============================
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
Q1G-I5-J04.mira.i2b
2013-11-11T08:57:36Z
Task 0 of 4096 (0,0,0,0,0,0) R15-M1-N08-J04
Task 1 of 4096 (0,0,0,0,0,1) R15-M1-N08-J04
Task 2 of 4096 (0,0,0,0,0,2) R15-M1-N08-J04
Task 3 of 4096 (0,0,0,0,0,3) R15-M1-N08-J04
Task 4 of 4096 (0,0,0,0,0,4) R15-M1-N08-J04
Task 5 of 4096 (0,0,0,0,0,5) R15-M1-N08-J04
Task 6 of 4096 (0,0,0,0,0,6) R15-M1-N08-J04
Task 7 of 4096 (0,0,0,0,0,7) R15-M1-N08-J04
Task 8 of 4096 (0,0,0,0,0,8) R15-M1-N08-J04
Task 9 of 4096 (0,0,0,0,0,9) R15-M1-N08-J04
Task 10 of 4096 (0,0,0,0,0,10) R15-M1-N08-J04
Task 11 of 4096 (0,0,0,0,0,11) R15-M1-N08-J04
Task 12 of 4096 (0,0,0,0,0,12) R15-M1-N08-J04
Task 13 of 4096 (0,0,0,0,0,13) R15-M1-N08-J04
Task 14 of 4096 (0,0,0,0,0,14) R15-M1-N08-J04
Task 15 of 4096 (0,0,0,0,0,15) R15-M1-N08-J04
Task 16 of 4096 (0,0,0,0,1,0) R15-M1-N08-J03
Task 17 of 4096 (0,0,0,0,1,1) R15-M1-N08-J03
Task 18 of 4096 (0,0,0,0,1,2) R15-M1-N08-J03
Task 19 of 4096 (0,0,0,0,1,3) R15-M1-N08-J03
Task 20 of 4096 (0,0,0,0,1,4) R15-M1-N08-J03
Task 21 of 4096 (0,0,0,0,1,5) R15-M1-N08-J03
Task 22 of 4096 (0,0,0,0,1,6) R15-M1-N08-J03
Task 23 of 4096 (0,0,0,0,1,7) R15-M1-N08-J03
Task 24 of 4096 (0,0,0,0,1,8) R15-M1-N08-J03
Task 25 of 4096 (0,0,0,0,1,9) R15-M1-N08-J03
Task 26 of 4096 (0,0,0,0,1,10) R15-M1-N08-J03
Task 27 of 4096 (0,0,0,0,1,11) R15-M1-N08-J03
Task 28 of 4096 (0,0,0,0,1,12) R15-M1-N08-J03
Task 29 of 4096 (0,0,0,0,1,13) R15-M1-N08-J03
Task 30 of 4096 (0,0,0,0,1,14) R15-M1-N08-J03
Task 31 of 4096 (0,0,0,0,1,15) R15-M1-N08-J03
Task 32 of 4096 (0,0,0,1,0,0) R15-M1-N08-J08
Task 33 of 4096 (0,0,0,1,0,1) R15-M1-N08-J08
Task 34 of 4096 (0,0,0,1,0,2) R15-M1-N08-J08
Task 35 of 4096 (0,0,0,1,0,3) R15-M1-N08-J08
Task 36 of 4096 (0,0,0,1,0,4) R15-M1-N08-J08
Task 37 of 4096 (0,0,0,1,0,5) R15-M1-N08-J08
Task 38 of 4096 (0,0,0,1,0,6) R15-M1-N08-J08
Task 39 of 4096 (0,0,0,1,0,7) R15-M1-N08-J08
Task 40 of 4096 (0,0,0,1,0,8) R15-M1-N08-J08
Task 41 of 4096 (0,0,0,1,0,9) R15-M1-N08-J08
Task 42 of 4096 (0,0,0,1,0,10) R15-M1-N08-J08
Task 43 of 4096 (0,0,0,1,0,11) R15-M1-N08-J08
Task 44 of 4096 (0,0,0,1,0,12) R15-M1-N08-J08
Task 45 of 4096 (0,0,0,1,0,13) R15-M1-N08-J08
Task 46 of 4096 (0,0,0,1,0,14) R15-M1-N08-J08
Task 47 of 4096 (0,0,0,1,0,15) R15-M1-N08-J08
Task 48 of 4096 (0,0,0,1,1,0) R15-M1-N08-J15
Task 49 of 4096 (0,0,0,1,1,1) R15-M1-N08-J15
Task 50 of 4096 (0,0,0,1,1,2) R15-M1-N08-J15
Task 51 of 4096 (0,0,0,1,1,3) R15-M1-N08-J15
Task 52 of 4096 (0,0,0,1,1,4) R15-M1-N08-J15
Task 53 of 4096 (0,0,0,1,1,5) R15-M1-N08-J15
Task 54 of 4096 (0,0,0,1,1,6) R15-M1-N08-J15
Task 55 of 4096 (0,0,0,1,1,7) R15-M1-N08-J15
Task 56 of 4096 (0,0,0,1,1,8) R15-M1-N08-J15
Task 57 of 4096 (0,0,0,1,1,9) R15-M1-N08-J15
Task 58 of 4096 (0,0,0,1,1,10) R15-M1-N08-J15
Task 59 of 4096 (0,0,0,1,1,11) R15-M1-N08-J15
Task 60 of 4096 (0,0,0,1,1,12) R15-M1-N08-J15
Task 61 of 4096 (0,0,0,1,1,13) R15-M1-N08-J15
Task 62 of 4096 (0,0,0,1,1,14) R15-M1-N08-J15
Task 63 of 4096 (0,0,0,1,1,15) R15-M1-N08-J15
Task 64 of 4096 (0,0,0,2,0,0) R15-M1-N10-J08
Task 65 of 4096 (0,0,0,2,0,1) R15-M1-N10-J08
Task 66 of 4096 (0,0,0,2,0,2) R15-M1-N10-J08
Task 67 of 4096 (0,0,0,2,0,3) R15-M1-N10-J08
Task 68 of 4096 (0,0,0,2,0,4) R15-M1-N10-J08
Task 69 of 4096 (0,0,0,2,0,5) R15-M1-N10-J08
Task 70 of 4096 (0,0,0,2,0,6) R15-M1-N10-J08
Task 71 of 4096 (0,0,0,2,0,7) R15-M1-N10-J08
Task 72 of 4096 (0,0,0,2,0,8) R15-M1-N10-J08
Task 73 of 4096 (0,0,0,2,0,9) R15-M1-N10-J08
Task 74 of 4096 (0,0,0,2,0,10) R15-M1-N10-J08
Task 75 of 4096 (0,0,0,2,0,11) R15-M1-N10-J08
Task 76 of 4096 (0,0,0,2,0,12) R15-M1-N10-J08
Task 77 of 4096 (0,0,0,2,0,13) R15-M1-N10-J08
Task 78 of 4096 (0,0,0,2,0,14) R15-M1-N10-J08
Task 79 of 4096 (0,0,0,2,0,15) R15-M1-N10-J08
Task 80 of 4096 (0,0,0,2,1,0) R15-M1-N10-J15
Task 81 of 4096 (0,0,0,2,1,1) R15-M1-N10-J15
