
0.00060317 -0.00103941 0.00049473
0.00627708 0.01248363 0.00099246
-0.67386766 3.47461996 -4.99509294
0.00052005 -0.00013957 0.00010269
-0.01579569 0.00835956 0.00084127
23.56518898 -8.74240366 -9.15310356
0.00006919 0.00076014 0.00038919
-0.02011923 0.00734220 -0.00057952
24.02338814 -5.96013654 -8.76001541
0.00028192 -0.00070381 -0.00006161
-0.01107521 0.01008038 0.00652481
0.27551318 -6.04947847 5.71776363
-0.00046386 -0.00063514 -0.00018343
0.00995410 0.00535448 -0.00402648
0.25203391 -5.66849499 8.67792207
0.00068976 -0.00155427 0.00012386
0.00298961 -0.00187060 -0.01356838
-0.74557821 -2.77272981 -18.92259505
0.00048565 0.00028021 -0.00078395
0.02208293 -0.04127588 0.00221829
-3.04095163 -1.80829002 -20.63099826
0.00040292 0.00020483 0.00035523
0.01125216 -0.00918318 0.01137706
2.58023872 2.41098689 -10.99138221
-0.00035406 0.00103500 -0.00019219
0.00784543 0.00336882 0.01885693
2.21004141 2.68395586 -8.00835508
0.00001097 -0.00057335 0.00053447
-0.02421352 0.00427666 0.02024137
-2.28904722 16.64118145 12.41029900
0.00066604 0.00008145 -0.00000189
-0.02745550 0.02412607 0.00194679
-3.45848442 19.13075988 13.54970704
-0.00008637 -0.00140550 0.00036745
-0.00410539 -0.00557537 0.00251779
-4.89117264 6.30646481 -11.65835952
-0.00142932 0.00091137 0.00140090
-0.01886572 0.01892702 -0.01178078
-3.63689134 3.82361306 -12.37457721
-0.00079948 -0.00100292 -0.00045386
0.00412616 -0.02974597 -0.03227964
-7.78687506 2.09516048 -7.35246488
0.00062962 0.00005728 -0.00017185
0.00019644 0.00630287 -0.01766655
-6.35739001 3.41911838 -9.38726883
0.00007425 -0.00049148 0.00027632
0.05601637 0.01752628 -0.01544585
2.68716502 28.28418017 6.99428127
0.00069226 -0.00044752 0.00054573
-0.01138249 -0.01326943 0.02402314
0.76373530 28.13979391 9.25417656
0.00061297 0.00083906 0.00009449
-0.01970048 0.01167400 0.00279256
10.62638311 -7.44029754 -0.83833215
0.00028057 -0.00033359 0.00020185
0.01187664 -0.01113591 0.01624755
8.64926039 -7.16085122 -2.90309123
-0.00041392 0.00028388 -0.00023831
-0.00742747 -0.00823502 -0.00117721
-6.98408816 0.60677837 6.32857242
0.00002448 0.00000128 0.00056419
0.02295886 -0.01518158 0.01321105
-9.61140702 -0.60061823 6.93374252
-0.00065683 0.00014497 0.00075501
0.01704358 0.02131302 -0.00815351
21.77717522 10.13145124 9.84755850
-0.00010391 0.00051920 0.00028308
-0.01468887 0.00899092 0.00123127
21.00915605 12.38249492 8.26004042
0.00009349 0.00089833 0.00002702
0.00041384 0.02371251 -0.00615330
-1.48877379 -3.70957147 -26.49992202
0.00045044 0.00041056 -0.00018888
-0.00736918 0.03869230 -0.01225855
-4.04802486 -2.17013371 -26.81687279
0.00134301 0.00018595 -0.00031479
0.01100924 0.00277852 0.00017324
-13.93534712 7.16671690 9.19897164
0.00047713 -0.00010165 0.00016196
-0.00602731 0.00530418 -0.00661818
-15.46230738 7.10269165 6.63902223
-0.00017826 -0.00019674 0.00076832
0.00579759 0.00769460 0.00696207
-11.28433180 7.39291854 -3.20009569
-0.00003724 0.00073264 0.00134005
0.01271077 -0.00155230 0.00616929
-8.50952422 8.32048208 -3.69596718
0.00083777 -0.00014515 0.00040256
-0.01343801 -0.01078193 0.01154777
-1.13097450 -17.20653562 23.29809659
0.00092655 0.00067366 -0.00065926
0.00627009 -0.00832366 -0.00467979
-3.43874977 -15.68646145 24.03667484
-0.00094638 0.00065007 -0.00052831
-0.07472057 -0.00456352 0.02061813
-2.30027455 6.10541196 -8.02333953
0.00061503 0.00066156 0.00052778
-0.00561941 -0.00319131 -0.01796586
-4.17156652 7.36629944 -6.13623755
-0.00015423 -0.00153427 0.00052195
-0.00088947 -0.00067488 0.00016605
-21.34393192 30.15291188 3.05286544
-0.00039281 -0.00140940 -0.00016709
0.01569946 0.00913000 0.00733841
-21.22896048 31.39430160 5.62220456
-0.00016754 -0.00086767 0.00112014
0.00419022 0.00624794 -0.00131604
7.11712564 -0.26475709 6.11890987
-0.00019709 -0.00088275 -0.00067769
-0.00961440 0.00883968 -0.01995864
7.67115542 1.97242732 8.04604566
0.00021249 0.00004110 0.00023790
-0.00782091 0.00497404 -0.00660454
7.06022072 12.68052587 -14.13911237
0.00021989 0.00000311 -0.00002455
0.00741415 0.01408315 0.00789908
4.29677657 11.81745950 -14.94529862
-0.00023225 -0.00006220 -0.00039194
0.04404970 -0.00320871 0.03411029
14.47343030 3.72394059 -3.09850474
-0.00021254 -0.00017146 0.00031649
-0.00141037 0.00015540 0.00674151
15.03493438 1.01806912 -1.92739413
-0.00039478 -0.00027067 -0.00018212
0.00769930 0.03695660 -0.00014691
-2.61698568 13.21913923 -0.36295639
-0.00012070 -0.00046791 -0.00026937
-0.00657458 0.00045773 -0.00799770
-5.31449593 12.86419992 0.60634204
-0.00053822 0.00027697 0.00015181
-0.00261531 0.00816304 -0.01522307
3.72694849 10.68522990 3.56426541
-0.00062504 -0.00018426 0.00006680
0.00918772 0.03936911 -0.01485640
6.36342162 11.95823490 3.09271125
0.00044462 -0.00076887 -0.00072366
0.02375191 -0.00573519 0.00416446
25.14822387 -12.69506331 -8.30077769
0.00010423 0.00077031 0.00026963
0.00728782 -0.00915341 0.00157391
26.50929214 -11.55183616 -11.04378286
0.00095652 -0.00035014 -0.00031426
-0.02183814 -0.00359364 0.02458120
14.70486447 -3.86465242 -0.58181060
-0.00026673 0.00063910 0.00106731
0.01720542 -0.00059324 0.00447184
17.23040783 -5.54265035 -0.69862152
-0.00015188 0.00017021 0.00040334
-0.01893117 0.02763215 0.00201486
12.42355821 8.04530225 11.80241402
-0.00005900 0.00025558 0.00107484
-0.00889385 -0.00705605 0.00345812
13.44649259 9.73143351 9.69188609
0.00026567 0.00018363 0.00097355
-0.00598735 -0.00864485 -0.00844957
-0.13152421 -14.44956372 17.21249155
0.00045508 -0.00086296 0.00007092
-0.00915980 -0.00950071 -0.00400127
1.41707313 -12.27274361 18.28063465
0.00014312 0.00032390 0.00036628
0.00820002 -0.00787956 -0.00017837
-3.79908873 -2.41519803 -13.53443959
-0.00025358 0.00041980 0.00034259
-0.00985729 0.02480168 -0.00068587
-3.32007151 -0.88424792 -15.93231407
0.00027557 -0.00087161 -0.00108212
-0.00045287 0.00296005 0.00460022
14.26179426 -8.21610395 -10.51556911
0.00080407 -0.00022421 -0.00109422
0.01128712 0.00488754 0.01443988
16.45314166 -6.37444082 -9.52395852
-0.00033485 0.00002098 -0.00025526
-0.02391427 -0.01351019 0.02085290
7.02629983 -5.80453774 8.96516590
-0.00038558 -0.00113168 -0.00057342
-0.00021608 -0.00544842 -0.00150663
9.45089052 -6.21898299 7.35200177
0.00035940 -0.00135702 0.00073578
-0.01243354 -0.00905134 0.02397605
-21.62736783 1.99626064 20.99894917
-0.00050817 0.00039823 0.00074302
-0.00362581 -0.00834043 -0.02358078
-22.00259585 0.96552497 23.80546299
-0.00064555 0.00090935 0.00103538
0.00243876 0.00840460 -0.01822181
26.68441126 -3.00529919 -6.48737600
0.00008409 0.00016224 -0.00056936
-0.00401559 0.00122503 -0.00056002
25.19626603 -1.57043774 -8.46339717
0.00022320 0.00014236 -0.00035795
-0.00526153 0.01765678 -0.00387763
9.32691966 -15.77635640 -7.66541064
0.00087125 0.00084923 -0.00007659
0.00183545 0.00355894 0.00212261
9.04149648 -12.86653506 -6.92966807
0.00054201 -0.00031334 0.00052619
-0.00403898 0.00107580 0.00357003
-5.92259974 -11.14240180 18.09820761
-0.00056763 -0.00073223 0.00001214
-0.00553436 -0.01853784 -0.01048527
-7.26672791 -11.38049252 15.57438024
0.00046126 -0.00030411 -0.00006785
-0.00052286 0.00064886 -0.00511517
8.48947585 1.50825980 -29.31767380
-0.00018071 0.00021676 0.00023610
-0.00031284 0.01825316 -0.00453943
6.41207508 3.36471249 -30.09574047
-0.00098561 0.00054487 0.00083458
-0.01679659 -0.00626462 -0.01250071
12.60275831 15.46688353 14.52925071
0.00074342 0.00041516 0.00058532
-0.00647935 -0.01218660 0.00574846
11.09916749 15.86856242 17.20530216
0.00037730 -0.00005828 0.00030616
-0.00188642 -0.00816055 -0.04126750
29.37104295 4.82884478 -4.36425116
-0.00058336 0.00004025 -0.00019047
-0.00133603 -0.00209315 -0.00804553
26.94447548 6.41603205 -3.84480275
-0.00015684 -0.00024422 -0.00062987
-0.01377539 0.00474105 -0.00354024
-9.94182477 4.84836087 6.73431995
0.00000942 -0.00000963 -0.00024427
-0.00260277 0.01120682 -0.00011928
-8.71413217 13.30813693 2.59634905
-0.00007481 0.00006991 -0.00000054
-0.00337696 0.00050579 -0.00161465
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09478458
0.29464492
392.59957914
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3504220924 (a.u.)
total exchange computation time: 2.5760970116 s
-154.0498742241
-931.39240299
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3504669407 (a.u.)
total exchange computation time: 2.5776858330 s
-154.0508942541
Anderson extrapolation: theta=1.3677795497 (1.3677795497)
-931.39264907
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3504851765 (a.u.)
total exchange computation time: 2.5767951012 s
-154.0527235935
Anderson extrapolation: theta=0.0615430840 (0.0615430840)
-931.39280259
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3504475711 (a.u.)
total exchange computation time: 2.5779411793 s
-154.0532469764
Anderson extrapolation: theta=2.1832585006 (2.0000000000)
-931.39281038
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3503585996 (a.u.)
total exchange computation time: 2.5762929916 s
-154.0543633556
Anderson extrapolation: theta=0.3333295643 (0.3333295643)
-931.39282002
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3503290942 (a.u.)
total exchange computation time: 2.5772230625 s
-154.0546750219
Anderson extrapolation: theta=1.2607741893 (1.2607741893)
-931.39282234
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3503060210 (a.u.)
total exchange computation time: 2.5753319263 s
-154.0548882271
Anderson extrapolation: theta=0.4109069990 (0.4109069990)
-931.39282436
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3503114191 (a.u.)
total exchange computation time: 2.5767140388 s
-154.0548036415
Anderson extrapolation: theta=0.9196671867 (0.9196671867)
-931.39282498
-115.978257 66.812094 142.385774
559.606646 1031.349690 -411.355653
443.628390 1098.161784 -268.969878
1214.541167
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3503272506 (a.u.)