Task 82 of 4096 (0,0,0,2,1,2) R15-M1-N10-J15
Task 83 of 4096 (0,0,0,2,1,3) R15-M1-N10-J15
Task 84 of 4096 (0,0,0,2,1,4) R15-M1-N10-J15
Task 85 of 4096 (0,0,0,2,1,5) R15-M1-N10-J15
Task 86 of 4096 (0,0,0,2,1,6) R15-M1-N10-J15
Task 87 of 4096 (0,0,0,2,1,7) R15-M1-N10-J15
Task 88 of 4096 (0,0,0,2,1,8) R15-M1-N10-J15
Task 89 of 4096 (0,0,0,2,1,9) R15-M1-N10-J15
Task 90 of 4096 (0,0,0,2,1,10) R15-M1-N10-J15
Task 91 of 4096 (0,0,0,2,1,11) R15-M1-N10-J15
Task 92 of 4096 (0,0,0,2,1,12) R15-M1-N10-J15
Task 93 of 4096 (0,0,0,2,1,13) R15-M1-N10-J15
Task 94 of 4096 (0,0,0,2,1,14) R15-M1-N10-J15
Task 95 of 4096 (0,0,0,2,1,15) R15-M1-N10-J15
Task 96 of 4096 (0,0,0,3,0,0) R15-M1-N10-J04
Task 97 of 4096 (0,0,0,3,0,1) R15-M1-N10-J04
Task 98 of 4096 (0,0,0,3,0,2) R15-M1-N10-J04
Task 99 of 4096 (0,0,0,3,0,3) R15-M1-N10-J04
Task 100 of 4096 (0,0,0,3,0,4) R15-M1-N10-J04
Task 101 of 4096 (0,0,0,3,0,5) R15-M1-N10-J04
Task 102 of 4096 (0,0,0,3,0,6) R15-M1-N10-J04
Task 103 of 4096 (0,0,0,3,0,7) R15-M1-N10-J04
Task 104 of 4096 (0,0,0,3,0,8) R15-M1-N10-J04
Task 105 of 4096 (0,0,0,3,0,9) R15-M1-N10-J04
Task 106 of 4096 (0,0,0,3,0,10) R15-M1-N10-J04
Task 107 of 4096 (0,0,0,3,0,11) R15-M1-N10-J04
Task 108 of 4096 (0,0,0,3,0,12) R15-M1-N10-J04
Task 109 of 4096 (0,0,0,3,0,13) R15-M1-N10-J04
Task 110 of 4096 (0,0,0,3,0,14) R15-M1-N10-J04
Task 111 of 4096 (0,0,0,3,0,15) R15-M1-N10-J04
Task 112 of 4096 (0,0,0,3,1,0) R15-M1-N10-J03
Task 113 of 4096 (0,0,0,3,1,1) R15-M1-N10-J03
Task 114 of 4096 (0,0,0,3,1,2) R15-M1-N10-J03
Task 115 of 4096 (0,0,0,3,1,3) R15-M1-N10-J03
Task 116 of 4096 (0,0,0,3,1,4) R15-M1-N10-J03
Task 117 of 4096 (0,0,0,3,1,5) R15-M1-N10-J03
Task 118 of 4096 (0,0,0,3,1,6) R15-M1-N10-J03
Task 119 of 4096 (0,0,0,3,1,7) R15-M1-N10-J03
Task 120 of 4096 (0,0,0,3,1,8) R15-M1-N10-J03
Task 121 of 4096 (0,0,0,3,1,9) R15-M1-N10-J03
Task 122 of 4096 (0,0,0,3,1,10) R15-M1-N10-J03
Task 123 of 4096 (0,0,0,3,1,11) R15-M1-N10-J03
Task 124 of 4096 (0,0,0,3,1,12) R15-M1-N10-J03
Task 125 of 4096 (0,0,0,3,1,13) R15-M1-N10-J03
Task 126 of 4096 (0,0,0,3,1,14) R15-M1-N10-J03
Task 127 of 4096 (0,0,0,3,1,15) R15-M1-N10-J03
Task 128 of 4096 (0,0,1,0,0,0) R15-M1-N08-J05
Task 129 of 4096 (0,0,1,0,0,1) R15-M1-N08-J05
Task 130 of 4096 (0,0,1,0,0,2) R15-M1-N08-J05
Task 131 of 4096 (0,0,1,0,0,3) R15-M1-N08-J05
Task 132 of 4096 (0,0,1,0,0,4) R15-M1-N08-J05
Task 133 of 4096 (0,0,1,0,0,5) R15-M1-N08-J05
Task 134 of 4096 (0,0,1,0,0,6) R15-M1-N08-J05
Task 135 of 4096 (0,0,1,0,0,7) R15-M1-N08-J05
Task 136 of 4096 (0,0,1,0,0,8) R15-M1-N08-J05
Task 137 of 4096 (0,0,1,0,0,9) R15-M1-N08-J05
Task 138 of 4096 (0,0,1,0,0,10) R15-M1-N08-J05
Task 139 of 4096 (0,0,1,0,0,11) R15-M1-N08-J05
Task 140 of 4096 (0,0,1,0,0,12) R15-M1-N08-J05
Task 141 of 4096 (0,0,1,0,0,13) R15-M1-N08-J05
Task 142 of 4096 (0,0,1,0,0,14) R15-M1-N08-J05
Task 143 of 4096 (0,0,1,0,0,15) R15-M1-N08-J05
Task 144 of 4096 (0,0,1,0,1,0) R15-M1-N08-J02
Task 145 of 4096 (0,0,1,0,1,1) R15-M1-N08-J02
Task 146 of 4096 (0,0,1,0,1,2) R15-M1-N08-J02
Task 147 of 4096 (0,0,1,0,1,3) R15-M1-N08-J02
Task 148 of 4096 (0,0,1,0,1,4) R15-M1-N08-J02
Task 149 of 4096 (0,0,1,0,1,5) R15-M1-N08-J02
Task 150 of 4096 (0,0,1,0,1,6) R15-M1-N08-J02
Task 151 of 4096 (0,0,1,0,1,7) R15-M1-N08-J02
Task 152 of 4096 (0,0,1,0,1,8) R15-M1-N08-J02
Task 153 of 4096 (0,0,1,0,1,9) R15-M1-N08-J02
Task 154 of 4096 (0,0,1,0,1,10) R15-M1-N08-J02
Task 155 of 4096 (0,0,1,0,1,11) R15-M1-N08-J02
Task 156 of 4096 (0,0,1,0,1,12) R15-M1-N08-J02
Task 157 of 4096 (0,0,1,0,1,13) R15-M1-N08-J02
Task 158 of 4096 (0,0,1,0,1,14) R15-M1-N08-J02
Task 159 of 4096 (0,0,1,0,1,15) R15-M1-N08-J02
Task 160 of 4096 (0,0,1,1,0,0) R15-M1-N08-J09
Task 161 of 4096 (0,0,1,1,0,1) R15-M1-N08-J09
Task 162 of 4096 (0,0,1,1,0,2) R15-M1-N08-J09
Task 163 of 4096 (0,0,1,1,0,3) R15-M1-N08-J09
Task 164 of 4096 (0,0,1,1,0,4) R15-M1-N08-J09
Task 165 of 4096 (0,0,1,1,0,5) R15-M1-N08-J09
Task 166 of 4096 (0,0,1,1,0,6) R15-M1-N08-J09
Task 167 of 4096 (0,0,1,1,0,7) R15-M1-N08-J09
Task 168 of 4096 (0,0,1,1,0,8) R15-M1-N08-J09
Task 169 of 4096 (0,0,1,1,0,9) R15-M1-N08-J09
Task 170 of 4096 (0,0,1,1,0,10) R15-M1-N08-J09
Task 171 of 4096 (0,0,1,1,0,11) R15-M1-N08-J09
Task 172 of 4096 (0,0,1,1,0,12) R15-M1-N08-J09
Task 173 of 4096 (0,0,1,1,0,13) R15-M1-N08-J09
Task 174 of 4096 (0,0,1,1,0,14) R15-M1-N08-J09
Task 175 of 4096 (0,0,1,1,0,15) R15-M1-N08-J09
Task 176 of 4096 (0,0,1,1,1,0) R15-M1-N08-J14
Task 177 of 4096 (0,0,1,1,1,1) R15-M1-N08-J14
Task 178 of 4096 (0,0,1,1,1,2) R15-M1-N08-J14
Task 179 of 4096 (0,0,1,1,1,3) R15-M1-N08-J14
Task 180 of 4096 (0,0,1,1,1,4) R15-M1-N08-J14
Task 181 of 4096 (0,0,1,1,1,5) R15-M1-N08-J14
Task 182 of 4096 (0,0,1,1,1,6) R15-M1-N08-J14
Task 183 of 4096 (0,0,1,1,1,7) R15-M1-N08-J14
Task 184 of 4096 (0,0,1,1,1,8) R15-M1-N08-J14
Task 185 of 4096 (0,0,1,1,1,9) R15-M1-N08-J14
Task 186 of 4096 (0,0,1,1,1,10) R15-M1-N08-J14
Task 187 of 4096 (0,0,1,1,1,11) R15-M1-N08-J14
Task 188 of 4096 (0,0,1,1,1,12) R15-M1-N08-J14
Task 189 of 4096 (0,0,1,1,1,13) R15-M1-N08-J14
Task 190 of 4096 (0,0,1,1,1,14) R15-M1-N08-J14
Task 191 of 4096 (0,0,1,1,1,15) R15-M1-N08-J14
Task 192 of 4096 (0,0,1,2,0,0) R15-M1-N10-J09
Task 193 of 4096 (0,0,1,2,0,1) R15-M1-N10-J09
Task 194 of 4096 (0,0,1,2,0,2) R15-M1-N10-J09
Task 195 of 4096 (0,0,1,2,0,3) R15-M1-N10-J09
Task 196 of 4096 (0,0,1,2,0,4) R15-M1-N10-J09
Task 197 of 4096 (0,0,1,2,0,5) R15-M1-N10-J09
Task 198 of 4096 (0,0,1,2,0,6) R15-M1-N10-J09
Task 199 of 4096 (0,0,1,2,0,7) R15-M1-N10-J09
Task 200 of 4096 (0,0,1,2,0,8) R15-M1-N10-J09
Task 201 of 4096 (0,0,1,2,0,9) R15-M1-N10-J09
Task 202 of 4096 (0,0,1,2,0,10) R15-M1-N10-J09
Task 203 of 4096 (0,0,1,2,0,11) R15-M1-N10-J09
Task 204 of 4096 (0,0,1,2,0,12) R15-M1-N10-J09
Task 205 of 4096 (0,0,1,2,0,13) R15-M1-N10-J09
Task 206 of 4096 (0,0,1,2,0,14) R15-M1-N10-J09
Task 207 of 4096 (0,0,1,2,0,15) R15-M1-N10-J09
Task 208 of 4096 (0,0,1,2,1,0) R15-M1-N10-J14
Task 209 of 4096 (0,0,1,2,1,1) R15-M1-N10-J14
Task 210 of 4096 (0,0,1,2,1,2) R15-M1-N10-J14
Task 211 of 4096 (0,0,1,2,1,3) R15-M1-N10-J14
Task 212 of 4096 (0,0,1,2,1,4) R15-M1-N10-J14
Task 213 of 4096 (0,0,1,2,1,5) R15-M1-N10-J14
Task 214 of 4096 (0,0,1,2,1,6) R15-M1-N10-J14
Task 215 of 4096 (0,0,1,2,1,7) R15-M1-N10-J14
Task 216 of 4096 (0,0,1,2,1,8) R15-M1-N10-J14
Task 217 of 4096 (0,0,1,2,1,9) R15-M1-N10-J14
Task 218 of 4096 (0,0,1,2,1,10) R15-M1-N10-J14
Task 219 of 4096 (0,0,1,2,1,11) R15-M1-N10-J14
Task 220 of 4096 (0,0,1,2,1,12) R15-M1-N10-J14
Task 221 of 4096 (0,0,1,2,1,13) R15-M1-N10-J14
Task 222 of 4096 (0,0,1,2,1,14) R15-M1-N10-J14
Task 223 of 4096 (0,0,1,2,1,15) R15-M1-N10-J14
Task 224 of 4096 (0,0,1,3,0,0) R15-M1-N10-J05
Task 225 of 4096 (0,0,1,3,0,1) R15-M1-N10-J05
Task 226 of 4096 (0,0,1,3,0,2) R15-M1-N10-J05
Task 227 of 4096 (0,0,1,3,0,3) R15-M1-N10-J05
Task 228 of 4096 (0,0,1,3,0,4) R15-M1-N10-J05
Task 229 of 4096 (0,0,1,3,0,5) R15-M1-N10-J05
Task 230 of 4096 (0,0,1,3,0,6) R15-M1-N10-J05
Task 231 of 4096 (0,0,1,3,0,7) R15-M1-N10-J05
Task 232 of 4096 (0,0,1,3,0,8) R15-M1-N10-J05
Task 233 of 4096 (0,0,1,3,0,9) R15-M1-N10-J05
Task 234 of 4096 (0,0,1,3,0,10) R15-M1-N10-J05
Task 235 of 4096 (0,0,1,3,0,11) R15-M1-N10-J05
Task 236 of 4096 (0,0,1,3,0,12) R15-M1-N10-J05
Task 237 of 4096 (0,0,1,3,0,13) R15-M1-N10-J05
Task 238 of 4096 (0,0,1,3,0,14) R15-M1-N10-J05
Task 239 of 4096 (0,0,1,3,0,15) R15-M1-N10-J05
Task 240 of 4096 (0,0,1,3,1,0) R15-M1-N10-J02
Task 241 of 4096 (0,0,1,3,1,1) R15-M1-N10-J02
Task 242 of 4096 (0,0,1,3,1,2) R15-M1-N10-J02
Task 243 of 4096 (0,0,1,3,1,3) R15-M1-N10-J02
Task 244 of 4096 (0,0,1,3,1,4) R15-M1-N10-J02
Task 245 of 4096 (0,0,1,3,1,5) R15-M1-N10-J02
Task 246 of 4096 (0,0,1,3,1,6) R15-M1-N10-J02