total exchange computation time: 2.5774078369 s
678.67327896
-1082.99575984
89.80256404
-389.70866577
-174.81391545
77.87853332
551.60419304
0.00000000
-931.39282530
3.97125329 -30.87235539 -2.27539643
0.00013147 -0.00041877 0.00003487
-0.00372407 -0.01315593 0.01248711
-11.53631869 -1.81380566 -9.24200393
0.00014630 0.00037983 -0.00013008
-0.01759981 -0.00754814 -0.00676323
-37.48135896 2.45389555 0.12826425
-0.00010608 -0.00000301 0.00017720
0.00827286 0.02132237 -0.02508768
-11.72229359 -4.12327622 3.86635760
-0.00000836 -0.00021615 0.00011268
0.04420456 0.00028689 -0.00185453
4.27081419 -3.96196194 9.22901454
-0.00027710 -0.00012849 -0.00032705
0.02283353 0.03368869 -0.01070561
-32.11167183 -0.47162641 -0.40999927
-0.00045886 0.00031259 0.00026747
-0.00708511 0.00369037 0.01696169
14.51504973 12.59256521 -13.82596702
-0.00030225 -0.00015616 0.00044438
0.04560842 -0.01831808 0.05662524
-7.71033685 6.04594442 2.56993781
-0.00003355 -0.00000199 0.00006027
0.00741284 -0.01885469 0.01085641
7.57339214 12.54568851 -5.84549389
-0.00005852 -0.00017392 -0.00033727
-0.03960931 -0.02280544 0.00028703
8.84451024 9.88849517 -18.95394865
-0.00006161 0.00010730 0.00002539
0.00599257 -0.00198967 -0.03303284
23.33153756 17.31216289 -2.19237590
-0.00025090 0.00012886 -0.00008172
-0.01718858 0.01779567 0.00358524
2.19693541 16.85493395 -19.59187241
-0.00015402 -0.00017444 -0.00010010
0.01794725 0.00360293 0.06224911
14.02445649 -1.18537290 -5.62999955
0.00006163 0.00024521 -0.00030902
-0.00835523 0.00208702 0.02810451
-16.05552866 -1.42887214 3.20271053
0.00004550 0.00015510 0.00007742
-0.03175144 -0.02574696 -0.00619514
-16.67297681 -1.93899653 18.99554321
0.00053588 -0.00023672 -0.00040699
0.02586678 -0.01783616 0.02528806
0.39980226 2.03077966 -4.93540453
0.00000973 0.00009682 0.00018374
0.01027051 -0.01910329 0.00258902
22.60477123 -7.13475940 -8.85759245
0.00024680 0.00005865 0.00009043
0.01792152 -0.01617896 -0.00644150
-0.66872156 -6.36030053 7.23657057
-0.00015172 0.00018360 0.00000306
-0.01115334 -0.00808380 0.01703350
-1.75076672 -1.40425542 -19.34061228
0.00001209 0.00005099 -0.00006467
-0.03556158 0.04649773 -0.00804032
3.22393040 1.96912200 -9.29493371
-0.00000124 -0.00039651 0.00001437
0.01538895 -0.00892099 -0.03784258
-3.86674951 17.82484116 12.31305905
-0.00007082 -0.00017164 0.00006106
0.04783540 -0.02467662 -0.01198444
-3.85811192 4.97988726 -11.07572173
0.00006184 0.00004344 0.00006369
0.01795939 0.01315188 0.02337768
-7.97095047 2.95215854 -8.98837178
0.00004907 -0.00031770 0.00005755
-0.05798859 -0.02112002 0.03273590
2.27339207 27.43728824 8.62379465
0.00028880 0.00012934 0.00012942
0.02323194 -0.00483013 -0.02279228
9.78106581 -6.21796582 -1.84733720
-0.00030928 -0.00004452 0.00010295
-0.00413601 0.01663753 -0.00955947
-8.73526950 0.78188020 6.01076987
0.00004454 0.00016605 0.00001475
-0.04575897 -0.01610071 0.00007450
20.34464237 10.81402934 8.87106062
-0.00002814 -0.00000944 -0.00006530
0.01605496 -0.02144311 0.00253612
-2.25236308 -2.11584241 -27.28953086
0.00031709 -0.00005425 -0.00019652
0.00002214 -0.03728872 0.00814012
-14.33214693 6.17443725 7.71942356
-0.00001687 0.00007468 0.00026952
0.01209377 -0.01918577 0.00208524
-9.57436425 7.29374323 -2.49892076
0.00008329 0.00006432 0.00015767
-0.01473225 0.00244283 -0.00386274
-1.80062577 -15.51825913 23.58123901
0.00001020 0.00029854 -0.00040059
0.06735474 0.01613038 -0.01038535
-2.67321925 6.31393729 -6.27748376
-0.00018466 0.00010329 0.00010196
0.00630956 0.00000681 0.02277973
-20.05948214 30.96364762 4.25552591
-0.00005575 -0.00047583 -0.00031251
-0.04960791 -0.03625166 0.00436997
7.60653989 0.17721744 7.79946263
0.00007379 0.00039154 -0.00036018
0.01198978 -0.01043249 0.02544597
5.71377106 11.53786890 -13.63414254
0.00019843 0.00012141 0.00040037
-0.06353267 -0.02407259 -0.03587102
15.53824420 2.83138067 -1.90431546
-0.00010243 -0.00022991 0.00018499
0.00545246 -0.02233762 0.00490933
-4.36199836 13.45261331 -0.90402589
-0.00013636 -0.00033563 0.00029760
0.01168477 -0.01216287 0.01512083
4.63123378 12.42318457 3.06588086
0.00012944 0.00001300 -0.00041421
-0.03277604 -0.01148945 0.00090562
25.00729867 -11.64588554 -9.77983439
0.00013033 0.00020572 -0.00029035
0.01501659 0.01170213 -0.02565261
16.54964454 -3.74090380 -0.54058124
0.00031784 0.00017260 -0.00025707
0.00364212 -0.02180226 -0.00457964
13.01156885 7.96149407 10.06866690
0.00024975 0.00003448 0.00002762
0.01235386 0.00854841 0.00495300
1.58836838 -13.99537616 17.64807219
-0.00008183 -0.00016069 -0.00008544
0.01485615 0.02487538 0.00523218
-4.13116107 -0.71109307 -14.27084874
0.00043954 -0.00006290 0.00037150
0.01838354 -0.02067953 -0.01616242
15.10300136 -7.71627490 -8.90987759
-0.00000635 0.00047260 0.00026319
-0.00104621 0.00373121 -0.03543383
8.47884373 -6.96117269 8.80018558
-0.00029419 -0.00013906 0.00016892
0.02620051 0.02019515 -0.02589705
-21.21830738 2.29371092 22.72068234
0.00017257 -0.00007024 0.00000484
0.00316953 0.00293945 0.04447355
25.70263326 -3.25350090 -8.02495589
-0.00009253 -0.00006263 -0.00021469
0.01440367 -0.00727172 0.00630319
9.84610005 -14.05308503 -8.05880711
0.00006544 0.00013253 -0.00047729
0.00652318 0.00393013 -0.00718135
-6.66700443 -12.44351356 16.94322311
-0.00024551 -0.00006077 0.00017553
0.02348332 0.03190912 0.00397617
8.05537208 3.31473859 -29.36104225
-0.00035526 -0.00048539 0.00003709
0.01248257 -0.01545024 0.00759290
10.85167225 15.37811613 15.34330526
0.00005304 0.00000638 0.00005105
0.03322539 0.04013967 0.02854659
28.63920736 6.11034012 -3.28150480
0.00022905 0.00020336 -0.00022358
0.00712098 0.00803752 0.01395784
5.45618718 -31.26524932 -3.24251251
0.00001995 -0.00046319 -0.00049126
0.00709342 -0.00598158 -0.01223833
4.27058527 -31.53833106 -0.57904057
0.00080868 0.00054374 0.00066120
-0.00145393 0.00260567 0.00227658
-11.66397632 -3.60454023 -8.66787971
-0.00023134 0.00047477 -0.00012363
-0.00525479 0.01909875 -0.01252547
-12.62054909 -1.48718874 -10.72973400
0.00043611 0.00089953 0.00010370
0.01285294 -0.01090650 0.01779995
-39.02881274 2.00841721 0.90736113
0.00034368 -0.00005865 -0.00001009
-0.01616386 -0.00448060 0.01433267
-37.93271976 3.97420395 -0.93010189
-0.00001380 -0.00096239 0.00045108
0.00836930 -0.01603908 0.01092686
-10.48239447 -5.57956623 3.59151846
-0.00032167 0.00066249 -0.00016123
-0.02338687 0.01260938 0.00132944
-10.54755291 -2.68400987 3.61610270
-0.00055215 -0.00012095 0.00008585
-0.01469061 -0.01312660 0.00479688
4.98147950 -2.42692394 8.30749957
-0.00076906 0.00032457 -0.00002287
-0.01568248 -0.02885696 0.02183009
4.66948684 -3.58514631 11.02116476
-0.00082342 0.00004615 -0.00015201
-0.00979505 -0.00329735 -0.01051571
-33.41540208 -1.71652624 -0.64173168
-0.00042144 0.00025098 0.00061739
-0.00946565 0.00261076 0.00766373
-32.65174799 0.75192107 0.90919687
-0.00033103 0.00104320 0.00088246
0.00081689 -0.01736685 -0.02328016
14.50816048 12.60628757 -15.57494714
-0.00080042 -0.00003407 -0.00078111
-0.01178479 0.00564918 -0.05467535
16.29429147 11.99050265 -13.49791848
-0.00095197 0.00082855 -0.00016418
-0.02599295 0.01346521 -0.00103029
-8.74448486 7.20090662 1.63339360
0.00036081 -0.00004176 0.00039962
-0.00135694 0.00358829 -0.01107657
-7.41881982 4.61629223 1.41068819
-0.00019424 0.00153264 0.00048230
-0.00296869 0.01266907 -0.00151044
6.10288105 12.30777134 -6.95189931
-0.00041147 -0.00002562 -0.00041573
0.01263515 0.00288694 0.00765303
8.79115262 13.64987332 -6.73842270
-0.00036306 -0.00046812 0.00064137
0.00973119 0.00402861 -0.00477807
8.47705422 8.86021374 -20.46288442
0.00020481 0.00020803 0.00034466
0.00240110 0.00452583 0.01567473
9.96368234 11.20248035 -19.68298005
-0.00059258 -0.00043014 -0.00046306
0.00360889 -0.01156919 0.01411187
23.70948721 15.58128352 -2.58219905
0.00036684 -0.00064324 -0.00031753
0.01348546 -0.00602166 -0.00590171
24.95335815 18.21397046 -2.24337918
-0.00034034 0.00013328 0.00011584
-0.00753798 -0.00052861 -0.00865592
1.56794773 16.80475273 -21.24722296
0.00069715 0.00026306 -0.00079960
-0.01019257 -0.00503970 -0.03996993
3.21772335 15.32989498 -19.16615193
0.00070384 0.00111930 -0.00086594
-0.00620170 0.00471977 -0.01200900
12.59266156 -0.60128109 -6.60628356
-0.00089464 -0.00056999 0.00033731
-0.00112831 -0.01013016 -0.01421429
13.33211272 -1.13848301 -3.90419600
-0.00012363 0.00070681 -0.00054772
0.00882255 -0.00110984 -0.01454175
-17.50549118 -2.60274677 2.66631964
-0.00067515 0.00128175 -0.00099413
0.03166406 0.01839489 0.01910089
-14.59617517 -2.50275907 3.54733054
0.00013083 0.00039085 -0.00063913
-0.00491556 -0.00899477 -0.01084604
-16.41727855 -0.50506529 20.20501200
-0.00093971 -0.00033990 0.00038339
0.00214871 -0.01117157 -0.01387442
-15.41012539 -3.25781704 19.53183355
0.00038235 -0.00034108 0.00045191
-0.02028340 0.02783279 -0.00586642
-0.69317383 0.46878678 -5.03314850
0.00062995 -0.00098236 0.00049845
0.00683449 0.01544207 0.00083138
-0.66655094 3.47278253 -4.99352674
0.00044971 -0.00010062 0.00010569
-0.01863842 0.01070550 0.00062669
23.56561029 -8.73077655 -9.14728339
-0.00000986 0.00078117 0.00038489
-0.01857322 0.00295147 -0.00152795
24.02727755 -5.97038482 -8.76073960
0.00024099 -0.00065663 -0.00003447
-0.00896149 0.01301624 0.00675866
0.26886037 -6.05884152 5.71488884
-0.00042152 -0.00061285 -0.00020107
0.01076769 0.00555639 -0.00460977
0.26247199 -5.69186631 8.67936417
0.00070328 -0.00155990 0.00006930
0.00362407 -0.00088489 -0.01313732
-0.73761673 -2.76979141 -18.93428633
0.00057665 0.00011222 -0.00077520
0.02245890 -0.04095659 0.00206525
-3.03456310 -1.80549895 -20.62532120
0.00044291 0.00016562 0.00039568
0.00832593 -0.01001126 0.00842533
2.57516820 2.42661507 -10.99368729
-0.00031894 0.00104596 -0.00010823
0.00934906 0.00199698 0.02224214
2.20946398 2.67548671 -7.99971780
-0.00008472 -0.00055839 0.00061339
-0.02262775 0.00304253 0.01839264
-2.27989790 16.64314250 12.41033026
0.00055001 0.00018054 0.00000505
-0.02934349 0.02438090 0.00145396
-3.45990577 19.10950655 13.55529595
-0.00010196 -0.00141984 0.00038388
-0.00352711 -0.00144683 0.00552605
-4.91319049 6.32071530 -11.63770709
-0.00149474 0.00097176 0.00135733
-0.01316159 0.01063596 -0.00954366
-3.64875718 3.80765774 -12.38237418
-0.00078722 -0.00110901 -0.00057125
0.00187997 -0.02218660 -0.02518664
-7.77742479 2.09621282 -7.35558392
0.00062890 0.00007957 -0.00023921
-0.00054782 0.00460972 -0.01530903
-6.35455980 3.41228318 -9.38359729
0.00030251 -0.00041945 0.00021210
0.05572129 0.01773325 -0.01599245
2.69720014 28.27706082 7.00320338
0.00064728 -0.00049829 0.00063750
-0.01063814 -0.01158743 0.02089990
0.77232611 28.15273756 9.25567955
0.00053299 0.00088669 0.00010575
-0.01944701 0.01163989 0.00271626
10.63095557 -7.44564256 -0.83480648
0.00032387 -0.00037301 0.00026212
0.00931908 -0.00816164 0.01325333
8.64282398 -7.15684541 -2.90670194
-0.00044236 0.00025053 -0.00024150
-0.00649201 -0.00808930 -0.00038473
-6.98301748 0.60633229 6.33744015
0.00011632 -0.00006069 0.00061808
0.02199688 -0.01514936 0.01316794
-9.62073726 -0.59779052 6.94481777
-0.00058312 0.00023800 0.00071728
0.01904196 0.02422336 -0.01031631
21.77516639 10.13951473 9.85184249
-0.00016258 0.00055508 0.00028888
-0.01402745 0.00857459 0.00160582
21.01057109 12.39669645 8.26025716
0.00009036 0.00098359 0.00000584
-0.00194384 0.01802338 -0.00421526
-1.48224303 -3.70222747 -26.50313091
0.00042168 0.00056484 -0.00023730
-0.00671036 0.03682907 -0.01144063
-4.02754241 -2.16725931 -26.82158933
0.00137286 0.00019710 -0.00031003
0.00360684 0.00268071 0.00215853
-13.92837486 7.16535471 9.20119817
0.00045261 -0.00007918 0.00013598
-0.00597424 0.00569290 -0.00609838
-15.46480363 7.09997630 6.65076038
-0.00015806 -0.00016231 0.00079356
0.00409082 0.00915971 0.00539289
-11.28450090 7.40386052 -3.17980583
0.00001137 0.00072683 0.00136235
0.01108523 -0.00129085 0.00474306
-8.49736940 8.31797450 -3.68957493
0.00078001 -0.00018940 0.00044920
-0.01483735 -0.01088279 0.01128111
-1.11688412 -17.19668572 23.28806429
0.00094894 0.00063966 -0.00067762
0.00469176 -0.00831929 -0.00430921
-3.45523511 -15.67685027 24.02938202
-0.00122860 0.00063164 -0.00045060
-0.06342971 -0.00445790 0.01742208
-2.29122128 6.11523755 -8.01597342
0.00059223 0.00064826 0.00044963
-0.00554131 -0.00331912 -0.02028469
-4.17390723 7.34326465 -6.12840324
-0.00016811 -0.00152935 0.00052266
-0.00590260 0.00308433 0.00018259
-21.34934296 30.13205062 3.05058394
-0.00032691 -0.00136834 -0.00013411
0.01655733 0.01096840 0.00880629
-21.23134512 31.38147807 5.63896630
-0.00014231 -0.00084554 0.00110293
0.00815738 0.00458382 -0.00710507
7.11387466 -0.27772740 6.10813298
-0.00023386 -0.00084162 -0.00074888
-0.00838248 0.01128952 -0.01489218
7.67410316 1.97319624 8.04941179
0.00018001 0.00006526 0.00020935
-0.00807931 0.00685124 -0.00737061
7.06374627 12.68100414 -14.13923850
0.00024976 0.00005994 0.00000828
0.00720776 0.01373237 0.00817135
4.29464265 11.81642819 -14.95013245
-0.00004743 -0.00007622 -0.00024765
0.04642233 -0.00365554 0.03651812
14.47019898 3.72137346 -3.09355074
-0.00021821 -0.00017060 0.00034385
-0.00136383 0.00026630 0.00664908
15.02924861 1.01514155 -1.93013038
-0.00036265 -0.00011919 -0.00018195
0.00802696 0.03719411 0.00023034
-2.61899764 13.21213465 -0.36724198
-0.00014641 -0.00046667 -0.00030030
-0.00600872 0.00014584 -0.00714510
-5.32264941 12.86860459 0.60815271
-0.00054809 0.00030935 0.00009121
-0.00221605 0.00768777 -0.01444334
3.71785442 10.68367244 3.56481214
-0.00058605 -0.00002183 0.00000474
0.00990011 0.04013875 -0.01552304
6.37081883 11.94652609 3.08198403
0.00053248 -0.00079069 -0.00070621
0.01925438 -0.00494436 0.00437509
25.15001063 -12.68378916 -8.29668507
0.00013334 0.00073379 0.00027432
0.00696134 -0.00872399 0.00072351
26.52297075 -11.55719841 -11.04774357
0.00086330 -0.00036366 -0.00021181
-0.02379458 -0.00302439 0.02557026
14.70139081 -3.85508408 -0.56566385
-0.00018916 0.00063689 0.00108505
0.02076189 -0.00049161 0.00421220
17.22754957 -5.53925043 -0.69250971
-0.00022821 0.00028073 0.00041078
-0.01843669 0.02646610 0.00162573
12.42240062 8.04891974 11.81864259
-0.00009088 0.00022513 0.00107394
-0.00671189 -0.00785075 -0.00389877
13.45029421 9.73392310 9.70623037
0.00024157 0.00014875 0.00093738
-0.00581315 -0.00842998 -0.00925526
-0.12497876 -14.46279931 17.21343277
0.00041254 -0.00090072 0.00005430
-0.01166082 -0.00898217 -0.00413650
1.41947128 -12.26812653 18.28612333
0.00017581 0.00028307 0.00036224
0.00780045 -0.01211009 -0.00179520
-3.80319445 -2.40814097 -13.52932183
-0.00029177 0.00051414 0.00034256
-0.00883590 0.02137842 0.00067159
-3.31595190 -0.89723139 -15.94840489
0.00026647 -0.00085797 -0.00104747
-0.00399909 0.00371888 0.01236172
14.27420119 -8.21931740 -10.53153991
0.00085311 -0.00020128 -0.00102418
0.01271837 0.00633938 0.01984699
16.44738612 -6.37454018 -9.52714840
-0.00042964 -0.00003220 -0.00016923
-0.02248806 -0.01251931 0.02125852
7.02050950 -5.82167983 8.95651836
-0.00039160 -0.00114752 -0.00057938
-0.00272807 -0.00230797 -0.00140716
9.45590049 -6.23961560 7.36377316
0.00031096 -0.00138960 0.00082835
-0.01127758 -0.00689884 0.02133998
-21.63510148 2.00197851 21.00937187
-0.00052599 0.00036184 0.00063710
-0.00509598 -0.00947453 -0.02826838
-22.01220437 0.97942282 23.82043531
-0.00063398 0.00094565 0.00095747
0.00322421 0.00936060 -0.01991396
26.68554959 -3.00282804 -6.49593359
0.00006938 0.00016697 -0.00056940
-0.00318417 0.00109062 0.00054222
25.19945276 -1.56776133 -8.46888525
0.00020213 0.00021225 -0.00037371
-0.00505058 0.01655802 -0.00383830
9.34004467 -15.76350895 -7.66649449
0.00087556 0.00085163 -0.00006573
0.00027403 -0.00238197 0.00319301
9.04950283 -12.87120214 -6.92166579
0.00052686 -0.00030942 0.00053896
-0.00337837 0.00084391 0.00267924
-5.93128384 -11.15395338 18.09806844
-0.00058658 -0.00080150 -0.00002550
-0.00374058 -0.01536740 -0.00794307
-7.25982510 -11.38503426 15.57320582
0.00045792 -0.00029995 -0.00009035
-0.00110950 0.00138749 -0.00589992
8.48675562 1.51207060 -29.31427144
-0.00018194 0.00028249 0.00021695
-0.00029081 0.01392075 -0.00483353
6.39677625 3.37269362 -30.08360476
-0.00104828 0.00051695 0.00078541
-0.01388164 -0.00740210 -0.01157120
12.61371100 15.47273743 14.53820673
0.00071303 0.00036452 0.00060817
-0.00839702 -0.01259971 0.00543306
11.10476911 15.86743809 17.20862994
0.00036812 -0.00009195 0.00013571
-0.00260307 -0.00831855 -0.04216790
29.36225160 4.82938434 -4.36735476
-0.00058554 0.00002909 -0.00022453
0.00026947 -0.00336801 -0.00862460
26.94170072 6.41251404 -3.85435928
-0.00020692 -0.00022486 -0.00064093
-0.01073545 0.00473794 -0.00187470
-9.94169049 4.84824643 6.73065560
0.00000848 -0.00000561 -0.00024428
-0.00261265 0.01130050 0.00004674
-8.71526014 13.30918646 2.59633809
-0.00007558 0.00007001 -0.00000091
-0.00329515 0.00033046 -0.00152449
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09466502
0.29816028
397.28363013
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.118 s
total exchange = -52.3500279873 (a.u.)