Task 247 of 4096 (0,0,1,3,1,7) R15-M1-N10-J02
Task 248 of 4096 (0,0,1,3,1,8) R15-M1-N10-J02
Task 249 of 4096 (0,0,1,3,1,9) R15-M1-N10-J02
Task 250 of 4096 (0,0,1,3,1,10) R15-M1-N10-J02
Task 251 of 4096 (0,0,1,3,1,11) R15-M1-N10-J02
Task 252 of 4096 (0,0,1,3,1,12) R15-M1-N10-J02
Task 253 of 4096 (0,0,1,3,1,13) R15-M1-N10-J02
Task 254 of 4096 (0,0,1,3,1,14) R15-M1-N10-J02
Task 255 of 4096 (0,0,1,3,1,15) R15-M1-N10-J02
Task 256 of 4096 (0,0,2,0,0,0) R15-M1-N09-J05
Task 257 of 4096 (0,0,2,0,0,1) R15-M1-N09-J05
Task 258 of 4096 (0,0,2,0,0,2) R15-M1-N09-J05
Task 259 of 4096 (0,0,2,0,0,3) R15-M1-N09-J05
Task 260 of 4096 (0,0,2,0,0,4) R15-M1-N09-J05
Task 261 of 4096 (0,0,2,0,0,5) R15-M1-N09-J05
Task 262 of 4096 (0,0,2,0,0,6) R15-M1-N09-J05
Task 263 of 4096 (0,0,2,0,0,7) R15-M1-N09-J05
Task 264 of 4096 (0,0,2,0,0,8) R15-M1-N09-J05
Task 265 of 4096 (0,0,2,0,0,9) R15-M1-N09-J05
Task 266 of 4096 (0,0,2,0,0,10) R15-M1-N09-J05
Task 267 of 4096 (0,0,2,0,0,11) R15-M1-N09-J05
Task 268 of 4096 (0,0,2,0,0,12) R15-M1-N09-J05
Task 269 of 4096 (0,0,2,0,0,13) R15-M1-N09-J05
Task 270 of 4096 (0,0,2,0,0,14) R15-M1-N09-J05
Task 271 of 4096 (0,0,2,0,0,15) R15-M1-N09-J05
Task 272 of 4096 (0,0,2,0,1,0) R15-M1-N09-J02
Task 273 of 4096 (0,0,2,0,1,1) R15-M1-N09-J02
Task 274 of 4096 (0,0,2,0,1,2) R15-M1-N09-J02
Task 275 of 4096 (0,0,2,0,1,3) R15-M1-N09-J02
Task 276 of 4096 (0,0,2,0,1,4) R15-M1-N09-J02
Task 277 of 4096 (0,0,2,0,1,5) R15-M1-N09-J02
Task 278 of 4096 (0,0,2,0,1,6) R15-M1-N09-J02
Task 279 of 4096 (0,0,2,0,1,7) R15-M1-N09-J02
Task 280 of 4096 (0,0,2,0,1,8) R15-M1-N09-J02
Task 281 of 4096 (0,0,2,0,1,9) R15-M1-N09-J02
Task 282 of 4096 (0,0,2,0,1,10) R15-M1-N09-J02
Task 283 of 4096 (0,0,2,0,1,11) R15-M1-N09-J02
Task 284 of 4096 (0,0,2,0,1,12) R15-M1-N09-J02
Task 285 of 4096 (0,0,2,0,1,13) R15-M1-N09-J02
Task 286 of 4096 (0,0,2,0,1,14) R15-M1-N09-J02
Task 287 of 4096 (0,0,2,0,1,15) R15-M1-N09-J02
Task 288 of 4096 (0,0,2,1,0,0) R15-M1-N09-J09
Task 289 of 4096 (0,0,2,1,0,1) R15-M1-N09-J09
Task 290 of 4096 (0,0,2,1,0,2) R15-M1-N09-J09
Task 291 of 4096 (0,0,2,1,0,3) R15-M1-N09-J09
Task 292 of 4096 (0,0,2,1,0,4) R15-M1-N09-J09
Task 293 of 4096 (0,0,2,1,0,5) R15-M1-N09-J09
Task 294 of 4096 (0,0,2,1,0,6) R15-M1-N09-J09
Task 295 of 4096 (0,0,2,1,0,7) R15-M1-N09-J09
Task 296 of 4096 (0,0,2,1,0,8) R15-M1-N09-J09
Task 297 of 4096 (0,0,2,1,0,9) R15-M1-N09-J09
Task 298 of 4096 (0,0,2,1,0,10) R15-M1-N09-J09
Task 299 of 4096 (0,0,2,1,0,11) R15-M1-N09-J09
Task 300 of 4096 (0,0,2,1,0,12) R15-M1-N09-J09
Task 301 of 4096 (0,0,2,1,0,13) R15-M1-N09-J09
Task 302 of 4096 (0,0,2,1,0,14) R15-M1-N09-J09
Task 303 of 4096 (0,0,2,1,0,15) R15-M1-N09-J09
Task 304 of 4096 (0,0,2,1,1,0) R15-M1-N09-J14
Task 305 of 4096 (0,0,2,1,1,1) R15-M1-N09-J14
Task 306 of 4096 (0,0,2,1,1,2) R15-M1-N09-J14
Task 307 of 4096 (0,0,2,1,1,3) R15-M1-N09-J14
Task 308 of 4096 (0,0,2,1,1,4) R15-M1-N09-J14
Task 309 of 4096 (0,0,2,1,1,5) R15-M1-N09-J14
Task 310 of 4096 (0,0,2,1,1,6) R15-M1-N09-J14
Task 311 of 4096 (0,0,2,1,1,7) R15-M1-N09-J14
Task 312 of 4096 (0,0,2,1,1,8) R15-M1-N09-J14
Task 313 of 4096 (0,0,2,1,1,9) R15-M1-N09-J14
Task 314 of 4096 (0,0,2,1,1,10) R15-M1-N09-J14
Task 315 of 4096 (0,0,2,1,1,11) R15-M1-N09-J14
Task 316 of 4096 (0,0,2,1,1,12) R15-M1-N09-J14
Task 317 of 4096 (0,0,2,1,1,13) R15-M1-N09-J14
Task 318 of 4096 (0,0,2,1,1,14) R15-M1-N09-J14
Task 319 of 4096 (0,0,2,1,1,15) R15-M1-N09-J14
Task 320 of 4096 (0,0,2,2,0,0) R15-M1-N11-J09
Task 321 of 4096 (0,0,2,2,0,1) R15-M1-N11-J09
Task 322 of 4096 (0,0,2,2,0,2) R15-M1-N11-J09
Task 323 of 4096 (0,0,2,2,0,3) R15-M1-N11-J09
Task 324 of 4096 (0,0,2,2,0,4) R15-M1-N11-J09
Task 325 of 4096 (0,0,2,2,0,5) R15-M1-N11-J09
Task 326 of 4096 (0,0,2,2,0,6) R15-M1-N11-J09
Task 327 of 4096 (0,0,2,2,0,7) R15-M1-N11-J09
Task 328 of 4096 (0,0,2,2,0,8) R15-M1-N11-J09
Task 329 of 4096 (0,0,2,2,0,9) R15-M1-N11-J09
Task 330 of 4096 (0,0,2,2,0,10) R15-M1-N11-J09
Task 331 of 4096 (0,0,2,2,0,11) R15-M1-N11-J09
Task 332 of 4096 (0,0,2,2,0,12) R15-M1-N11-J09
Task 333 of 4096 (0,0,2,2,0,13) R15-M1-N11-J09
Task 334 of 4096 (0,0,2,2,0,14) R15-M1-N11-J09
Task 335 of 4096 (0,0,2,2,0,15) R15-M1-N11-J09
Task 336 of 4096 (0,0,2,2,1,0) R15-M1-N11-J14
Task 337 of 4096 (0,0,2,2,1,1) R15-M1-N11-J14
Task 338 of 4096 (0,0,2,2,1,2) R15-M1-N11-J14
Task 339 of 4096 (0,0,2,2,1,3) R15-M1-N11-J14
Task 340 of 4096 (0,0,2,2,1,4) R15-M1-N11-J14
Task 341 of 4096 (0,0,2,2,1,5) R15-M1-N11-J14
Task 342 of 4096 (0,0,2,2,1,6) R15-M1-N11-J14
Task 343 of 4096 (0,0,2,2,1,7) R15-M1-N11-J14
Task 344 of 4096 (0,0,2,2,1,8) R15-M1-N11-J14
Task 345 of 4096 (0,0,2,2,1,9) R15-M1-N11-J14
Task 346 of 4096 (0,0,2,2,1,10) R15-M1-N11-J14
Task 347 of 4096 (0,0,2,2,1,11) R15-M1-N11-J14
Task 348 of 4096 (0,0,2,2,1,12) R15-M1-N11-J14
Task 349 of 4096 (0,0,2,2,1,13) R15-M1-N11-J14
Task 350 of 4096 (0,0,2,2,1,14) R15-M1-N11-J14
Task 351 of 4096 (0,0,2,2,1,15) R15-M1-N11-J14
Task 352 of 4096 (0,0,2,3,0,0) R15-M1-N11-J05
Task 353 of 4096 (0,0,2,3,0,1) R15-M1-N11-J05
Task 354 of 4096 (0,0,2,3,0,2) R15-M1-N11-J05
Task 355 of 4096 (0,0,2,3,0,3) R15-M1-N11-J05
Task 356 of 4096 (0,0,2,3,0,4) R15-M1-N11-J05
Task 357 of 4096 (0,0,2,3,0,5) R15-M1-N11-J05
Task 358 of 4096 (0,0,2,3,0,6) R15-M1-N11-J05
Task 359 of 4096 (0,0,2,3,0,7) R15-M1-N11-J05
Task 360 of 4096 (0,0,2,3,0,8) R15-M1-N11-J05
Task 361 of 4096 (0,0,2,3,0,9) R15-M1-N11-J05
Task 362 of 4096 (0,0,2,3,0,10) R15-M1-N11-J05
Task 363 of 4096 (0,0,2,3,0,11) R15-M1-N11-J05
Task 364 of 4096 (0,0,2,3,0,12) R15-M1-N11-J05
Task 365 of 4096 (0,0,2,3,0,13) R15-M1-N11-J05
Task 366 of 4096 (0,0,2,3,0,14) R15-M1-N11-J05
Task 367 of 4096 (0,0,2,3,0,15) R15-M1-N11-J05
Task 368 of 4096 (0,0,2,3,1,0) R15-M1-N11-J02
Task 369 of 4096 (0,0,2,3,1,1) R15-M1-N11-J02
Task 370 of 4096 (0,0,2,3,1,2) R15-M1-N11-J02
Task 371 of 4096 (0,0,2,3,1,3) R15-M1-N11-J02
Task 372 of 4096 (0,0,2,3,1,4) R15-M1-N11-J02
Task 373 of 4096 (0,0,2,3,1,5) R15-M1-N11-J02
Task 374 of 4096 (0,0,2,3,1,6) R15-M1-N11-J02
Task 375 of 4096 (0,0,2,3,1,7) R15-M1-N11-J02
Task 376 of 4096 (0,0,2,3,1,8) R15-M1-N11-J02
Task 377 of 4096 (0,0,2,3,1,9) R15-M1-N11-J02
Task 378 of 4096 (0,0,2,3,1,10) R15-M1-N11-J02
Task 379 of 4096 (0,0,2,3,1,11) R15-M1-N11-J02
Task 380 of 4096 (0,0,2,3,1,12) R15-M1-N11-J02
Task 381 of 4096 (0,0,2,3,1,13) R15-M1-N11-J02
Task 382 of 4096 (0,0,2,3,1,14) R15-M1-N11-J02
Task 383 of 4096 (0,0,2,3,1,15) R15-M1-N11-J02
Task 384 of 4096 (0,0,3,0,0,0) R15-M1-N09-J04
Task 385 of 4096 (0,0,3,0,0,1) R15-M1-N09-J04
Task 386 of 4096 (0,0,3,0,0,2) R15-M1-N09-J04
Task 387 of 4096 (0,0,3,0,0,3) R15-M1-N09-J04
Task 388 of 4096 (0,0,3,0,0,4) R15-M1-N09-J04
Task 389 of 4096 (0,0,3,0,0,5) R15-M1-N09-J04
Task 390 of 4096 (0,0,3,0,0,6) R15-M1-N09-J04
Task 391 of 4096 (0,0,3,0,0,7) R15-M1-N09-J04
Task 392 of 4096 (0,0,3,0,0,8) R15-M1-N09-J04
Task 393 of 4096 (0,0,3,0,0,9) R15-M1-N09-J04
Task 394 of 4096 (0,0,3,0,0,10) R15-M1-N09-J04
Task 395 of 4096 (0,0,3,0,0,11) R15-M1-N09-J04
Task 396 of 4096 (0,0,3,0,0,12) R15-M1-N09-J04
Task 397 of 4096 (0,0,3,0,0,13) R15-M1-N09-J04
Task 398 of 4096 (0,0,3,0,0,14) R15-M1-N09-J04
Task 399 of 4096 (0,0,3,0,0,15) R15-M1-N09-J04
Task 400 of 4096 (0,0,3,0,1,0) R15-M1-N09-J03
Task 401 of 4096 (0,0,3,0,1,1) R15-M1-N09-J03
Task 402 of 4096 (0,0,3,0,1,2) R15-M1-N09-J03
Task 403 of 4096 (0,0,3,0,1,3) R15-M1-N09-J03
Task 404 of 4096 (0,0,3,0,1,4) R15-M1-N09-J03
Task 405 of 4096 (0,0,3,0,1,5) R15-M1-N09-J03
Task 406 of 4096 (0,0,3,0,1,6) R15-M1-N09-J03
Task 407 of 4096 (0,0,3,0,1,7) R15-M1-N09-J03
Task 408 of 4096 (0,0,3,0,1,8) R15-M1-N09-J03
Task 409 of 4096 (0,0,3,0,1,9) R15-M1-N09-J03
Task 410 of 4096 (0,0,3,0,1,10) R15-M1-N09-J03
Task 411 of 4096 (0,0,3,0,1,11) R15-M1-N09-J03
Task 412 of 4096 (0,0,3,0,1,12) R15-M1-N09-J03