total exchange computation time: 2.5748720169 s
-154.0525490020
-931.39621509
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3501097106 (a.u.)
total exchange computation time: 2.5753669739 s
-154.0530908925
Anderson extrapolation: theta=1.3616357583 (1.3616357583)
-931.39644242
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3501549656 (a.u.)
total exchange computation time: 2.5783798695 s
-154.0543293265
Anderson extrapolation: theta=0.0584507559 (0.0584507559)
-931.39658286
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.119 s
total exchange = -52.3501017705 (a.u.)
total exchange computation time: 2.5754148960 s
-154.0548535698
Anderson extrapolation: theta=2.1029832305 (2.0000000000)
-931.39658957
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3499771249 (a.u.)
total exchange computation time: 2.5767180920 s
-154.0559749756
Anderson extrapolation: theta=0.2823559081 (0.2823559081)
-931.39659782
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.118 s
total exchange = -52.3499398756 (a.u.)
total exchange computation time: 2.5759520531 s
-154.0562398158
Anderson extrapolation: theta=1.4554386674 (1.4554386674)
-931.39659979
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3499022325 (a.u.)
total exchange computation time: 2.5780730247 s
-154.0564405068
Anderson extrapolation: theta=0.3444963136 (0.3444963136)
-931.39660199
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3499064744 (a.u.)
total exchange computation time: 2.5783450603 s
-154.0563356442
Anderson extrapolation: theta=1.0556127030 (1.0556127030)
-931.39660270
-116.032778 66.798292 142.353131
559.606443 1031.354963 -411.300220
443.573665 1098.153255 -268.947089
1214.508421
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1302974581
ExchangeOperator: bisection time: 5.118 s
total exchange = -52.3499237811 (a.u.)
total exchange computation time: 2.5754749775 s
678.66958755
-1082.97452486
89.79595874
-389.72484057
-174.81286036
77.86618311
551.60419304
0.00000000
-931.39660328
3.97321094 -30.87868762 -2.27482522
0.00012988 -0.00042568 0.00004149
-0.00245623 -0.01372079 0.01324125
-11.53419211 -1.80813739 -9.24398121
0.00013759 0.00037600 -0.00013314
-0.01624894 -0.00734131 -0.00514778
-37.48291829 2.45393258 0.13082553
-0.00010081 0.00000714 0.00016463
0.01223661 0.01818398 -0.02382035
-11.72224844 -4.12651740 3.86804068
0.00001336 -0.00021548 0.00011186
0.04026025 0.00234780 -0.00132638
4.26674582 -3.96375932 9.22406747
-0.00026549 -0.00011115 -0.00033240
0.02231091 0.03374401 -0.01009729
-32.11858204 -0.46692326 -0.40592178
-0.00046273 0.00031539 0.00027708
-0.00795076 0.00717403 0.02040280
14.51069192 12.59015208 -13.81908292
-0.00028032 -0.00016489 0.00046985
0.03966939 -0.01559664 0.04243322
-7.71081147 6.04584181 2.57088371
-0.00002972 -0.00001019 0.00006766
0.00747507 -0.01302121 0.01790397
7.57236162 12.54299180 -5.85055190
-0.00008005 -0.00018644 -0.00033670
-0.04414022 -0.02589835 0.00195554
8.84360917 9.89009697 -18.95369519
-0.00005878 0.00010608 0.00000908
0.00502413 -0.00273174 -0.03039427
23.32770771 17.31416442 -2.19358788
-0.00025938 0.00013621 -0.00008019
-0.01576885 0.01078170 0.00236642
2.19469432 16.85233123 -19.59313376
-0.00014579 -0.00017164 -0.00006939
0.01404422 0.00727996 0.05715416
14.02534876 -1.18168670 -5.63452645
0.00005697 0.00024643 -0.00029489
-0.00979461 0.00267583 0.02684710
-16.05496864 -1.42664502 3.20384788
0.00002879 0.00014237 0.00007404
-0.03323007 -0.02372140 -0.00694651
-16.66483890 -1.94261606 18.98953593
0.00054917 -0.00024573 -0.00039358
0.02584715 -0.01723671 0.02685420
0.39998778 2.03215830 -4.93263841
0.00001549 0.00008584 0.00018512
0.01215258 -0.02360917 0.00276754
22.60854243 -7.13394205 -8.85626085
0.00025496 0.00005083 0.00008728
0.01379760 -0.01421676 -0.00581433
-0.67104033 -6.35757778 7.23668210
-0.00015776 0.00017918 0.00001176
-0.01234843 -0.00907310 0.01682935
-1.75072257 -1.40331119 -19.34161333
-0.00000514 0.00007462 -0.00006773
-0.03141915 0.04540534 -0.00386617
3.22397123 1.96313989 -9.29486412
0.00000573 -0.00040032 -0.00000508
0.01168374 -0.00589520 -0.03779313
-3.86762733 17.82217135 12.31392875
-0.00004602 -0.00018516 0.00005419
0.04862989 -0.02790014 -0.01474717
-3.85711501 4.98058962 -11.07467615
0.00007009 0.00005028 0.00007319
0.01410721 0.01343729 0.01355847
-7.97043816 2.94731163 -8.98738230
0.00002020 -0.00032790 0.00007356
-0.05428196 -0.01856149 0.02954011
2.27781374 27.43920965 8.62564810
0.00030016 0.00012642 0.00011885
0.02091789 -0.00650215 -0.01833224
9.77641063 -6.21856937 -1.84582978
-0.00031096 -0.00003687 0.00009868
-0.00237354 0.01308517 -0.00705616
-8.73477787 0.78430883 6.01099143
0.00002120 0.00015714 0.00001532
-0.04499859 -0.01852343 0.00212695
20.34428213 10.81380507 8.87009096
-0.00001944 -0.00001884 -0.00006470
0.01780679 -0.01511456 -0.00020574
-2.24760669 -2.11680000 -27.29244727
0.00031890 -0.00007273 -0.00019313
0.00704264 -0.03459111 0.00504688
-14.33235334 6.17548350 7.72347437
-0.00001022 0.00006438 0.00027084
0.01377874 -0.02086721 0.00306197
-9.57317174 7.29471747 -2.49657055
0.00007643 0.00006543 0.00015622
-0.01195361 0.00188233 -0.00178959
-1.80021300 -15.51371885 23.57519007
0.00004171 0.00030661 -0.00040505
0.05519177 0.01524626 -0.00694120
-2.67596480 6.31548670 -6.27586651
-0.00018002 0.00010229 0.00011399
0.01174785 -0.00392180 0.02401790
-20.06050971 30.95637036 4.25085511
-0.00008223 -0.00049419 -0.00030917
-0.05336091 -0.03515858 0.00860411
7.60769298 0.18305023 7.79415806
0.00007964 0.00038510 -0.00034828
0.01074832 -0.01457480 0.02082342
5.71650248 11.53959724 -13.62827542
0.00016555 0.00010919 0.00038141
-0.06433777 -0.02344253 -0.03784960
15.53672874 2.82784589 -1.90152160
-0.00009965 -0.00024123 0.00018740
0.00535876 -0.02167440 0.00445691
-4.36399864 13.44753195 -0.89950363
-0.00013062 -0.00034164 0.00030486
0.01063946 -0.01121777 0.01314103
4.63304898 12.42333522 3.05967128
0.00011364 0.00000661 -0.00041364
-0.02865794 -0.01335183 0.00127949
25.00931147 -11.64275464 -9.78428859
0.00013846 0.00021139 -0.00030338
0.01661685 0.01036410 -0.02500248
16.55442623 -3.73839895 -0.54445491
0.00031874 0.00016183 -0.00025925
-0.00015612 -0.02005526 -0.00389775
13.01536270 7.96204427 10.06910036
0.00025549 0.00003887 0.00003213
0.00997714 0.00853006 0.01257067
1.58719824 -13.99769062 17.64681070
-0.00007355 -0.00014706 -0.00008234
0.01732787 0.02814499 0.00683124
-4.12449708 -0.71211640 -14.26533859
0.00044948 -0.00007262 0.00036093
0.02027746 -0.01711208 -0.02492525
15.10290204 -7.70917156 -8.90606649
-0.00000761 0.00047377 0.00024381
-0.00382935 0.00084299 -0.03992319
8.47453195 -6.96318076 8.80261943
-0.00028042 -0.00012995 0.00015644
0.02735743 0.01523057 -0.02263478
-21.21570663 2.29266865 22.72092643
0.00017444 -0.00006858 0.00002888
0.00409648 0.00352906 0.04901860
25.70130084 -3.25446835 -8.02815185
-0.00008544 -0.00006589 -0.00021179
0.01317655 -0.00541502 0.00495623
9.84710689 -14.05108186 -8.06599424
0.00006896 0.00013614 -0.00048101
0.00714085 0.01011261 -0.00727570
-6.67059655 -12.44430199 16.94587135
-0.00023382 -0.00004542 0.00017700
0.02197145 0.02775510 0.00175094
8.05009129 3.30739811 -29.36045664
-0.00034976 -0.00049171 0.00004073
0.00891492 -0.00910726 0.00655011
10.85259608 15.37836664 15.34418106
0.00007064 0.00002706 0.00006580
0.03518111 0.04029755 0.02880914
28.64267065 6.11342152 -3.28480468
0.00023154 0.00020780 -0.00021672
0.00253743 0.00923105 0.01274106
5.45670377 -31.27238050 -3.25025641
0.00004628 -0.00048690 -0.00053881
0.00579834 -0.00562370 -0.01103665
4.28267095 -31.53009504 -0.56905277
0.00080193 0.00055522 0.00066668
-0.00185216 0.00301280 0.00040356
-11.66760747 -3.59683347 -8.67011802
-0.00025279 0.00055138 -0.00017479
-0.00524290 0.01840366 -0.01251419
-12.61361358 -1.47402998 -10.72763306
0.00048574 0.00085523 0.00017314
0.01143907 -0.01077711 0.01618897
-39.02415289 2.00740014 0.90764891
0.00027158 -0.00007884 0.00005198
-0.01912754 -0.00540138 0.01605098
-37.93267029 3.95927655 -0.92300090
0.00001831 -0.00101912 0.00048987
0.00734944 -0.01172629 0.00806158
-10.48793615 -5.56924246 3.58914075
-0.00041224 0.00070733 -0.00015658
-0.02094859 0.00934149 0.00094547
-10.55628535 -2.68622632 3.61753746
-0.00060945 -0.00017125 0.00010514
-0.01335760 -0.01149813 0.00464321
4.96946305 -2.42293958 8.30782549
-0.00083236 0.00020645 0.00006569
-0.01530363 -0.02896613 0.02151977
4.65683533 -3.58455504 11.01856241
-0.00086297 0.00003212 -0.00019575
-0.00956317 -0.00357117 -0.01089576
-33.42201380 -1.71268159 -0.63223601
-0.00046058 0.00026170 0.00064860
-0.00968963 0.00263801 0.00761461
-32.65668847 0.76703688 0.92172039
-0.00032504 0.00096493 0.00078004
0.00211489 -0.02094788 -0.02685381
14.49579305 12.60594968 -15.58833920
-0.00084861 -0.00001118 -0.00097817
-0.01180609 0.00555511 -0.04178779
16.27921537 12.00334351 -13.50041274
-0.00104597 0.00087883 -0.00016625
-0.02001845 0.01114839 0.00001531
-8.73911432 7.20039015 1.63904848
0.00035139 -0.00002185 0.00035168
-0.00325564 0.00615793 -0.01238955
-7.42182445 4.63967013 1.41787635
-0.00020266 0.00156727 0.00046436
-0.00115325 0.00427836 -0.00726876
6.09709625 12.30747548 -6.95790069
-0.00035611 -0.00001312 -0.00038291
0.01445990 0.00323449 0.00840962
8.78600497 13.64297491 -6.72894862
-0.00031773 -0.00044607 0.00061622
0.01245543 0.00676580 -0.00753160
8.48019991 8.86347287 -20.45723413
0.00021247 0.00022217 0.00040454
0.00134999 0.00239502 0.01363694
9.95490417 11.19567366 -19.68949351
-0.00057330 -0.00047175 -0.00040672
0.00582827 -0.00879548 0.01346773
23.71540306 15.57145041 -2.58714289
0.00041925 -0.00065470 -0.00033841
0.01217063 0.00041137 -0.00431763
24.94802213 18.21595339 -2.24190689
-0.00036969 0.00013168 0.00007967
-0.00683006 -0.00025119 -0.00904870
1.57809264 16.80854425 -21.26044182
0.00065796 0.00024294 -0.00095582
-0.00899056 -0.00481015 -0.03649796
3.22809087 15.34682914 -19.17950903
0.00068277 0.00113102 -0.00091184
-0.00411125 0.00101729 -0.01045879
12.57920744 -0.61014138 -6.60165946
-0.00089638 -0.00061144 0.00027837
0.00027636 -0.01015865 -0.01463881
13.33052862 -1.12791492 -3.91285746
-0.00008707 0.00070123 -0.00060343
0.00907530 -0.00161759 -0.01272490
-17.51464810 -2.58295688 2.65199306
-0.00054326 0.00135524 -0.00091422
0.03289793 0.01758211 0.02001481
-14.59436328 -2.49717188 3.53741130
0.00011167 0.00035091 -0.00068340
-0.00446476 -0.01055678 -0.01082571
-16.43130835 -0.51050606 20.21033773
-0.00093002 -0.00038786 0.00032415
0.00259557 -0.01230949 -0.01512366
-15.40501168 -3.26208036 19.53843248
0.00029873 -0.00022618 0.00042700
-0.02064845 0.02841349 -0.00632666
-0.68351508 0.45452458 -5.02564623
0.00065851 -0.00091394 0.00050141
0.00714182 0.01804775 0.00061770
-0.66037650 3.47160121 -4.99192213
0.00036863 -0.00005311 0.00010787
-0.02104965 0.01255350 0.00043747
23.56489332 -8.71896856 -9.14155687
-0.00008187 0.00078350 0.00037664
-0.01667703 -0.00181188 -0.00251122
24.03061775 -5.97983538 -8.76104958
0.00020886 -0.00059764 -0.00000641
-0.00676379 0.01586058 0.00697926
0.26286747 -6.06786404 5.71173153
-0.00037640 -0.00059004 -0.00022045
0.01132253 0.00561233 -0.00487611
0.27313217 -5.71529186 8.68000114
0.00071940 -0.00156154 0.00001677
0.00426758 0.00007854 -0.01257673
-0.72827882 -2.76936308 -18.94585104
0.00066637 -0.00005129 -0.00076785
0.02146145 -0.03908545 0.00153412
-3.02766430 -1.80332144 -20.61912779
0.00047033 0.00012313 0.00042322
0.00509592 -0.01078943 0.00505405
2.57067066 2.44236564 -10.99462924
-0.00027815 0.00105149 -0.00001189
0.01061696 0.00071296 0.02491899
2.20749979 2.66720402 -7.98995331
-0.00017269 -0.00054935 0.00068324
-0.02043464 0.00138505 0.01580045
-2.27254692 16.64659775 12.41045062
0.00042738 0.00027979 0.00000994
-0.03068698 0.02419958 0.00093917
-3.46154328 19.08816455 13.56122353
-0.00011518 -0.00141745 0.00041268
-0.00294425 0.00261665 0.00856807
-4.93601496 6.33561762 -11.61763955
-0.00153666 0.00099806 0.00132260
-0.00735408 0.00223732 -0.00745943
-3.66050780 3.79034268 -12.39171475
-0.00078393 -0.00118308 -0.00065844
-0.00027160 -0.01406966 -0.01749115
-7.76800810 2.09754768 -7.35964119
0.00062534 0.00009443 -0.00029583
-0.00119607 0.00266089 -0.01240807
-6.34831465 3.40653478 -9.38090586
0.00052385 -0.00034820 0.00014705
0.05262478 0.01714510 -0.01585013
2.70658328 28.26923132 7.01340637
0.00060587 -0.00054144 0.00071488
-0.00962837 -0.00953227 0.01697501
0.77972508 28.16639457 9.25734902
0.00045591 0.00093321 0.00011596
-0.01828767 0.01113215 0.00228240
10.63609916 -7.45148777 -0.83046856
0.00035616 -0.00039958 0.00030957
0.00648930 -0.00484356 0.00997418
8.63598970 -7.15333537 -2.91033624
-0.00046658 0.00021807 -0.00024111