Task 413 of 4096 (0,0,3,0,1,13) R15-M1-N09-J03
Task 414 of 4096 (0,0,3,0,1,14) R15-M1-N09-J03
Task 415 of 4096 (0,0,3,0,1,15) R15-M1-N09-J03
Task 416 of 4096 (0,0,3,1,0,0) R15-M1-N09-J08
Task 417 of 4096 (0,0,3,1,0,1) R15-M1-N09-J08
Task 418 of 4096 (0,0,3,1,0,2) R15-M1-N09-J08
Task 419 of 4096 (0,0,3,1,0,3) R15-M1-N09-J08
Task 420 of 4096 (0,0,3,1,0,4) R15-M1-N09-J08
Task 421 of 4096 (0,0,3,1,0,5) R15-M1-N09-J08
Task 422 of 4096 (0,0,3,1,0,6) R15-M1-N09-J08
Task 423 of 4096 (0,0,3,1,0,7) R15-M1-N09-J08
Task 424 of 4096 (0,0,3,1,0,8) R15-M1-N09-J08
Task 425 of 4096 (0,0,3,1,0,9) R15-M1-N09-J08
Task 426 of 4096 (0,0,3,1,0,10) R15-M1-N09-J08
Task 427 of 4096 (0,0,3,1,0,11) R15-M1-N09-J08
Task 428 of 4096 (0,0,3,1,0,12) R15-M1-N09-J08
Task 429 of 4096 (0,0,3,1,0,13) R15-M1-N09-J08
Task 430 of 4096 (0,0,3,1,0,14) R15-M1-N09-J08
Task 431 of 4096 (0,0,3,1,0,15) R15-M1-N09-J08
Task 432 of 4096 (0,0,3,1,1,0) R15-M1-N09-J15
Task 433 of 4096 (0,0,3,1,1,1) R15-M1-N09-J15
Task 434 of 4096 (0,0,3,1,1,2) R15-M1-N09-J15
Task 435 of 4096 (0,0,3,1,1,3) R15-M1-N09-J15
Task 436 of 4096 (0,0,3,1,1,4) R15-M1-N09-J15
Task 437 of 4096 (0,0,3,1,1,5) R15-M1-N09-J15
Task 438 of 4096 (0,0,3,1,1,6) R15-M1-N09-J15
Task 439 of 4096 (0,0,3,1,1,7) R15-M1-N09-J15
Task 440 of 4096 (0,0,3,1,1,8) R15-M1-N09-J15
Task 441 of 4096 (0,0,3,1,1,9) R15-M1-N09-J15
Task 442 of 4096 (0,0,3,1,1,10) R15-M1-N09-J15
Task 443 of 4096 (0,0,3,1,1,11) R15-M1-N09-J15
Task 444 of 4096 (0,0,3,1,1,12) R15-M1-N09-J15
Task 445 of 4096 (0,0,3,1,1,13) R15-M1-N09-J15
Task 446 of 4096 (0,0,3,1,1,14) R15-M1-N09-J15
Task 447 of 4096 (0,0,3,1,1,15) R15-M1-N09-J15
Task 448 of 4096 (0,0,3,2,0,0) R15-M1-N11-J08
Task 449 of 4096 (0,0,3,2,0,1) R15-M1-N11-J08
Task 450 of 4096 (0,0,3,2,0,2) R15-M1-N11-J08
Task 451 of 4096 (0,0,3,2,0,3) R15-M1-N11-J08
Task 452 of 4096 (0,0,3,2,0,4) R15-M1-N11-J08
Task 453 of 4096 (0,0,3,2,0,5) R15-M1-N11-J08
Task 454 of 4096 (0,0,3,2,0,6) R15-M1-N11-J08
Task 455 of 4096 (0,0,3,2,0,7) R15-M1-N11-J08
Task 456 of 4096 (0,0,3,2,0,8) R15-M1-N11-J08
Task 457 of 4096 (0,0,3,2,0,9) R15-M1-N11-J08
Task 458 of 4096 (0,0,3,2,0,10) R15-M1-N11-J08
Task 459 of 4096 (0,0,3,2,0,11) R15-M1-N11-J08
Task 460 of 4096 (0,0,3,2,0,12) R15-M1-N11-J08
Task 461 of 4096 (0,0,3,2,0,13) R15-M1-N11-J08
Task 462 of 4096 (0,0,3,2,0,14) R15-M1-N11-J08
Task 463 of 4096 (0,0,3,2,0,15) R15-M1-N11-J08
Task 464 of 4096 (0,0,3,2,1,0) R15-M1-N11-J15
Task 465 of 4096 (0,0,3,2,1,1) R15-M1-N11-J15
Task 466 of 4096 (0,0,3,2,1,2) R15-M1-N11-J15
Task 467 of 4096 (0,0,3,2,1,3) R15-M1-N11-J15
Task 468 of 4096 (0,0,3,2,1,4) R15-M1-N11-J15
Task 469 of 4096 (0,0,3,2,1,5) R15-M1-N11-J15
Task 470 of 4096 (0,0,3,2,1,6) R15-M1-N11-J15
Task 471 of 4096 (0,0,3,2,1,7) R15-M1-N11-J15
Task 472 of 4096 (0,0,3,2,1,8) R15-M1-N11-J15
Task 473 of 4096 (0,0,3,2,1,9) R15-M1-N11-J15
Task 474 of 4096 (0,0,3,2,1,10) R15-M1-N11-J15
Task 475 of 4096 (0,0,3,2,1,11) R15-M1-N11-J15
Task 476 of 4096 (0,0,3,2,1,12) R15-M1-N11-J15
Task 477 of 4096 (0,0,3,2,1,13) R15-M1-N11-J15
Task 478 of 4096 (0,0,3,2,1,14) R15-M1-N11-J15
Task 479 of 4096 (0,0,3,2,1,15) R15-M1-N11-J15
Task 480 of 4096 (0,0,3,3,0,0) R15-M1-N11-J04
Task 481 of 4096 (0,0,3,3,0,1) R15-M1-N11-J04
Task 482 of 4096 (0,0,3,3,0,2) R15-M1-N11-J04
Task 483 of 4096 (0,0,3,3,0,3) R15-M1-N11-J04
Task 484 of 4096 (0,0,3,3,0,4) R15-M1-N11-J04
Task 485 of 4096 (0,0,3,3,0,5) R15-M1-N11-J04
Task 486 of 4096 (0,0,3,3,0,6) R15-M1-N11-J04
Task 487 of 4096 (0,0,3,3,0,7) R15-M1-N11-J04
Task 488 of 4096 (0,0,3,3,0,8) R15-M1-N11-J04
Task 489 of 4096 (0,0,3,3,0,9) R15-M1-N11-J04
Task 490 of 4096 (0,0,3,3,0,10) R15-M1-N11-J04
Task 491 of 4096 (0,0,3,3,0,11) R15-M1-N11-J04
Task 492 of 4096 (0,0,3,3,0,12) R15-M1-N11-J04
Task 493 of 4096 (0,0,3,3,0,13) R15-M1-N11-J04
Task 494 of 4096 (0,0,3,3,0,14) R15-M1-N11-J04
Task 495 of 4096 (0,0,3,3,0,15) R15-M1-N11-J04
Task 496 of 4096 (0,0,3,3,1,0) R15-M1-N11-J03
Task 497 of 4096 (0,0,3,3,1,1) R15-M1-N11-J03
Task 498 of 4096 (0,0,3,3,1,2) R15-M1-N11-J03
Task 499 of 4096 (0,0,3,3,1,3) R15-M1-N11-J03
Task 500 of 4096 (0,0,3,3,1,4) R15-M1-N11-J03
Task 501 of 4096 (0,0,3,3,1,5) R15-M1-N11-J03
Task 502 of 4096 (0,0,3,3,1,6) R15-M1-N11-J03
Task 503 of 4096 (0,0,3,3,1,7) R15-M1-N11-J03
Task 504 of 4096 (0,0,3,3,1,8) R15-M1-N11-J03
Task 505 of 4096 (0,0,3,3,1,9) R15-M1-N11-J03
Task 506 of 4096 (0,0,3,3,1,10) R15-M1-N11-J03
Task 507 of 4096 (0,0,3,3,1,11) R15-M1-N11-J03
Task 508 of 4096 (0,0,3,3,1,12) R15-M1-N11-J03
Task 509 of 4096 (0,0,3,3,1,13) R15-M1-N11-J03
Task 510 of 4096 (0,0,3,3,1,14) R15-M1-N11-J03
Task 511 of 4096 (0,0,3,3,1,15) R15-M1-N11-J03
Task 512 of 4096 (0,1,0,0,0,0) R15-M1-N08-J07
Task 513 of 4096 (0,1,0,0,0,1) R15-M1-N08-J07
Task 514 of 4096 (0,1,0,0,0,2) R15-M1-N08-J07
Task 515 of 4096 (0,1,0,0,0,3) R15-M1-N08-J07
Task 516 of 4096 (0,1,0,0,0,4) R15-M1-N08-J07
Task 517 of 4096 (0,1,0,0,0,5) R15-M1-N08-J07
Task 518 of 4096 (0,1,0,0,0,6) R15-M1-N08-J07
Task 519 of 4096 (0,1,0,0,0,7) R15-M1-N08-J07
Task 520 of 4096 (0,1,0,0,0,8) R15-M1-N08-J07
Task 521 of 4096 (0,1,0,0,0,9) R15-M1-N08-J07
Task 522 of 4096 (0,1,0,0,0,10) R15-M1-N08-J07
Task 523 of 4096 (0,1,0,0,0,11) R15-M1-N08-J07
Task 524 of 4096 (0,1,0,0,0,12) R15-M1-N08-J07
Task 525 of 4096 (0,1,0,0,0,13) R15-M1-N08-J07
Task 526 of 4096 (0,1,0,0,0,14) R15-M1-N08-J07
Task 527 of 4096 (0,1,0,0,0,15) R15-M1-N08-J07
Task 528 of 4096 (0,1,0,0,1,0) R15-M1-N08-J00
Task 529 of 4096 (0,1,0,0,1,1) R15-M1-N08-J00
Task 530 of 4096 (0,1,0,0,1,2) R15-M1-N08-J00
Task 531 of 4096 (0,1,0,0,1,3) R15-M1-N08-J00
Task 532 of 4096 (0,1,0,0,1,4) R15-M1-N08-J00
Task 533 of 4096 (0,1,0,0,1,5) R15-M1-N08-J00
Task 534 of 4096 (0,1,0,0,1,6) R15-M1-N08-J00
Task 535 of 4096 (0,1,0,0,1,7) R15-M1-N08-J00
Task 536 of 4096 (0,1,0,0,1,8) R15-M1-N08-J00
Task 537 of 4096 (0,1,0,0,1,9) R15-M1-N08-J00
Task 538 of 4096 (0,1,0,0,1,10) R15-M1-N08-J00
Task 539 of 4096 (0,1,0,0,1,11) R15-M1-N08-J00
Task 540 of 4096 (0,1,0,0,1,12) R15-M1-N08-J00
Task 541 of 4096 (0,1,0,0,1,13) R15-M1-N08-J00
Task 542 of 4096 (0,1,0,0,1,14) R15-M1-N08-J00
Task 543 of 4096 (0,1,0,0,1,15) R15-M1-N08-J00
Task 544 of 4096 (0,1,0,1,0,0) R15-M1-N08-J11
Task 545 of 4096 (0,1,0,1,0,1) R15-M1-N08-J11
Task 546 of 4096 (0,1,0,1,0,2) R15-M1-N08-J11
Task 547 of 4096 (0,1,0,1,0,3) R15-M1-N08-J11
Task 548 of 4096 (0,1,0,1,0,4) R15-M1-N08-J11
Task 549 of 4096 (0,1,0,1,0,5) R15-M1-N08-J11
Task 550 of 4096 (0,1,0,1,0,6) R15-M1-N08-J11
Task 551 of 4096 (0,1,0,1,0,7) R15-M1-N08-J11
Task 552 of 4096 (0,1,0,1,0,8) R15-M1-N08-J11
Task 553 of 4096 (0,1,0,1,0,9) R15-M1-N08-J11
Task 554 of 4096 (0,1,0,1,0,10) R15-M1-N08-J11
Task 555 of 4096 (0,1,0,1,0,11) R15-M1-N08-J11
Task 556 of 4096 (0,1,0,1,0,12) R15-M1-N08-J11
Task 557 of 4096 (0,1,0,1,0,13) R15-M1-N08-J11
Task 558 of 4096 (0,1,0,1,0,14) R15-M1-N08-J11
Task 559 of 4096 (0,1,0,1,0,15) R15-M1-N08-J11
Task 560 of 4096 (0,1,0,1,1,0) R15-M1-N08-J12
Task 561 of 4096 (0,1,0,1,1,1) R15-M1-N08-J12
Task 562 of 4096 (0,1,0,1,1,2) R15-M1-N08-J12
Task 563 of 4096 (0,1,0,1,1,3) R15-M1-N08-J12
Task 564 of 4096 (0,1,0,1,1,4) R15-M1-N08-J12
Task 565 of 4096 (0,1,0,1,1,5) R15-M1-N08-J12
Task 566 of 4096 (0,1,0,1,1,6) R15-M1-N08-J12
Task 567 of 4096 (0,1,0,1,1,7) R15-M1-N08-J12
Task 568 of 4096 (0,1,0,1,1,8) R15-M1-N08-J12
Task 569 of 4096 (0,1,0,1,1,9) R15-M1-N08-J12
Task 570 of 4096 (0,1,0,1,1,10) R15-M1-N08-J12
Task 571 of 4096 (0,1,0,1,1,11) R15-M1-N08-J12
Task 572 of 4096 (0,1,0,1,1,12) R15-M1-N08-J12
Task 573 of 4096 (0,1,0,1,1,13) R15-M1-N08-J12
Task 574 of 4096 (0,1,0,1,1,14) R15-M1-N08-J12
Task 575 of 4096 (0,1,0,1,1,15) R15-M1-N08-J12
Task 576 of 4096 (0,1,0,2,0,0) R15-M1-N10-J11
Task 577 of 4096 (0,1,0,2,0,1) R15-M1-N10-J11