-0.00536565 -0.00779876 0.00057484
-6.98059870 0.60495777 6.34711491
0.00020206 -0.00012219 0.00067129
0.01997460 -0.01495459 0.01287901
-9.62890049 -0.59347826 6.95526078
-0.00050233 0.00034135 0.00067165
0.02050201 0.02636987 -0.01201715
21.77229786 10.14810372 9.85622490
-0.00021811 0.00058907 0.00029643
-0.01315510 0.00806406 0.00209218
21.01186699 12.41200257 8.26021557
0.00007733 0.00104518 -0.00000725
-0.00443752 0.01212538 -0.00219214
-1.47612353 -3.69262636 -26.50704094
0.00039625 0.00070988 -0.00028164
-0.00573490 0.03417128 -0.01026726
-4.00683891 -2.16422062 -26.82617358
0.00137144 0.00020786 -0.00029684
-0.00430348 0.00258483 0.00429428
-13.92176875 7.16434142 9.20305096
0.00042843 -0.00005515 0.00011229
-0.00586461 0.00607182 -0.00549650
-15.46704918 7.09782231 6.66282905
-0.00014492 -0.00012198 0.00081232
0.00234169 0.01058075 0.00378838
-11.28399063 7.41472339 -3.15922529
0.00005258 0.00072216 0.00137863
0.00908656 -0.00099438 0.00322880
-8.48612391 8.31479995 -3.68249131
0.00071703 -0.00023363 0.00049427
-0.01598959 -0.01076476 0.01078272
-1.10250620 -17.18734567 23.27776790
0.00096464 0.00060617 -0.00069436
0.00299404 -0.00807835 -0.00388306
-3.47560782 -15.66751230 24.02315693
-0.00145945 0.00061391 -0.00038720
-0.04956993 -0.00421786 0.01361193
-2.28250761 6.12485973 -8.00985049
0.00056944 0.00063468 0.00036362
-0.00561560 -0.00333008 -0.02182227
-4.17660969 7.32041889 -6.12055774
-0.00020269 -0.00150926 0.00052356
-0.01102441 0.00675158 0.00025913
-21.35373926 30.11186157 3.04884214
-0.00025810 -0.00132021 -0.00009568
0.01712540 0.01259471 0.01000491
-21.23322983 31.36893547 5.65529260
-0.00010167 -0.00082989 0.00106270
0.01173553 0.00307725 -0.01258785
7.11010996 -0.29000582 6.09644341
-0.00026544 -0.00079038 -0.00079878
-0.00707912 0.01379673 -0.00953280
7.67655576 1.97438505 8.05232620
0.00014653 0.00009672 0.00017783
-0.00831201 0.00854999 -0.00805942
7.06771356 12.68232402 -14.13886385
0.00027804 0.00011460 0.00004258
0.00663410 0.01302675 0.00861716
4.29535378 11.81517285 -14.95272823
0.00014489 -0.00009177 -0.00009538
0.04771577 -0.00395524 0.03801898
14.46688407 3.71882264 -3.08818924
-0.00022368 -0.00016922 0.00037079
-0.00131612 0.00040987 0.00653620
15.02405477 1.01449348 -1.93285251
-0.00032971 0.00003122 -0.00018026
0.00809736 0.03643289 0.00059436
-2.62137786 13.20513901 -0.37196546
-0.00016929 -0.00046682 -0.00032754
-0.00519488 -0.00021574 -0.00618582
-5.33093871 12.87348041 0.60907821
-0.00055652 0.00033956 0.00003431
-0.00190696 0.00709920 -0.01340751
3.70936708 10.68457494 3.56440751
-0.00054446 0.00014277 -0.00005975
0.01045493 0.04043479 -0.01604328
6.37939606 11.93451425 3.07152495
0.00060070 -0.00080892 -0.00068786
0.01414098 -0.00398059 0.00460762
25.15222403 -12.67304968 -8.29254811
0.00016107 0.00069947 0.00027496
0.00661261 -0.00807367 -0.00041047
26.53519109 -11.56274602 -11.05013718
0.00076297 -0.00037486 -0.00010605
-0.02531809 -0.00245568 0.02620167
14.69918956 -3.84554587 -0.54925895
-0.00009826 0.00063508 0.00110156
0.02373763 -0.00038960 0.00386895
17.22356140 -5.53422849 -0.68629826
-0.00030190 0.00038521 0.00041655
-0.01763130 0.02467647 0.00120205
12.42083168 8.05205609 11.83463222
-0.00011419 0.00019158 0.00104406
-0.00469727 -0.00857170 -0.01072910
13.45373957 9.73589604 9.72000743
0.00021829 0.00011522 0.00089798
-0.00557889 -0.00798556 -0.01002872
-0.11914797 -14.47658539 17.21412048
0.00036075 -0.00093608 0.00003739
-0.01369380 -0.00832787 -0.00413850
1.42234749 -12.26425163 18.29150199
0.00020667 0.00022601 0.00035197
0.00730659 -0.01581745 -0.00323499
-3.80784169 -2.39977371 -13.52416291
-0.00032559 0.00059315 0.00034862
-0.00772076 0.01729527 0.00229859
-3.31207737 -0.90998694 -15.96373810
0.00024396 -0.00084127 -0.00098274
-0.00701959 0.00445349 0.01932391
14.28738758 -8.22214233 -10.54629438
0.00090701 -0.00017285 -0.00093363
0.01366716 0.00757464 0.02447539
16.44025236 -6.37540681 -9.52903542
-0.00051801 -0.00008084 -0.00008199
-0.02076856 -0.01129069 0.02144562
7.01455197 -5.83896337 8.94778459
-0.00040795 -0.00115058 -0.00058501
-0.00527643 0.00080953 -0.00135136
9.46021929 -6.26067102 7.37685241
0.00026826 -0.00141286 0.00090884
-0.00962464 -0.00448662 0.01805965
-21.64314745 2.00711572 21.01806212
-0.00054934 0.00032131 0.00051442
-0.00633412 -0.01036505 -0.03178294
-22.02161529 0.99389435 23.83418718
-0.00061990 0.00098422 0.00087387
0.00366646 0.00952317 -0.02101251
26.68649278 -3.00029004 -6.50445795
0.00005817 0.00017119 -0.00056481
-0.00230311 0.00097241 0.00170349
25.20232996 -1.56407013 -8.47460856
0.00018229 0.00027653 -0.00038901
-0.00466325 0.01490681 -0.00364895
9.35318648 -15.75080748 -7.66738265
0.00087354 0.00082948 -0.00005039
-0.00126125 -0.00846117 0.00431635
9.05730213 -12.87581751 -6.91349931
0.00051456 -0.00030666 0.00054777
-0.00264203 0.00050492 0.00163541
-5.94019719 -11.16644677 18.09744247
-0.00059762 -0.00085677 -0.00005187
-0.00166367 -0.01168911 -0.00496113
-7.25299029 -11.38949096 15.57166981
0.00045239 -0.00029297 -0.00011575
-0.00159747 0.00202737 -0.00653303
8.48401757 1.51673456 -29.31116531
-0.00018270 0.00032924 0.00019672
-0.00008108 0.00896139 -0.00506806
6.38062667 3.38022110 -30.07217821
-0.00109777 0.00048429 0.00074048
-0.01034307 -0.00858788 -0.01042196
12.62414908 15.47781914 14.54749572
0.00067517 0.00031231 0.00062948
-0.01013192 -0.01295709 0.00500140
11.11021120 15.86580395 17.20937341
0.00035625 -0.00012577 -0.00003656
-0.00320771 -0.00823819 -0.04215847
29.35347676 4.82971749 -4.37098693
-0.00058143 0.00001312 -0.00026057
0.00174015 -0.00444762 -0.00902041
26.93826802 6.40928640 -3.86403070
-0.00024396 -0.00020553 -0.00064494
-0.00740002 0.00472162 -0.00008962
-9.94157025 4.84819266 6.72699150
0.00000755 -0.00000155 -0.00024424
-0.00262912 0.01137159 0.00021286
-8.71639959 13.31023714 2.59632182
-0.00007634 0.00007006 -0.00000125
-0.00321932 0.00012886 -0.00140880
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09470849
0.30189479
402.25966861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.312 s
total exchange = -52.3512250803 (a.u.)
total exchange computation time: 2.5609250069 s
-154.0621376421
-931.39994399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.310 s
total exchange = -52.3513615479 (a.u.)
total exchange computation time: 2.5630388260 s
-154.0622741568
Anderson extrapolation: theta=1.3583893601 (1.3583893601)
-931.40015438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.313 s
total exchange = -52.3514714653 (a.u.)
total exchange computation time: 2.5637471676 s
-154.0630093450
Anderson extrapolation: theta=0.0560035316 (0.0560035316)
-931.40028335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.311 s
total exchange = -52.3514130484 (a.u.)
total exchange computation time: 2.5626831055 s
-154.0635441190
Anderson extrapolation: theta=2.0570522425 (2.0000000000)
-931.40028903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.404 s
total exchange = -52.3512711156 (a.u.)
total exchange computation time: 2.5609240532 s
-154.0647265553
Anderson extrapolation: theta=0.2605722755 (0.2605722755)
-931.40029563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.401 s
total exchange = -52.3512254473 (a.u.)
total exchange computation time: 2.5636258125 s
-154.0650261404
Anderson extrapolation: theta=1.6515046486 (1.6515046486)
-931.40029706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.401 s
total exchange = -52.3511633649 (a.u.)
total exchange computation time: 2.5620388985 s
-154.0653597969
Anderson extrapolation: theta=0.3216465623 (0.3216465623)
-931.40029871
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.404 s
total exchange = -52.3511581105 (a.u.)
total exchange computation time: 2.5632328987 s
-154.0653117192
Anderson extrapolation: theta=1.1459981653 (1.1459981653)
-931.40029915
-116.090441 66.793822 142.311747
559.603952 1031.362617 -411.246523
443.513511 1098.156439 -268.934775
1214.486605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1306003245
ExchangeOperator: bisection time: 4.492 s
total exchange = -52.3511635090 (a.u.)
total exchange computation time: 2.5384800434 s
678.68518960
-1082.99931357
89.78939767
-389.70911252
-174.81529711
77.88019268
551.60419304
0.00000000
-931.40029945
3.97514965 -30.88512570 -2.27415186
0.00012901 -0.00043288 0.00004843
-0.00093256 -0.01429769 0.01374423
-11.53219089 -1.80252576 -9.24599820
0.00012968 0.00037235 -0.00013529
-0.01452636 -0.00684812 -0.00319964
-37.48438322 2.45410989 0.13320304
-0.00009365 0.00001547 0.00015293
0.01559663 0.01418041 -0.02165477
-11.72189269 -4.12974047 3.86971352
0.00003284 -0.00021372 0.00011137
0.03547211 0.00447618 -0.00059826
4.26284958 -3.96529638 9.21904250
-0.00025424 -0.00009398 -0.00033740
0.02143181 0.03301654 -0.00934190
-32.12555360 -0.46216476 -0.40168690
-0.00046700 0.00031977 0.00028827
-0.00868456 0.00986458 0.02310028
14.50664015 12.58761862 -13.81187145
-0.00026177 -0.00017213 0.00048782
0.03248002 -0.01255512 0.02744550
-7.71122841 6.04563875 2.57196774
-0.00002596 -0.00001517 0.00007876
0.00713364 -0.00636579 0.02522667
7.57099058 12.54009529 -5.85559482
-0.00010373 -0.00020048 -0.00033523
-0.04793888 -0.02869832 0.00376334
8.84274686 9.89167768 -18.95367622
-0.00005647 0.00010451 -0.00000572
0.00394720 -0.00339342 -0.02716562
23.32375620 17.31624912 -2.19478160
-0.00026714 0.00013999 -0.00007926
-0.01439425 0.00394060 0.00124896
2.19256157 16.84978467 -19.59395418
-0.00013975 -0.00016694 -0.00004169
0.00944271 0.01101854 0.05057973
14.02616547 -1.17797986 -5.63884624
0.00005157 0.00024796 -0.00028156
-0.01120320 0.00326141 0.02498440
-16.05466498 -1.42460090 3.20493164
0.00001150 0.00013077 0.00007034
-0.03398610 -0.02139683 -0.00741140
-16.65650159 -1.94636857 18.98373582
0.00056231 -0.00025435 -0.00037947
0.02523360 -0.01627225 0.02799982
0.40026704 2.03335481 -4.92985093
0.00002215 0.00007280 0.00018659
0.01373592 -0.02708734 0.00293763
22.61242007 -7.13323438 -8.85497410
0.00026093 0.00004414 0.00008447
0.00943019 -0.01181473 -0.00512558
-0.67345437 -6.35492502 7.23692347
-0.00016435 0.00017430 0.00002026
-0.01326474 -0.00990304 0.01619614
-1.75092081 -1.40201667 -19.34264422
-0.00001985 0.00009728 -0.00006849
-0.02578474 0.04268977 0.00089918
3.22410220 1.95711229 -9.29508608
0.00001079 -0.00040254 -0.00002415
0.00802183 -0.00273026 -0.03637721
-3.86812999 17.81928631 12.31468468
-0.00002094 -0.00020016 0.00004592
0.04890007 -0.03042811 -0.01739116
-3.85600927 4.98139564 -11.07352598
0.00007633 0.00005715 0.00007767
0.01015439 0.01329221 0.00387069
-7.97034462 2.94232151 -8.98616494
-0.00000616 -0.00033655 0.00008765
-0.04818922 -0.01506396 0.02526440
2.28239678 27.44108088 8.62736011
0.00031006 0.00012267 0.00011084
0.01757654 -0.00808052 -0.01280128
9.77173715 -6.21907197 -1.84437679
-0.00031172 -0.00003113 0.00009570
-0.00061100 0.00925776 -0.00453784
-8.73463339 0.78659454 6.01122940
-0.00000137 0.00014715 0.00001688
-0.04277621 -0.02035986 0.00395162
20.34405927 10.81346419 8.86911971
-0.00000993 -0.00002493 -0.00006553
0.01916638 -0.00857883 -0.00301895
-2.24279598 -2.11802445 -27.29532474
0.00032430 -0.00008964 -0.00019145
0.01393044 -0.03114230 0.00149621
-14.33245345 6.17636876 7.72754881
-0.00000272 0.00005325 0.00027264
0.01537479 -0.02244133 0.00393379
-9.57207146 7.29570622 -2.49423414
0.00007101 0.00006619 0.00015590
-0.00911380 0.00106361 0.00054851
-1.79937445 -15.50906095 23.56908758
0.00006663 0.00031416 -0.00040767
0.04169414 0.01412257 -0.00326820
-2.67861973 6.31700585 -6.27406397
-0.00017256 0.00009930 0.00012644
0.01724143 -0.00770452 0.02440000
-20.06194894 30.94882186 4.24625068
-0.00011042 -0.00051199 -0.00030372
-0.05627748 -0.03404869 0.01262387
7.60892899 0.18877059 7.78901413
0.00008484 0.00037661 -0.00033879
0.00948727 -0.01845178 0.01610009
5.71873756 11.54114473 -13.62270030
0.00013261 0.00009735 0.00036159
-0.06376902 -0.02259969 -0.03923422
15.53525462 2.82414390 -1.89869336
-0.00009686 -0.00025196 0.00018959
0.00550287 -0.02008531 0.00403295
-4.36591684 13.44236404 -0.89487999
-0.00012544 -0.00034714 0.00031103
0.00947661 -0.01015174 0.01083554
4.63464309 12.42338287 3.05347157
0.00010010 -0.00000067 -0.00041294
-0.02399263 -0.01496263 0.00147220
25.01145247 -11.63954378 -9.78893567
0.00014734 0.00021633 -0.00031589
0.01790205 0.00883576 -0.02364601
16.55920671 -3.73604882 -0.54835864
0.00031777 0.00015213 -0.00026105
-0.00361539 -0.01767124 -0.00312233
13.01923352 7.96266028 10.06963080
0.00026007 0.00004318 0.00004038
0.00785592 0.00821073 0.01949920
1.58616178 -13.99978795 17.64560192
-0.00006413 -0.00013194 -0.00007851
0.01933023 0.03065708 0.00805407
-4.11767666 -0.71327174 -14.26002073
0.00046024 -0.00008035 0.00034602
0.02155752 -0.01292714 -0.03306506
15.10277319 -7.70206172 -8.90256338
-0.00001025 0.00047344 0.00022237
-0.00644488 -0.00213990 -0.04344682
8.47043122 -6.96507132 8.80487866
-0.00026619 -0.00012343 0.00014580
0.02795126 0.01015465 -0.01871835
-21.21307428 2.29165362 22.72154868
0.00017675 -0.00006659 0.00005481
0.00488151 0.00420575 0.05182143
25.70007007 -3.25547758 -8.03130958
-0.00007902 -0.00006808 -0.00020963
0.01178371 -0.00309395 0.00344563
9.84816881 -14.04900068 -8.07323749
0.00007276 0.00014292 -0.00048475
0.00762797 0.01623807 -0.00727291
-6.67401916 -12.44487630 16.94853309
-0.00022300 -0.00003231 0.00017718
0.02012453 0.02326195 -0.00105462
8.04487929 3.29998737 -29.35982050
-0.00034623 -0.00049463 0.00004378
0.00481390 -0.00224672 0.00533378
10.85379132 15.37892803 15.34527912
0.00008913 0.00004775 0.00008048
0.03675048 0.04014322 0.02831308
28.64615351 6.11657414 -3.28800626
0.00023168 0.00021279 -0.00021055
-0.00200485 0.01017344 0.01124711
5.45757571 -31.27985634 -3.25867670
0.00006676 -0.00050898 -0.00058097
0.00422250 -0.00518660 -0.00960444
4.29464312 -31.52167438 -0.55904025
0.00079355 0.00056822 0.00066454
-0.00225103 0.00335059 -0.00145111
-11.67155995 -3.58799883 -8.67312327
-0.00027419 0.00062420 -0.00022552
-0.00523532 0.01724002 -0.01232127
-12.60597701 -1.46153171 -10.72453995
0.00052885 0.00081187 0.00023490
0.00966371 -0.01044930 0.01404406
-39.02066529 2.00605203 0.90892039
0.00018910 -0.00010226 0.00012013
-0.02124635 -0.00606343 0.01730910
-37.93217040 3.94363049 -0.91540585
0.00004580 -0.00105696 0.00051601
0.00610482 -0.00680026 0.00473550
-10.49476169 -5.55834619 3.58682099
-0.00049184 0.00073779 -0.00015377
-0.01801707 0.00556530 0.00043199
-10.56583642 -2.68914745 3.61925678
-0.00066057 -0.00021397 0.00012365
-0.01166438 -0.00941206 0.00441798
4.95650870 -2.42073045 8.30947028
-0.00089345 0.00008940 0.00015197
-0.01459835 -0.02833079 0.02071387
4.64359773 -3.58418263 11.01529229
-0.00090144 0.00001706 -0.00024040
-0.00926760 -0.00380290 -0.01096287
-33.42921936 -1.70867526 -0.62227367
-0.00050030 0.00027270 0.00067955
-0.00975584 0.00274550 0.00753590
-32.66149933 0.78086887 0.93259814
-0.00031434 0.00087350 0.00066460
0.00312633 -0.02380860 -0.02965517
14.48270207 12.60595223 -15.60429228
-0.00089653 0.00001124 -0.00112109
-0.01164715 0.00541912 -0.02817403
16.26291241 12.01686762 -13.50290605
-0.00111337 0.00091908 -0.00016389
-0.01297704 0.00855417 0.00113933
-8.73394330 7.20025108 1.64394405
0.00033472 0.00000808 0.00029894
-0.00490204 0.00849430 -0.01342618
-7.42489976 4.66331023 1.42461903
-0.00020333 0.00156638 0.00042176
0.00082722 -0.00471397 -0.01358507
6.09219765 12.30737784 -6.96338667
-0.00029432 0.00000063 -0.00034775
0.01578940 0.00349281 0.00880445
8.78162067 13.63649115 -6.71993613
-0.00026164 -0.00041317 0.00058030
0.01500262 0.00933808 -0.01005336
8.48342834 8.86687878 -20.45074809
0.00021566 0.00022703 0.00045525
0.00020908 -0.00001733 0.01118384
9.94648320 11.18832793 -19.69518158
-0.00054456 -0.00050155 -0.00035341
0.00824223 -0.00579407 0.01262911
23.72206480 15.56164252 -2.59235135
0.00046626 -0.00064045 -0.00035292
0.01083863 0.00656477 -0.00278665
24.94226751 18.21792092 -2.24098916
-0.00039594 0.00013139 0.00004195
-0.00602219 0.00011028 -0.00941341
1.58768655 16.81204096 -21.27589750
0.00062450 0.00022393 -0.00109495
-0.00739087 -0.00449429 -0.03160578
3.23820642 15.36382564 -19.19350712
0.00067072 0.00112732 -0.00095120
-0.00178546 -0.00282763 -0.00880953
12.56577026 -0.61962425 -6.59793251
-0.00089195 -0.00065312 0.00021803
0.00188836 -0.01024279 -0.01489928
13.32950070 -1.11744597 -3.92229877
-0.00004992 0.00069370 -0.00065073
0.00910625 -0.00206952 -0.01043132
-17.52178884 -2.56208946 2.63889312
-0.00040772 0.00142458 -0.00083116
0.03344923 0.01635960 0.02064332
-14.59282502 -2.49223168 3.52682860
0.00009434 0.00030485 -0.00072759
-0.00401884 -0.01198927 -0.01080626
-16.44517908 -0.51670122 20.21473659
-0.00091848 -0.00043987 0.00026023
0.00305195 -0.01314883 -0.01616817
-15.40116343 -3.26460232 19.54464367
0.00021483 -0.00011028 0.00040067
-0.02042069 0.02831625 -0.00656539
-0.67341864 0.44136844 -5.01810611
0.00068781 -0.00083566 0.00050339
0.00720279 0.02027461 0.00035177
-0.65549211 3.47118924 -4.99029071
0.00027878 0.00000067 0.00010932
-0.02293131 0.01377022 0.00027460
23.56315427 -8.70727162 -9.13598425
-0.00014551 0.00076578 0.00036432
-0.01447491 -0.00686288 -0.00351900
24.03354342 -5.98831391 -8.76093183
0.00018571 -0.00052737 0.00002252
-0.00456943 0.01853352 0.00718131
0.25756848 -6.07654260 5.70827538
-0.00032956 -0.00056726 -0.00024023
0.01160234 0.00553777 -0.00480933
0.28405390 -5.73871260 8.67986733
0.00073812 -0.00155934 -0.00003328
0.00489708 0.00099970 -0.01192253
-0.71762563 -2.77133016 -18.95732172
0.00074966 -0.00020382 -0.00076350
0.01930764 -0.03557873 0.00059371
-3.02045320 -1.80180517 -20.61262464
0.00048399 0.00007734 0.00043653
0.00158860 -0.01162140 0.00146247
2.56682378 2.45815990 -10.99404400
-0.00023260 0.00105215 0.00009385
0.01167770 -0.00039081 0.02684075
2.20428324 2.65900621 -7.97922046
-0.00025082 -0.00054774 0.00074139
-0.01781060 -0.00059792 0.01266120
-2.26707664 16.65153611 12.41062854
0.00030039 0.00037742 0.00001268
-0.03147504 0.02359338 0.00040157
-3.46336123 19.06698292 13.56767621
-0.00012610 -0.00139888 0.00045371
-0.00240143 0.00647460 0.01151707
-4.95929014 6.35065706 -11.59802917
-0.00155484 0.00099056 0.00129581
-0.00154894 -0.00590629 -0.00565220
-3.67227506 3.77216534 -12.40212728
-0.00078898 -0.00122374 -0.00071383
-0.00219897 -0.00583473 -0.00962272
-7.75866471 2.09904561 -7.36445891
0.00061934 0.00010089 -0.00033965
-0.00173779 0.00050094 -0.00904108
-6.33884433 3.40183714 -9.37918583
0.00072736 -0.00028081 0.00008386
0.04699660 0.01584441 -0.01508288
2.71537634 28.26081763 7.02464969
0.00056910 -0.00057547 0.00077470
-0.00837190 -0.00712592 0.01230698
0.78600328 28.18073382 9.25915836
0.00038515 0.00097681 0.00012375
-0.01634745 0.01021289 0.00153053
10.64164045 -7.45762983 -0.82551936
0.00037659 -0.00041223 0.00034334
0.00351026 -0.00135234 0.00655799
8.62882658 -7.15030328 -2.91393530
-0.00048589 0.00018705 -0.00023652
-0.00408725 -0.00738725 0.00167059
-6.97695575 0.60266673 6.35757896
0.00027768 -0.00018257 0.00072285
0.01704447 -0.01460489 0.01235821
-9.63580723 -0.58754989 6.96496730
-0.00041669 0.00045194 0.00062003
0.02142108 0.02776412 -0.01324940
21.76862312 10.15718693 9.86073553
-0.00026950 0.00062081 0.00030632
-0.01200025 0.00747143 0.00274878
21.01289094 12.42805180 8.26003963
0.00005424 0.00108268 -0.00001220
-0.00686399 0.00623335 -0.00023103
-1.47035549 -3.68093101 -26.51158022
0.00037548 0.00084243 -0.00032044
-0.00443143 0.03071401 -0.00872567
-3.98639916 -2.16102352 -26.83049465
0.00133720 0.00021824 -0.00027475
-0.01245586 0.00249691 0.00651970
-13.91552205 7.16370024 9.20456689
0.00040479 -0.00002960 0.00009121
-0.00570592 0.00643314 -0.00482483
-15.46915121 7.09631677 6.67512988
-0.00013886 -0.00007604 0.00082459
0.00062572 0.01190760 0.00221847
-11.28292348 7.42552533 -3.13844687
0.00008499 0.00071878 0.00138863
0.00677966 -0.00065965 0.00166446
-8.47585835 8.31096567 -3.67474685
0.00064988 -0.00027692 0.00053684
-0.01688324 -0.01042885 0.01005777
-1.08794479 -17.17850072 23.26723352
0.00097320 0.00057412 -0.00070925
0.00119575 -0.00760948 -0.00340435
-3.49901847 -15.65843283 24.01776606
-0.00163087 0.00059723 -0.00033992
-0.03434345 -0.00394812 0.00953289
-2.27413811 6.13427782 -8.00506496
0.00054598 0.00062127 0.00027300
-0.00586943 -0.00323210 -0.02253277
-4.17998780 7.29798691 -6.11269636
-0.00025794 -0.00147468 0.00052486
-0.01602142 0.01017390 0.00037434
-21.35708601 30.09244441 3.04771350
-0.00018757 -0.00126588 -0.00005288
0.01740094 0.01399701 0.01094531
-21.23439531 31.35658145 5.67084745
-0.00004752 -0.00081999 0.00100117
0.01477383 0.00176716 -0.01753541
7.10591140 -0.30143868 6.08416961
-0.00029168 -0.00072892 -0.00082668
-0.00576277 0.01628590 -0.00412458
7.67849895 1.97609785 8.05474667
0.00011213 0.00013461 0.00014363
-0.00852359 0.00999633 -0.00868024
7.07208744 12.68444225 -14.13796108
0.00030330 0.00016573 0.00007902
0.00573027 0.01199910 0.00921846
4.29898922 11.81367510 -14.95299397
0.00034038 -0.00010828 0.00006125
0.04797932 -0.00412675 0.03865305
14.46348851 3.71629694 -3.08242716
-0.00022896 -0.00016718 0.00039723
-0.00126660 0.00058828 0.00640823
15.01935720 1.01607823 -1.93553822
-0.00029702 0.00017649 -0.00017713
0.00790508 0.03467652 0.00094056
-2.62407644 13.19813015 -0.37706805
-0.00018841 -0.00046852 -0.00035066
-0.00416368 -0.00061967 -0.00513518
-5.33934488 12.87879131 0.60918200
-0.00056386 0.00036716 -0.00001786
-0.00168759 0.00641118 -0.01213191
3.70152049 10.68795553 3.56301965
-0.00050088 0.00030775 -0.00012607
0.01087783 0.04032408 -0.01642256
6.38883993 11.92225845 3.06134825
0.00064731 -0.00082297 -0.00066851
0.00867161 -0.00289848 0.00486428
25.15484269 -12.66280499 -8.28843630
0.00018732 0.00066812 0.00027052
0.00623675 -0.00727124 -0.00176250
26.54585978 -11.56844412 -11.05092498
0.00065729 -0.00038376 0.00000158
-0.02641153 -0.00190409 0.02648076
14.69844310 -3.83603153 -0.53261694
0.00000353 0.00063371 0.00111655
0.02608648 -0.00028134 0.00346606
17.21849267 -5.52769423 -0.68001314
-0.00037167 0.00048110 0.00042056
-0.01652153 0.02226286 0.00075862
12.41897486 8.05466711 11.84996430
-0.00012970 0.00015526 0.00098762
-0.00289287 -0.00920822 -0.01689803
13.45684302 9.73737958 9.73316986
0.00019606 0.00008391 0.00085549
-0.00530330 -0.00734000 -0.01077277
-0.11415641 -14.49088185 17.21455456
0.00030177 -0.00096845 0.00002078
-0.01517500 -0.00751443 -0.00399169
1.42567149 -12.26134613 18.29668238
0.00023534 0.00015504 0.00033625
0.00672766 -0.01892424 -0.00445890
-3.81296210 -2.39034650 -13.51886313
-0.00035473 0.00065429 0.00036183
-0.00654562 0.01263359 0.00416693
-3.30863305 -0.92246956 -15.97788702
0.00021022 -0.00082170 -0.00089144
-0.00949767 0.00512480 0.02536694
14.30141158 -8.22450304 -10.55954884
0.00096384 -0.00013987 -0.00082583
0.01414893 0.00857291 0.02829357
16.43184579 -6.37696540 -9.52960812
-0.00059872 -0.00012392 0.00000554
-0.01873790 -0.00979711 0.02140318
7.00827106 -5.85619730 8.93896799
-0.00043457 -0.00114113 -0.00059053
-0.00775643 0.00381696 -0.00135172
9.46394824 -6.28200141 7.39103846
0.00023332 -0.00142581 0.00097469
-0.00747913 -0.00185061 0.01417269
-21.65158162 2.01161769 21.02480451
-0.00057706 0.00027779 0.00038018
-0.00723699 -0.01093623 -0.03392937
-22.03080151 1.00894952 23.84665127
-0.00060435 0.00102296 0.00078639
0.00394795 0.00943975 -0.02180825
26.68729482 -2.99769245 -6.51287792
0.00005061 0.00017495 -0.00055544
-0.00139952 0.00086973 0.00288437
25.20492137 -1.55946536 -8.48055551
0.00016434 0.00033308 -0.00040325
-0.00411955 0.01277487 -0.00332014
9.36625099 -15.73862457 -7.66800629
0.00086545 0.00078274 -0.00003048
-0.00270325 -0.01441796 0.00543141
9.06493952 -12.88040193 -6.90523260
0.00050536 -0.00030543 0.00055208
-0.00186013 0.00009697 0.00047081
-5.94921250 -11.17965654 18.09651245
-0.00059967 -0.00089610 -0.00006524
0.00066258 -0.00756230 -0.00158403
-7.24625338 -11.39382341 15.56973342
0.00044509 -0.00028361 -0.00014336
-0.00197495 0.00255295 -0.00698470
8.48127455 1.52194773 -29.30836977
-0.00018237 0.00035462 0.00017562
0.00024153 0.00346493 -0.00526326
6.36384320 3.38722227 -30.06139038
-0.00113384 0.00044668 0.00069997
-0.00731602 -0.00982387 -0.00940614
12.63396620 15.48210677 14.55709123
0.00063065 0.00025876 0.00064879
-0.01166201 -0.01325691 0.00445139
11.11545670 15.86366492 17.20753314
0.00034215 -0.00015879 -0.00020693
-0.00369367 -0.00792275 -0.04123668
29.34480857 4.82977806 -4.37517193
-0.00057169 -0.00000673 -0.00029777
0.00302735 -0.00527170 -0.00918819
26.93438181 6.40634812 -3.87370761
-0.00026709 -0.00018626 -0.00064156
-0.00392037 0.00470954 0.00174824
-9.94146412 4.84819995 6.72332854
0.00000660 0.00000253 -0.00024413
-0.00264915 0.01142922 0.00037909
-8.71755024 13.31128826 2.59630064
-0.00007708 0.00007006 -0.00000156
-0.00314516 -0.00008949 -0.00125695
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09510746
0.30519198
406.65301375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.685 s
total exchange = -52.3539300547 (a.u.)
total exchange computation time: 2.6140630245 s
-154.0797327952
-931.40283824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.683 s
total exchange = -52.3541194543 (a.u.)
total exchange computation time: 2.6148569584 s
-154.0794856254
Anderson extrapolation: theta=1.3784978069 (1.3784978069)
-931.40304105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3543044700 (a.u.)
total exchange computation time: 2.6152789593 s
-154.0796638384
Anderson extrapolation: theta=0.0625570482 (0.0625570482)
-931.40316869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.683 s
total exchange = -52.3542500341 (a.u.)
total exchange computation time: 2.6150679588 s
-154.0801464910
Anderson extrapolation: theta=2.1591554568 (2.0000000000)
-931.40317520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.681 s
total exchange = -52.3541130959 (a.u.)
total exchange computation time: 2.6154959202 s
-154.0812270120
Anderson extrapolation: theta=0.3128201399 (0.3128201399)
-931.40318328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.682 s
total exchange = -52.3540602525 (a.u.)
total exchange computation time: 2.6140999794 s
-154.0815506369
Anderson extrapolation: theta=1.3197917199 (1.3197917199)
-931.40318524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.682 s
total exchange = -52.3540002293 (a.u.)
total exchange computation time: 2.6140310764 s
-154.0818348792
Anderson extrapolation: theta=0.4016065526 (0.4016065526)
-931.40318714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3539884878 (a.u.)
total exchange computation time: 2.6143779755 s
-154.0818060769
Anderson extrapolation: theta=0.9786407504 (0.9786407504)
-931.40318777
-116.150209 66.798672 142.261607
559.599498 1031.372489 -411.194459
443.449289 1098.171161 -268.932853
1214.476039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.684 s
total exchange = -52.3539872025 (a.u.)
total exchange computation time: 2.6144251823 s
678.72297108
-1083.07528630
89.78255421
-389.65786058
-174.82157940
77.92306624
551.60419304
0.00000000
-931.40318820
3.97708116 -30.89167409 -2.27337246
0.00012897 -0.00044038 0.00005556
0.00077478 -0.01485400 0.01399180
-11.53030173 -1.79696696 -9.24803988
0.00012274 0.00036902 -0.00013636
-0.01247131 -0.00608037 -0.00094921
-37.48572783 2.45439660 0.13541349
-0.00008496 0.00002151 0.00014259
0.01820829 0.00932091 -0.01855845
-11.72126329 -4.13292901 3.87138174
0.00004964 -0.00021085 0.00011130
0.02987248 0.00669234 0.00033342
4.25911867 -3.96657872 9.21394546
-0.00024353 -0.00007739 -0.00034197
0.02022021 0.03151159 -0.00842452
-32.13259215 -0.45733017 -0.39727380
-0.00047163 0.00032533 0.00030065
-0.00930925 0.01175640 0.02506128
14.50283895 12.58498831 -13.80444825
-0.00024721 -0.00017773 0.00049810
0.02411796 -0.00925492 0.01251216
-7.71159032 6.04538657 2.57324639
-0.00002248 -0.00001658 0.00009362
0.00639032 0.00089646 0.03257371
7.56924970 12.53697739 -5.86060871
-0.00012914 -0.00021586 -0.00033281
-0.05087746 -0.03110793 0.00562842
8.84191501 9.89323222 -18.95386682
-0.00005474 0.00010262 -0.00001873
0.00278551 -0.00395912 -0.02343566
23.31969366 17.31836422 -2.19596568
-0.00027420 0.00014036 -0.00007887
-0.01306741 -0.00252836 0.00025571
2.19050168 16.84732312 -19.59438439
-0.00013620 -0.00016031 -0.00001765
0.00439952 0.01474329 0.04289385
14.02689575 -1.17424786 -5.64297329
0.00004546 0.00024978 -0.00026933
-0.01254432 0.00381194 0.02258014
-16.05462351 -1.42272185 3.20595822
-0.00000598 0.00012043 0.00006649
-0.03399102 -0.01881766 -0.00757045
-16.64796961 -1.95024661 18.97815172
0.00057498 -0.00026238 -0.00036490
0.02403522 -0.01496062 0.02869128
0.40065227 2.03434234 -4.92704080
0.00002953 0.00005827 0.00018814
0.01496080 -0.02941227 0.00309222
22.61637046 -7.13261786 -8.85372689
0.00026460 0.00003884 0.00008203
0.00481249 -0.00881211 -0.00433504
-0.67597074 -6.35234865 7.23728978
-0.00017133 0.00016904 0.00002832
-0.01387831 -0.01056979 0.01517528
-1.75131798 -1.40039282 -19.34366816
-0.00003136 0.00011821 -0.00006670
-0.01898312 0.03871630 0.00606823
3.22429506 1.95106363 -9.29558869
0.00001390 -0.00040308 -0.00004221
0.00407366 0.00064785 -0.03382823
-3.86825541 17.81616652 12.31530645
0.00000416 -0.00021625 0.00003637
0.04867569 -0.03214374 -0.01977503
-3.85482520 4.98230421 -11.07234594
0.00008053 0.00006387 0.00007732
0.00618739 0.01284575 -0.00525920
-7.97062284 2.93721519 -8.98475266
-0.00002889 -0.00034321 0.00009933
-0.04020783 -0.01082832 0.02012269
2.28711542 27.44288978 8.62897337
0.00031802 0.00011812 0.00010593
0.01337812 -0.00959884 -0.00631786
9.76705895 -6.21950315 -1.84295881
-0.00031160 -0.00002737 0.00009399
0.00107506 0.00533194 -0.00211060
-8.73481891 0.78872319 6.01149785
-0.00002247 0.00013635 0.00001932
-0.03927430 -0.02163232 0.00553412
20.34398427 10.81305714 8.86812517
0.00000019 -0.00002769 -0.00006780
0.02017054 -0.00216007 -0.00582431
-2.23787779 -2.11948915 -27.29819066
0.00033311 -0.00010458 -0.00019169
0.02034973 -0.02694726 -0.00245311
-14.33243495 6.17708089 7.73165359
0.00000556 0.00004134 0.00027485
0.01680853 -0.02385336 0.00465631
-9.57104148 7.29670318 -2.49189350
0.00006705 0.00006646 0.00015684
-0.00629455 -0.00000502 0.00311731
-1.79821423 -15.50429409 23.56295987
0.00008453 0.00032109 -0.00040843
0.02793664 0.01283726 0.00033650
-2.68114164 6.31846556 -6.27207319
-0.00016232 0.00009444 0.00013888
0.02256481 -0.01118249 0.02395762
-20.06382234 30.94101069 4.24174364
-0.00013989 -0.00052921 -0.00029627
-0.05832991 -0.03293194 0.01631813
7.61023819 0.19434859 7.78399441
0.00008940 0.00036622 -0.00033169
0.00825640 -0.02194649 0.01150106
5.72048067 11.54251788 -13.61742786
0.00010026 0.00008597 0.00034124
-0.06201453 -0.02166379 -0.03988503
15.53382296 2.82028695 -1.89583401
-0.00009393 -0.00026165 0.00019156
0.00590177 -0.01757100 0.00364807
-4.36776192 13.43711781 -0.89017276
-0.00012089 -0.00035206 0.00031593
0.00823123 -0.00898485 0.00824159
4.63605211 12.42331509 3.04728322
0.00008904 -0.00000871 -0.00041217
-0.01901935 -0.01628602 0.00149367
25.01373158 -11.63626476 -9.79376518
0.00015665 0.00022057 -0.00032758
0.01831274 0.00765775 -0.02183206
16.56395930 -3.73383501 -0.55228647
0.00031511 0.00014382 -0.00026245
-0.00670845 -0.01466700 -0.00231052
13.02316495 7.96333963 10.07031167
0.00026363 0.00004726 0.00005198
0.00595598 0.00764117 0.02564043
1.58527444 -14.00164877 17.64445526
-0.00005381 -0.00011574 -0.00007416
0.02079684 0.03234273 0.00886697
-4.11068993 -0.71452682 -14.25495796
0.00047151 -0.00008578 0.00032711
0.02228167 -0.00820428 -0.04048686
15.10259461 -7.69496840 -8.89939546
-0.00001421 0.00047154 0.00019937
-0.00894650 -0.00522890 -0.04599822
8.46654613 -6.96688355 8.80699348
-0.00025184 -0.00011951 0.00013734
0.02788388 0.00509372 -0.01419909
-21.21040426 2.29067103 22.72257072
0.00017941 -0.00006426 0.00008170
0.00546841 0.00484840 0.05275715
25.69893021 -3.25651068 -8.03444072
-0.00007334 -0.00006897 -0.00020827
0.01029129 -0.00037713 0.00183402
9.84928958 -14.04679423 -8.08053685
0.00007676 0.00015276 -0.00048846
0.00793813 0.02203537 -0.00714696
-6.67728652 -12.44527114 16.95118670
-0.00021320 -0.00002156 0.00017578
0.01798478 0.01852763 -0.00439204
8.03970442 3.29255930 -29.35914321
-0.00034493 -0.00049391 0.00004619
0.00024245 0.00501716 0.00402790
10.85527009 15.37979912 15.34659560
0.00010833 0.00006828 0.00009472
0.03790423 0.03968070 0.02704781
28.64962090 6.11980524 -3.29112107
0.00022952 0.00021819 -0.00020520
-0.00637195 0.01081733 0.00953254
5.45870643 -31.28765004 -3.26768561
0.00008035 -0.00052915 -0.00061690
0.00243394 -0.00468402 -0.00798261
4.30647733 -31.51304837 -0.54911666
0.00078355 0.00058243 0.00065494
-0.00264207 0.00360652 -0.00324914
-11.67583328 -3.57810761 -8.67688364
-0.00029559 0.00069133 -0.00027511
-0.00523877 0.01562103 -0.01195276
-12.59774819 -1.44967383 -10.72058613
0.00056403 0.00077025 0.00028688
0.00755730 -0.00992509 0.01140056
-39.01847980 2.00433232 0.91125268
0.00009994 -0.00012777 0.00019234
-0.02239856 -0.00642265 0.01803963
-37.93129638 3.92756766 -0.90752059
0.00006776 -0.00107356 0.00052770
0.00464621 -0.00132330 0.00098858
-10.50269143 -5.54710884 3.58452770
-0.00055847 0.00075180 -0.00015334
-0.01459922 0.00129257 -0.00022080
-10.57610236 -2.69264540 3.62124686
-0.00070410 -0.00024730 0.00014110
-0.00964356 -0.00690126 0.00412785
4.94265968 -2.42025761 8.31238454
-0.00095100 -0.00002349 0.00023394
-0.01357633 -0.02693073 0.01941248
4.62979215 -3.58404329 11.01135030
-0.00093859 0.00000113 -0.00028469
-0.00891730 -0.00399369 -0.01071547
-33.43702281 -1.70450067 -0.61184948
-0.00053996 0.00028432 0.00071012
-0.00965540 0.00294167 0.00742769
-32.66611859 0.79324173 0.94165843
-0.00030007 0.00077187 0.00053931
0.00385689 -0.02593571 -0.03167644
14.46889728 12.60628691 -15.62197204
-0.00094340 0.00003302 -0.00120860
-0.01130009 0.00524134 -0.01466051
16.24581415 12.03091598 -13.50532954
-0.00114999 0.00094827 -0.00015683
-0.00494631 0.00573284 0.00231694
-8.72907271 7.20063259 1.64801678
0.00031199 0.00004689 0.00024264
-0.00622619 0.01050204 -0.01413391
-7.42792437 4.68666142 1.43052914
-0.00019570 0.00152816 0.00035263
0.00290728 -0.01399391 -0.02025327
6.08826672 12.30749427 -6.96833306
-0.00022827 0.00001523 -0.00031181
0.01654078 0.00365372 0.00878867
8.77815582 13.63057968 -6.71153977
-0.00019576 -0.00037034 0.00053470
0.01724724 0.01163147 -0.01226733
8.48666959 8.87028363 -20.44357663
0.00021404 0.00022155 0.00049521
-0.00099851 -0.00266535 0.00837572
9.93856736 11.18062710 -19.70009567
-0.00050566 -0.00051876 -0.00030386
0.01079936 -0.00263018 0.01162151
23.72939079 15.55223695 -2.59773059
0.00050785 -0.00060202 -0.00036138
0.00952120 0.01224516 -0.00135421
24.93614382 18.21989521 -2.24064834
-0.00041875 0.00013273 0.00000281
-0.00514181 0.00054552 -0.00974815
1.59682750 16.81526224 -21.29329017
0.00059805 0.00020634 -0.00121185
-0.00555462 -0.00411732 -0.02562172
3.24821254 15.38064885 -19.20804510
0.00066852 0.00110786 -0.00098372
0.00070509 -0.00670056 -0.00710890
12.55244881 -0.62973486 -6.59511869
-0.00088062 -0.00069519 0.00015691
0.00365754 -0.01035335 -0.01501658
13.32903088 -1.10710385 -3.93237939
-0.00001310 0.00068446 -0.00068779
0.00892133 -0.00245639 -0.00770923
-17.52687960 -2.54021941 2.62705832
-0.00027138 0.00148811 -0.00074617
0.03328676 0.01473989 0.02095945
-14.59153305 -2.48802625 3.51558362
0.00007873 0.00025328 -0.00077170
-0.00362322 -0.01325574 -0.01078789
-16.45886276 -0.52370223 20.21814456
-0.00090507 -0.00049465 0.00019252
0.00351092 -0.01366622 -0.01697467
-15.39856669 -3.26538888 19.55045249
0.00013306 0.00000383 0.00037384
-0.01960603 0.02754325 -0.00656751
-0.66288077 0.42945487 -5.01054443
0.00071687 -0.00074910 0.00050419
0.00702176 0.02209598 0.00003654
-0.65201309 3.47162119 -4.98864246
0.00018248 0.00005789 0.00011017
-0.02420774 0.01424110 0.00014221
23.56052812 -8.69599527 -9.13062729
-0.00019925 0.00072666 0.00034770
-0.01183333 -0.01228337 -0.00461480
24.03618905 -5.99565659 -8.76037397
0.00017133 -0.00044677 0.00005221
-0.00246917 0.02092444 0.00735110
0.25298056 -6.08488178 5.70452449
-0.00028216 -0.00054502 -0.00025905
0.01160361 0.00534595 -0.00440259
0.29527576 -5.76207207 8.67900283
0.00075935 -0.00155350 -0.00008050
0.00549680 0.00186082 -0.01119291
-0.70578915 -2.77547771 -18.96875602
0.00082205 -0.00033930 -0.00076355
0.01613163 -0.03074158 -0.00062029
-3.01314473 -1.80100112 -20.60603185
0.00048300 0.00002816 0.00043486
-0.00206968 -0.01245402 -0.00227871
2.56369259 2.47393021 -10.99181379
-0.00018335 0.00104844 0.00020605
0.01243277 -0.00142713 0.02808037
2.19997514 2.65077176 -7.96771166
-0.00031742 -0.00055466 0.00078578
-0.01479153 -0.00278816 0.00906669
-2.26353533 16.65792041 12.41083108
0.00017139 0.00047170 0.00001319
-0.03167052 0.02255786 -0.00015474
-3.46532636 19.04619809 13.57483473
-0.00013498 -0.00136526 0.00050630
-0.00194443 0.00998137 0.01422879
-4.98266025 6.36533453 -11.57876519
-0.00154991 0.00095093 0.00127571
0.00396404 -0.01349452 -0.00418553
-3.68417710 3.75363042 -12.41312955
-0.00080132 -0.00123126 -0.00073753
-0.00384482 0.00215539 -0.00197975
-7.74942783 2.10057424 -7.36983071
0.00061137 0.00009820 -0.00036896
-0.00216457 -0.00181497 -0.00530384
-6.32649376 3.39811054 -9.37839017
0.00090371 -0.00021990 0.00002483
0.03932809 0.01397216 -0.01380852
2.72365632 28.25196722 7.03664726
0.00053794 -0.00059903 0.00081409
-0.00688327 -0.00440895 0.00697560
0.79127960 28.19569899 9.26106150
0.00032365 0.00101594 0.00012794
-0.01375701 0.00894080 0.00051841
10.64739688 -7.46385477 -0.82016825
0.00038477 -0.00041059 0.00036315
0.00049476 0.00215759 0.00313659
8.62141297 -7.14772393 -2.91743198
-0.00049975 0.00015791 -0.00022725
-0.00269890 -0.00687787 0.00286848
-6.97226821 0.59948062 6.36880041
0.00033980 -0.00024123 0.00077183
0.01336235 -0.01410704 0.01161676
-9.64140115 -0.57991996 6.97386181
-0.00032841 0.00056671 0.00056436
0.02179287 0.02841586 -0.01400457
21.76421292 10.16672803 9.86541461
-0.00031533 0.00064989 0.00031944
-0.01043644 0.00676448 0.00367069
21.01349422 12.44448305 8.25984953
0.00002156 0.00109654 -0.00000939
-0.00913271 0.00055013 0.00160854
-1.46485904 -3.66735333 -26.51665426
0.00036074 0.00095922 -0.00035217
-0.00278368 0.02645386 -0.00680609
-3.96672278 -2.15767339 -26.83441615
0.00126986 0.00022830 -0.00024356
-0.02050819 0.00242542 0.00874850
-13.90962505 7.16345333 9.20578712
0.00038190 -0.00000263 0.00007297
-0.00550065 0.00676939 -0.00410132
-15.47121490 7.09554101 6.68756668
-0.00013959 -0.00002499 0.00083065
-0.00098402 0.01308298 0.00074906
-11.28144083 7.43628683 -3.11756644
0.00010751 0.00071684 0.00139220
0.00424233 -0.00029012 0.00008401
-8.46662751 8.30649225 -3.66638599
0.00057962 -0.00031841 0.00057600
-0.01750720 -0.00987769 0.00911112
-1.07331009 -17.17012212 23.25649051
0.00097426 0.00054443 -0.00072208
-0.00067672 -0.00692514 -0.00287860
-3.52453391 -15.64959532 24.01295943
-0.00173947 0.00058156 -0.00030926
-0.01881851 -0.00372598 0.00547464
-2.26612831 6.14349783 -8.00166038
0.00052107 0.00060846 0.00018121
-0.00632463 -0.00303803 -0.02239932
-4.18434779 7.27617845 -6.10481204
-0.00033282 -0.00142695 0.00052664
-0.02063257 0.01319253 0.00049697
-21.35936633 30.07388507 3.04725567
-0.00011648 -0.00120631 -0.00000676
0.01739888 0.01516455 0.01163088
-21.23465536 31.34433574 5.68532761
0.00001789 -0.00081505 0.00092066
0.01724191 0.00065301 -0.02187502
7.10135966 -0.31187345 6.07164303
-0.00031261 -0.00065748 -0.00083280
-0.00448555 0.01868277 0.00112728
7.67991976 1.97842329 8.05663517
0.00007691 0.00017773 0.00010700
-0.00871692 0.01111412 -0.00924988
7.07681249 12.68729587 -14.13649335
0.00032434 0.00021215 0.00011827
0.00457170 0.01072229 0.00999452
4.30556513 11.81192444 -14.95089081
0.00053487 -0.00012526 0.00021866
0.04722414 -0.00418343 0.03840373
14.46001532 3.71380729 -3.07627235
-0.00023404 -0.00016434 0.00042311
-0.00121885 0.00080283 0.00626203
15.01514410 1.01978818 -1.93816628
-0.00026567 0.00031255 -0.00017263
0.00744278 0.03192733 0.00126037
-2.62703021 13.19108331 -0.38248536
-0.00020294 -0.00047195 -0.00036935
-0.00294956 -0.00105987 -0.00401167
-5.34785447 12.88449514 0.60854228
-0.00057048 0.00039177 -0.00006438
-0.00155584 0.00563645 -0.01063673
3.69434056 10.69380743 3.56062532
-0.00045584 0.00047149 -0.00019366
0.01116963 0.03982583 -0.01666152
6.39881526 11.90982502 3.05146966
0.00067133 -0.00083248 -0.00064807
0.00308931 -0.00175379 0.00514070
25.15784358 -12.65300594 -8.28443252
0.00021183 0.00064075 0.00026048
0.00576407 -0.00612952 -0.00315037
26.55490981 -11.57425892 -11.05008988
0.00054818 -0.00039022 0.00010932
-0.02699736 -0.00125680 0.02625819
14.69929538 -3.82653444 -0.51576251
0.00011353 0.00063280 0.00112980
0.02775861 -0.00016527 0.00302048
17.21241140 -5.51979556 -0.67368153
-0.00043630 0.00056584 0.00042272
-0.01511669 0.01921842 0.00030230
12.41694075 8.05671379 11.86426077
-0.00013830 0.00011652 0.00090755
-0.00131621 -0.00975471 -0.02229727
13.45962145 9.73841328 9.74567208
0.00017505 0.00005561 0.00081002
-0.00498157 -0.00651177 -0.01148270
-0.11009487 -14.50563884 17.21474400
0.00023798 -0.00099713 0.00000510
-0.01605070 -0.00652480 -0.00368727
1.42940780 -12.25960041 18.30158951
0.00026148 0.00007273 0.00031603
0.00606763 -0.02136568 -0.00543917
-3.81848367 -2.38014501 -13.51330796
-0.00037901 0.00069542 0.00038310
-0.00534001 0.00750198 0.00624544
-3.30577080 -0.93463809 -15.99048130
0.00016746 -0.00079955 -0.00077739
-0.01143556 0.00571909 0.03045938
14.31630271 -8.22633835 -10.57106929
0.00102173 -0.00010331 -0.00070410
0.01418788 0.00932177 0.03129209
16.42229083 -6.37912441 -9.52886910
-0.00067044 -0.00016029 0.00009241
-0.01636897 -0.00800430 0.02112016
7.00151480 -5.87319730 8.93006856
-0.00047097 -0.00111979 -0.00059618
-0.01005832 0.00663050 -0.00141352
9.46721882 -6.30344521 7.40609310
0.00020811 -0.00142761 0.00102353
-0.00486228 0.00096696 0.00973646
-21.66045931 2.01544942 21.02946750
-0.00060764 0.00023259 0.00024031
-0.00773303 -0.01118864 -0.03453981
-22.03974577 1.02458321 23.85777882
-0.00058803 0.00106068 0.00069642
0.00404167 0.00902224 -0.02222937
26.68801109 -2.99504156 -6.52112111
0.00004672 0.00017830 -0.00054130
-0.00050652 0.00077098 0.00403765
25.20726031 -1.55407766 -8.48670594
0.00014884 0.00038016 -0.00041593
-0.00347250 0.01026876 -0.00289037
9.37914983 -15.72732527 -7.66829705
0.00085182 0.00071237 -0.00000613
-0.00396751 -0.02002800 0.00648913
9.07246290 -12.88498041 -6.89693704
0.00049940 -0.00030594 0.00055144
-0.00105551 -0.00034561 -0.00078086
-5.95818720 -11.19332977 18.09548535
-0.00059180 -0.00091783 -0.00006415
0.00318969 -0.00307303 0.00211793
-7.23963751 -11.39799941 15.56736897
0.00043649 -0.00027237 -0.00017240
-0.00223402 0.00295287 -0.00723132
8.47854634 1.52737325 -29.30589680
-0.00018027 0.00035686 0.00015386
0.00078807 -0.00236895 -0.00538512
6.34661137 3.39362136 -30.05117902
-0.00115501 0.00040399 0.00066432
-0.00304422 -0.01106935 -0.00804462
12.64306861 15.48558192 14.56695954
0.00058034 0.00020411 0.00066561
-0.01296522 -0.01349655 0.00378021
11.12047583 15.86104034 17.20316564
0.00032633 -0.00019002 -0.00037161
-0.00405262 -0.00736805 -0.03937843
29.33632592 4.82951554 -4.37992004
-0.00055702 -0.00002939 -0.00033517
0.00415695 -0.00582219 -0.00911976
26.93025533 6.40369848 -3.88327738
-0.00027598 -0.00016697 -0.00063061
-0.00043067 0.00473432 0.00361164
-9.94137221 4.84826859 6.71966762
0.00000565 0.00000663 -0.00024396
-0.00266916 0.01147543 0.00054166
-8.71871184 13.31233908 2.59627509
-0.00007780 0.00007002 -0.00000183
-0.00308094 -0.00032026 -0.00106739
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09566537
0.30752283
409.75874841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.233 s
total exchange = -52.3576622251 (a.u.)
total exchange computation time: 2.6138648987 s
-154.1031078814
-931.40391389
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.234 s
total exchange = -52.3578727615 (a.u.)
total exchange computation time: 2.6145720482 s
-154.1028414024
Anderson extrapolation: theta=1.3738129854 (1.3738129854)
-931.40410522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.234 s
total exchange = -52.3581042245 (a.u.)
total exchange computation time: 2.6135439873 s
-154.1029123429
Anderson extrapolation: theta=0.0597449429 (0.0597449429)
-931.40422400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.233 s
total exchange = -52.3580696685 (a.u.)
total exchange computation time: 2.6141948700 s
-154.1033023239
Anderson extrapolation: theta=2.0566119093 (2.0000000000)
-931.40422948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.234 s
total exchange = -52.3579866058 (a.u.)
total exchange computation time: 2.6138041019 s
-154.1041265507
Anderson extrapolation: theta=0.2479456564 (0.2479456564)
-931.40423585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.235 s
total exchange = -52.3579656116 (a.u.)
total exchange computation time: 2.6153881550 s
-154.1042766965
Anderson extrapolation: theta=1.5800379690 (1.5800379690)
-931.40423719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.231 s
total exchange = -52.3579480605 (a.u.)
total exchange computation time: 2.6135621071 s
-154.1043509152
Anderson extrapolation: theta=0.3181863559 (0.3181863559)
-931.40423872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.236 s
total exchange = -52.3579575583 (a.u.)
total exchange computation time: 2.6136629581 s
-154.1042279461
Anderson extrapolation: theta=1.2089515217 (1.2089515217)
-931.40423917
-116.210401 66.815648 142.206221
559.593474 1031.384384 -411.143877
443.383073 1098.200032 -268.937656
1214.479033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 3.325 s
total exchange = -52.3579790109 (a.u.)
total exchange computation time: 2.6143200397 s
678.78821417
-1083.20653276
89.77342933
-389.56906280
-174.83230847
77.99539626
551.60419304
0.00000000
-931.40423954
3.97901865 -30.89833706 -2.27248513
0.00012983 -0.00044814 0.00006275
0.00258940 -0.01532750 0.01396988
-11.52850879 -1.79145506 -9.25008888
0.00011694 0.00036617 -0.00013620
-0.01007274 -0.00503098 0.00156648
-37.48693197 2.45475521 0.13748077
-0.00007514 0.00002485 0.00013408
0.01995927 0.00367526 -0.01453566
-11.72040342 -4.13606592 3.87305254
0.00006336 -0.00020682 0.00011176
0.02346732 0.00898561 0.00146303
4.25554376 -3.96761796 9.20878342
-0.00023353 -0.00006179 -0.00034602
0.01865498 0.02912935 -0.00732802
-32.13970252 -0.45240487 -0.39266736
-0.00047655 0.00033165 0.00031384
-0.00980754 0.01282499 0.02623322
14.49922382 12.58228660 -13.79692853
-0.00023723 -0.00018159 0.00050087
0.01468565 -0.00574892 -0.00174944
-7.71190293 6.04514131 2.57477633
-0.00001949 -0.00001418 0.00011216
0.00526137 0.00842621 0.03952734
7.56711632 12.53361950 -5.86557918
-0.00015578 -0.00023232 -0.00032945
-0.05272138 -0.03291294 0.00744741
8.84110464 9.89475622 -18.95423822
-0.00005362 0.00010047 -0.00002971
0.00155691 -0.00440321 -0.01926411
23.31553030 17.32045982 -2.19714779
-0.00028058 0.00013752 -0.00007896
-0.01175899 -0.00849122 -0.00058554
2.18847572 16.84497530 -19.59448369
-0.00013528 -0.00015182 0.00000223
-0.00083219 0.01829503 0.03440491
14.02752926 -1.17048646 -5.64692613
0.00003869 0.00025187 -0.00025846
-0.01377124 0.00430096 0.01967156
-16.05484428 -1.42098798 3.20692640
-0.00002323 0.00011148 0.00006264
-0.03310394 -0.01597695 -0.00738997
-16.63925221 -1.95424007 18.97278896
0.00058687 -0.00026964 -0.00035010
0.02220564 -0.01327224 0.02884144
0.40115293 2.03510297 -4.92420681
0.00003742 0.00004288 0.00018977
0.01572662 -0.03044125 0.00325583
22.62035798 -7.13206932 -8.85251313
0.00026593 0.00003513 0.00008001
0.00036104 -0.00560918 -0.00353839
-0.67859418 -6.34985383 7.23777317
-0.00017853 0.00016348 0.00003577
-0.01414496 -0.01106511 0.01377558
-1.75186159 -1.39847028 -19.34464529
-0.00003916 0.00013682 -0.00006221
-0.01135949 0.03363976 0.01138932
3.22451934 1.94501996 -9.29635227
0.00001498 -0.00040193 -0.00005869
0.00011137 0.00381536 -0.03028948
-3.86800530 17.81279875 12.31577565
0.00002898 -0.00023297 0.00002570
0.04783859 -0.03285161 -0.02171650
-3.85359339 4.98331187 -11.07120648
0.00008272 0.00007030 0.00007249
0.00231809 0.01214395 -0.01352256
-7.97121125 2.93202533 -8.98318515
-0.00004716 -0.00034755 0.00010819
-0.03085326 -0.00605928 0.01433330
2.29193727 27.44462463 8.63053788
0.00032363 0.00011283 0.00010454
0.00846412 -0.01099416 0.00092337
9.76238905 -6.21989320 -1.84155712
-0.00031065 -0.00002563 0.00009349
0.00262730 0.00145140 0.00015197
-8.73530742 0.79068495 6.01180900
-0.00004147 0.00012505 0.00002250
-0.03460120 -0.02230193 0.00683156
20.34406488 10.81263341 8.86708569
0.00001069 -0.00002722 -0.00007151
0.02067929 0.00397941 -0.00861221
-2.23280261 -2.12116175 -27.30107551
0.00034499 -0.00011715 -0.00019404
0.02584098 -0.02196014 -0.00669195
-14.33228678 6.17760900 7.73579429
0.00001450 0.00002878 0.00027738
0.01798468 -0.02498814 0.00517183
-9.57006007 7.29770011 -2.48952881
0.00006450 0.00006612 0.00015915
-0.00359502 -0.00132416 0.00586080
-1.79683850 -15.49942821 23.55683476
0.00009548 0.00032733 -0.00040740
0.01465750 0.01142565 0.00366459
-2.68348948 6.31983901 -6.26989758
-0.00014948 0.00008792 0.00015088
0.02739400 -0.01414712 0.02271131
-20.06614573 30.93294546 4.23736249
-0.00017016 -0.00054584 -0.00028703
-0.05938749 -0.03170945 0.01960775
7.61161109 0.19975728 7.77906341
0.00009335 0.00035417 -0.00032689
0.00709343 -0.02490696 0.00716879
5.72174537 11.54372389 -13.61246311
0.00006919 0.00007511 0.00032073
-0.05881662 -0.02057664 -0.03988526
15.53243683 2.81629446 -1.89294651
-0.00009073 -0.00026979 0.00019335
0.00654113 -0.01409804 0.00330372
-4.36954351 13.43180227 -0.88540194
-0.00011699 -0.00035635 0.00031944
0.00692003 -0.00770762 0.00537717
4.63731440 12.42312167 3.04110639
0.00008058 -0.00001733 -0.00041144
-0.01389322 -0.01722720 0.00135291
25.01615197 -11.63292667 -9.79876311
0.00016615 0.00022409 -0.00033816
0.01863768 0.00601802 -0.01930848
16.56866014 -3.73173436 -0.55623211
0.00031098 0.00013721 -0.00026342
-0.00938273 -0.01101668 -0.00148130
13.02714232 7.96407793 10.07119034
0.00026626 0.00005097 0.00006652
0.00428741 0.00681434 0.03090057
1.58454754 -14.00326008 17.64337702
-0.00004289 -0.00009891 -0.00006952
0.02166306 0.03309527 0.00920774
-4.10353131 -0.71584519 -14.25020753
0.00048301 -0.00008868 0.00030459
0.02242992 -0.00305806 -0.04707296
15.10234702 -7.68791541 -8.89658240
-0.00001943 0.00046803 0.00017533
-0.01137258 -0.00843654 -0.04747375
8.46287615 -6.96865647 8.80899876
-0.00023772 -0.00011815 0.00013133
0.02702365 0.00016404 -0.00914195
-21.20769206 2.28972584 22.72399976
0.00018231 -0.00006161 0.00010855
0.00580552 0.00546416 0.05165660
25.69786975 -3.25754669 -8.03755772
-0.00006845 -0.00006839 -0.00020775
0.00875492 0.00261771 0.00020100
9.85047159 -14.04441778 -8.08789135
0.00008086 0.00016540 -0.00049206
0.00799538 0.02712188 -0.00683821
-6.68041513 -12.44552305 16.95380642
-0.00020457 -0.00001329 0.00017255
0.01556434 0.01362102 -0.00816686
8.03453142 3.28516994 -29.35843484
-0.00034606 -0.00048941 0.00004790
-0.00463724 0.01248816 0.00262353
10.85704127 15.38097632 15.34812074
0.00012799 0.00008846 0.00010809
0.03853653 0.03880768 0.02493039
28.65303913 6.12311980 -3.29416235
0.00022520 0.00022382 -0.00020080
-0.01042935 0.01107977 0.00757032
5.45998632 -31.29573081 -3.27718375
0.00008638 -0.00054717 -0.00064592
0.00051780 -0.00413860 -0.00622192
4.31814961 -31.50420133 -0.53939219
0.00077199 0.00059750 0.00063818
-0.00301635 0.00376806 -0.00495287
-11.68042767 -3.56725904 -8.68137656
-0.00031703 0.00075093 -0.00032284
-0.00525722 0.01355586 -0.01141259
-12.58905621 -1.43842423 -10.71593362
0.00059000 0.00073116 0.00032713
0.00515832 -0.00920906 0.00830312
-39.01766704 2.00221900 0.91469055
0.00000819 -0.00015406 0.00026637
-0.02251385 -0.00644575 0.01819681
-37.93013760 3.91142374 -0.89957473
0.00008337 -0.00106687 0.00052337
0.00299645 0.00459899 -0.00311204
-10.51151590 -5.53579228 3.58222089
-0.00061021 0.00074742 -0.00015587
-0.01072568 -0.00343728 -0.00101695
-10.58695931 -2.69656631 3.62348992
-0.00073879 -0.00026960 0.00015726
-0.00733733 -0.00401660 0.00378181
4.92797861 -2.42143524 8.31648852
-0.00100375 -0.00012906 0.00030958
-0.01224129 -0.02474468 0.01761301
4.61544007 -3.58414870 11.00675161
-0.00097419 -0.00001548 -0.00032734
-0.00851191 -0.00413869 -0.01016445
-33.44541801 -1.70014580 -0.60097007
-0.00057886 0.00029691 0.00074019
-0.00938668 0.00322539 0.00729033
-32.67050147 0.80402509 0.94877740
-0.00028338 0.00066308 0.00040735
0.00431365 -0.02732131 -0.03291613
14.45439996 12.60694280 -15.64055029
-0.00098849 0.00005399 -0.00124239
-0.01077073 0.00502307 -0.00188024
16.22841274 12.04531568 -13.50761103
-0.00115207 0.00096560 -0.00014494
0.00392891 0.00275224 0.00350653
-8.72458370 7.20165774 1.65122330
0.00028461 0.00009306 0.00018421
-0.00717256 0.01209757 -0.01447022
-7.43077080 4.70915499 1.43519799
-0.00017956 0.00145232 0.00025619
0.00499348 -0.02312991 -0.02695800
6.08534951 12.30783462 -6.97274083
-0.00016016 0.00003031 -0.00027662
0.01680262 0.00373194 0.00843607
8.77574798 13.62538107 -6.70389522
-0.00012159 -0.00031899 0.00048094
0.01905642 0.01350170 -0.01404722
8.48984964 8.87352513 -20.43589185
0.00020742 0.00020489 0.00052313
-0.00224465 -0.00548537 0.00529346
9.93131338 11.17276508 -19.70429752
-0.00045616 -0.00052288 -0.00025871
0.01343033 0.00061224 0.01048176
23.73730031 15.54358185 -2.60319283
0.00054414 -0.00054165 -0.00036424
0.00824298 0.01730900 -0.00004428
24.92970500 18.22190294 -2.24090495
-0.00043787 0.00013598 -0.00003763
-0.00421798 0.00104251 -0.01004728
1.60562803 16.81823119 -21.31225311
0.00057926 0.00019037 -0.00130282
-0.00364166 -0.00370228 -0.01890775
3.25826188 15.39706141 -19.22301877
0.00067662 0.00107278 -0.00100929
0.00326416 -0.01046848 -0.00540769
12.53935152 -0.64047999 -6.59322518
-0.00086184 -0.00073774 0.00009557
0.00553900 -0.01047348 -0.01500946
13.32910780 -1.09691228 -3.94293247
0.00002256 0.00067377 -0.00071296
0.00853065 -0.00277260 -0.00461393
-17.52993035 -2.51744602 2.61650804
-0.00013723 0.00154424 -0.00066058
0.03238213 0.01273170 0.02093680
-14.59046314 -2.48463322 3.50367750
0.00006455 0.00019694 -0.00081574
-0.00331587 -0.01432395 -0.01076738
-16.47233128 -0.53154079 20.22051221
-0.00088981 -0.00055084 0.00012206
0.00396123 -0.01383716 -0.01751546
-15.39717153 -3.26448743 19.55585881
0.00005581 0.00011341 0.00034752
-0.01820979 0.02609789 -0.00631570
-0.65191257 0.41889547 -5.00298051
0.00074473 -0.00065594 0.00050361
0.00661402 0.02350431 -0.00031801
-0.65001767 3.47292593 -4.98698549
0.00008230 0.00011539 0.00011056
-0.02483005 0.01390544 0.00004474
23.55717674 -8.68547173 -9.12555316
-0.00024227 0.00066581 0.00032685
-0.00922237 -0.01750553 -0.00559305
24.03868335 -6.00171689 -8.75936558
0.00016515 -0.00035702 0.00008255
-0.00055547 0.02300575 0.00749912
0.24910377 -6.09289332 5.70050378
-0.00023530 -0.00052378 -0.00027556
0.01133363 0.00505473 -0.00367560
0.30683449 -5.78531750 8.67745236
0.00078290 -0.00154427 -0.00012470
0.00603136 0.00265352 -0.01044569
-0.69296402 -2.78150930 -18.98022834
0.00087989 -0.00045296 -0.00076888
0.01217923 -0.02489272 -0.00198912
-3.00596311 -1.80096034 -20.59957872
0.00046703 -0.00002439 0.00041793
-0.00575014 -0.01326918 -0.00601045
2.56132335 2.48961306 -10.98786264
-0.00013151 0.00104082 0.00032184
0.01294184 -0.00230170 0.02860047
2.19476053 2.64236643 -7.95564720
-0.00037130 -0.00057073 0.00081496
-0.01158224 -0.00508065 0.00521829
-2.26193500 16.66568720 12.41102412
0.00004284 0.00056088 0.00001138
-0.03125325 0.02109562 -0.00072788
-3.46741065 19.02602498 13.58286527
-0.00014227 -0.00131832 0.00056919
-0.00162177 0.01299889 0.01655519
-5.00578742 6.37918497 -11.55975773
-0.00152333 0.00088182 0.00126086
0.00904578 -0.02033437 -0.00308486
-3.69631476 3.73522759 -12.42425316
-0.00081975 -0.00120718 -0.00073104
-0.00517343 0.00963113 0.00515522
-7.74032360 2.10199164 -7.37552757
0.00060190 0.00008587 -0.00038249
-0.00247214 -0.00422072 -0.00131965
-6.31173293 3.39524025 -9.37844079
0.00104580 -0.00016745 -0.00002823
0.03022619 0.01170049 -0.01216500
2.73151445 28.24284659 7.04907234
0.00051325 -0.00061103 0.00083058
-0.00520010 -0.00146500 0.00109678
0.79571280 28.21121210 9.26299641
0.00027379 0.00104921 0.00012751
-0.01064944 0.00734182 -0.00072524
10.65318363 -7.46994747 -0.81462491
0.00038077 -0.00039484 0.00036920
-0.00245615 0.00554959 -0.00017440
8.61383395 -7.14556609 -2.92075286
-0.00050781 0.00013098 -0.00021296
-0.00124601 -0.00630282 0.00412618
-6.96676174 0.59542993 6.38073380
0.00038575 -0.00029757 0.00081737
0.00913002 -0.01347198 0.01067674
-9.64565947 -0.57054853 6.98189804
-0.00023973 0.00068265 0.00050658
0.02161523 0.02833807 -0.01427840
21.75916311 10.17668370 9.87031867
-0.00035466 0.00067598 0.00033634
-0.00881370 0.00600318 0.00460252
21.01353779 12.46094802 8.25975801
-0.00001999 0.00108785 0.00000056
-0.01120650 -0.00480359 0.00325969
-1.45953319 -3.65215438 -26.52214542
0.00035345 0.00105700 -0.00037526
-0.00078459 0.02140830 -0.00449549
-3.94830327 -2.15417462 -26.83780150
0.00117066 0.00023810 -0.00020346
-0.02805453 0.00237485 0.01088061
-13.90406516 7.16362129 9.20675600
0.00035993 0.00002565 0.00005776
-0.00525319 0.00707408 -0.00334376
-15.47333889 7.09556705 6.70004939
-0.00014652 0.00003045 0.00083104
-0.00240953 0.01405768 -0.00055635
-11.27969819 7.44703055 -3.09668087
0.00011937 0.00071648 0.00138937
0.00156451 0.00011379 -0.00147130
-8.45846962 8.30141346 -3.65746675
0.00050739 -0.00035720 0.00061085
-0.01785167 -0.00911188 0.00794787
-1.05871687 -17.16216794 23.24557107
0.00096758 0.00051793 -0.00073269
-0.00259624 -0.00604349 -0.00231197
-3.55120266 -15.64098616 24.00848832
-0.00178579 0.00056660 -0.00029469
-0.00385229 -0.00359645 0.00165856
-2.25850613 6.15253165 -7.99962857
0.00049388 0.00059661 0.00009164
-0.00698513 -0.00276333 -0.02144592
-4.18997228 7.25517851 -6.09689726
-0.00042516 -0.00136802 0.00052886
-0.02457247 0.01565370 0.00059209
-21.36058033 30.05625510 3.04751064
-0.00004595 -0.00114247 0.00004164
0.01712476 0.01608693 0.01206397
-21.23385872 31.33213005 5.69846714
0.00009218 -0.00081425 0.00082374
0.01912368 -0.00026468 -0.02556425
7.09653302 -0.32116322 6.05918554
-0.00032848 -0.00057658 -0.00081812
-0.00328258 0.02092157 0.00605961
7.68080634 1.98142988 8.05795678
0.00004093 0.00022464 0.00006813
-0.00889630 0.01184699 -0.00977879
7.08181773 12.69080661 -14.13441310
0.00034016 0.00025284 0.00016084
0.00317258 0.00919667 0.01084624
4.31503523 11.80991740 -14.94643403
0.00072422 -0.00014221 0.00037333
0.04546399 -0.00411719 0.03730746
14.45646743 3.71136685 -3.06973376
-0.00023892 -0.00016054 0.00044837
-0.00117325 0.00105583 0.00610006
15.01138714 1.02545483 -1.94071710
-0.00023677 0.00043538 -0.00016689
0.00670368 0.02819784 0.00154865
-2.63016474 13.18397152 -0.38814852
-0.00021223 -0.00047724 -0.00038333
-0.00159515 -0.00152979 -0.00283322
-5.35645941 12.89054440 0.60725068
-0.00057675 0.00041307 -0.00010438
-0.00150960 0.00478881 -0.00894357
3.68784517 10.70210011 3.55720987
-0.00040989 0.00063242 -0.00026192
0.01132736 0.03895255 -0.01675351
6.40897992 11.89728411 3.04190612
0.00067277 -0.00083728 -0.00062646
-0.00238749 -0.00059916 0.00543622
25.16119773 -12.64358254 -8.28062180
0.00023450 0.00061774 0.00024422
0.00533108 -0.00513380 -0.00480847
26.56230527 -11.58015074 -11.04764552
0.00043734 -0.00039433 0.00021582
-0.02726043 -0.00075432 0.02587621
14.70184888 -3.81704747 -0.49872296
0.00022891 0.00063239 0.00114119
0.02872227 -0.00003748 0.00255637
17.20540369 -5.51071907 -0.66733140
-0.00049462 0.00063686 0.00042303
-0.01343037 0.01554520 -0.00015533
12.41482598 8.05816264 11.87719072
-0.00014094 0.00007575 0.00080709
0.00002395 -0.01020313 -0.02687577
13.46209457 9.73904789 9.75747056
0.00015544 0.00003103 0.00076174
-0.00461859 -0.00552017 -0.01215307
-0.10701702 -14.52079571 17.21470747
0.00017194 -0.00102137 -0.00000902
-0.01627619 -0.00534149 -0.00322236
1.43351598 -12.25916412 18.30616329
0.00028479 -0.00001813 0.00029234
0.00533946 -0.02311224 -0.00615751
-3.82433251 -2.36948376 -13.50737004
-0.00039839 0.00071494 0.00041318
-0.00414463 0.00205009 0.00847629
-3.30360939 -0.94645613 -16.00120884
0.00011783 -0.00077516 -0.00064450
-0.01285629 0.00622108 0.03459314
14.33206336 -8.22760237 -10.58067197
0.00107893 -0.00006423 -0.00057181
0.01381159 0.00980967 0.03346872
16.41173269 -6.38177398 -9.52683571
-0.00073176 -0.00018867 0.00017762
-0.01364989 -0.00588849 0.02058767
6.99414210 -5.88979094 8.92108249
-0.00051612 -0.00108754 -0.00060224
-0.01204756 0.00915568 -0.00155130
9.47019142 -6.32482976 7.42174445
0.00019444 -0.00141766 0.00105332
-0.00182820 0.00390204 0.00484644
-21.66981093 2.01859544 21.03201368
-0.00063931 0.00018702 0.00010117
-0.00776585 -0.01112028 -0.03356994
-22.04844233 1.04076984 23.86754402
-0.00057171 0.00109608 0.00060550
0.00394736 0.00830795 -0.02227731
26.68869632 -2.99234342 -6.52911684
0.00004640 0.00018126 -0.00052257
0.00035262 0.00067497 0.00512858
25.20938643 -1.54806063 -8.49303350
0.00013613 0.00041646 -0.00042670
-0.00274715 0.00750089 -0.00238057
9.39180552 -15.71725342 -7.66819012
0.00083351 0.00062045 0.00002225
-0.00499261 -0.02496601 0.00740416
9.07992159 -12.88958007 -6.88868933
0.00049670 -0.00030825 0.00054561
-0.00026788 -0.00078610 -0.00207475
-5.96696642 -11.20719134 18.09458805
-0.00057334 -0.00092072 -0.00004747
0.00584661 0.00165616 0.00604383
-7.23315855 -11.40199443 15.56456134
0.00042708 -0.00025975 -0.00020200
-0.00237462 0.00322092 -0.00725584
8.47586642 1.53265358 -29.30375387
-0.00017573 0.00033492 0.00013169
0.00143331 -0.00837054 -0.00546864
6.32919296 3.39934206 -30.04146068
-0.00115863 0.00035615 0.00063412
0.00126893 -0.01234983 -0.00674026
12.65137643 15.48822993 14.57705953
0.00052520 0.00014860 0.00067944
-0.01402872 -0.01367551 0.00299097
11.12524659 15.85796420 17.19638478
0.00030931 -0.00021850 -0.00052672
-0.00427745 -0.00657301 -0.03655012
29.32809803 4.82889621 -4.38522706
-0.00053812 -0.00005367 -0.00037176
0.00509205 -0.00605984 -0.00879052
26.92610246 6.40133898 -3.89262581
-0.00027087 -0.00014749 -0.00061214
0.00293065 0.00480402 0.00542636
-9.94129463 4.84839885 6.71600960
0.00000469 0.00001074 -0.00024374
-0.00268620 0.01150813 0.00069644
-8.71988417 13.31338878 2.59624583
-0.00007851 0.00006992 -0.00000205
-0.00303102 -0.00055659 -0.00084274
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09567397
0.30856557
411.14815363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.966 s
total exchange = -52.3645099907 (a.u.)
total exchange computation time: 2.7188949585 s
-154.1317398740
-931.40477936
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.3646046054 (a.u.)
total exchange computation time: 2.7190430164 s
-154.1321126211
Anderson extrapolation: theta=1.3993597607 (1.3993597607)
-931.40497312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.967 s
total exchange = -52.3646210179 (a.u.)
total exchange computation time: 2.7200081348 s
-154.1333101637
Anderson extrapolation: theta=0.0704698141 (0.0704698141)
-931.40509905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.3645248103 (a.u.)
total exchange computation time: 2.7186388969 s
-154.1339827012
Anderson extrapolation: theta=2.3530237920 (2.0000000000)
-931.40510684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.962 s
total exchange = -52.3642923376 (a.u.)
total exchange computation time: 2.7219901085 s
-154.1354805798
Anderson extrapolation: theta=0.4345124277 (0.4345124277)
-931.40511764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.3641817718 (a.u.)
total exchange computation time: 2.7179398537 s
-154.1360857120
Anderson extrapolation: theta=1.0121865063 (1.0121865063)
-931.40512110
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.963 s
total exchange = -52.3640856197 (a.u.)
total exchange computation time: 2.7213158607 s
-154.1365060445
Anderson extrapolation: theta=0.5812961280 (0.5812961280)
-931.40512384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.965 s
total exchange = -52.3640520118 (a.u.)
total exchange computation time: 2.7188291550 s
-154.1365430963
Anderson extrapolation: theta=0.7634963540 (0.7634963540)
-931.40512509
-116.267886 66.840374 142.150136
559.586280 1031.398010 -411.094628
443.318393 1098.238383 -268.944492
1214.491615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.964 s
total exchange = -52.3640462268 (a.u.)
total exchange computation time: 2.7213637829 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.967 s
total exchange = -52.3640462268 (a.u.)
total exchange computation time: 2.7192049026 s
[qbox] save md115.xml
SampleWriter: write time: 1.022 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1487.80 MB/s
[qbox] End of command stream
5610.70
2013-11-11T08:51:26Z