Task 578 of 4096 (0,1,0,2,0,2) R15-M1-N10-J11
Task 579 of 4096 (0,1,0,2,0,3) R15-M1-N10-J11
Task 580 of 4096 (0,1,0,2,0,4) R15-M1-N10-J11
Task 581 of 4096 (0,1,0,2,0,5) R15-M1-N10-J11
Task 582 of 4096 (0,1,0,2,0,6) R15-M1-N10-J11
Task 583 of 4096 (0,1,0,2,0,7) R15-M1-N10-J11
Task 584 of 4096 (0,1,0,2,0,8) R15-M1-N10-J11
Task 585 of 4096 (0,1,0,2,0,9) R15-M1-N10-J11
Task 586 of 4096 (0,1,0,2,0,10) R15-M1-N10-J11
Task 587 of 4096 (0,1,0,2,0,11) R15-M1-N10-J11
Task 588 of 4096 (0,1,0,2,0,12) R15-M1-N10-J11
Task 589 of 4096 (0,1,0,2,0,13) R15-M1-N10-J11
Task 590 of 4096 (0,1,0,2,0,14) R15-M1-N10-J11
Task 591 of 4096 (0,1,0,2,0,15) R15-M1-N10-J11
Task 592 of 4096 (0,1,0,2,1,0) R15-M1-N10-J12
Task 593 of 4096 (0,1,0,2,1,1) R15-M1-N10-J12
Task 594 of 4096 (0,1,0,2,1,2) R15-M1-N10-J12
Task 595 of 4096 (0,1,0,2,1,3) R15-M1-N10-J12
Task 596 of 4096 (0,1,0,2,1,4) R15-M1-N10-J12
Task 597 of 4096 (0,1,0,2,1,5) R15-M1-N10-J12
Task 598 of 4096 (0,1,0,2,1,6) R15-M1-N10-J12
Task 599 of 4096 (0,1,0,2,1,7) R15-M1-N10-J12
Task 600 of 4096 (0,1,0,2,1,8) R15-M1-N10-J12
Task 601 of 4096 (0,1,0,2,1,9) R15-M1-N10-J12
Task 602 of 4096 (0,1,0,2,1,10) R15-M1-N10-J12
Task 603 of 4096 (0,1,0,2,1,11) R15-M1-N10-J12
Task 604 of 4096 (0,1,0,2,1,12) R15-M1-N10-J12
Task 605 of 4096 (0,1,0,2,1,13) R15-M1-N10-J12
Task 606 of 4096 (0,1,0,2,1,14) R15-M1-N10-J12
Task 607 of 4096 (0,1,0,2,1,15) R15-M1-N10-J12
Task 608 of 4096 (0,1,0,3,0,0) R15-M1-N10-J07
Task 609 of 4096 (0,1,0,3,0,1) R15-M1-N10-J07
Task 610 of 4096 (0,1,0,3,0,2) R15-M1-N10-J07
Task 611 of 4096 (0,1,0,3,0,3) R15-M1-N10-J07
Task 612 of 4096 (0,1,0,3,0,4) R15-M1-N10-J07
Task 613 of 4096 (0,1,0,3,0,5) R15-M1-N10-J07
Task 614 of 4096 (0,1,0,3,0,6) R15-M1-N10-J07
Task 615 of 4096 (0,1,0,3,0,7) R15-M1-N10-J07
Task 616 of 4096 (0,1,0,3,0,8) R15-M1-N10-J07
Task 617 of 4096 (0,1,0,3,0,9) R15-M1-N10-J07
Task 618 of 4096 (0,1,0,3,0,10) R15-M1-N10-J07
Task 619 of 4096 (0,1,0,3,0,11) R15-M1-N10-J07
Task 620 of 4096 (0,1,0,3,0,12) R15-M1-N10-J07
Task 621 of 4096 (0,1,0,3,0,13) R15-M1-N10-J07
Task 622 of 4096 (0,1,0,3,0,14) R15-M1-N10-J07
Task 623 of 4096 (0,1,0,3,0,15) R15-M1-N10-J07
Task 624 of 4096 (0,1,0,3,1,0) R15-M1-N10-J00
Task 625 of 4096 (0,1,0,3,1,1) R15-M1-N10-J00
Task 626 of 4096 (0,1,0,3,1,2) R15-M1-N10-J00
Task 627 of 4096 (0,1,0,3,1,3) R15-M1-N10-J00
Task 628 of 4096 (0,1,0,3,1,4) R15-M1-N10-J00
Task 629 of 4096 (0,1,0,3,1,5) R15-M1-N10-J00
Task 630 of 4096 (0,1,0,3,1,6) R15-M1-N10-J00
Task 631 of 4096 (0,1,0,3,1,7) R15-M1-N10-J00
Task 632 of 4096 (0,1,0,3,1,8) R15-M1-N10-J00
Task 633 of 4096 (0,1,0,3,1,9) R15-M1-N10-J00
Task 634 of 4096 (0,1,0,3,1,10) R15-M1-N10-J00
Task 635 of 4096 (0,1,0,3,1,11) R15-M1-N10-J00
Task 636 of 4096 (0,1,0,3,1,12) R15-M1-N10-J00
Task 637 of 4096 (0,1,0,3,1,13) R15-M1-N10-J00
Task 638 of 4096 (0,1,0,3,1,14) R15-M1-N10-J00
Task 639 of 4096 (0,1,0,3,1,15) R15-M1-N10-J00
Task 640 of 4096 (0,1,1,0,0,0) R15-M1-N08-J06
Task 641 of 4096 (0,1,1,0,0,1) R15-M1-N08-J06
Task 642 of 4096 (0,1,1,0,0,2) R15-M1-N08-J06
Task 643 of 4096 (0,1,1,0,0,3) R15-M1-N08-J06
Task 644 of 4096 (0,1,1,0,0,4) R15-M1-N08-J06
Task 645 of 4096 (0,1,1,0,0,5) R15-M1-N08-J06
Task 646 of 4096 (0,1,1,0,0,6) R15-M1-N08-J06
Task 647 of 4096 (0,1,1,0,0,7) R15-M1-N08-J06
Task 648 of 4096 (0,1,1,0,0,8) R15-M1-N08-J06
Task 649 of 4096 (0,1,1,0,0,9) R15-M1-N08-J06
Task 650 of 4096 (0,1,1,0,0,10) R15-M1-N08-J06
Task 651 of 4096 (0,1,1,0,0,11) R15-M1-N08-J06
Task 652 of 4096 (0,1,1,0,0,12) R15-M1-N08-J06
Task 653 of 4096 (0,1,1,0,0,13) R15-M1-N08-J06
Task 654 of 4096 (0,1,1,0,0,14) R15-M1-N08-J06
Task 655 of 4096 (0,1,1,0,0,15) R15-M1-N08-J06
Task 656 of 4096 (0,1,1,0,1,0) R15-M1-N08-J01
Task 657 of 4096 (0,1,1,0,1,1) R15-M1-N08-J01
Task 658 of 4096 (0,1,1,0,1,2) R15-M1-N08-J01
Task 659 of 4096 (0,1,1,0,1,3) R15-M1-N08-J01
Task 660 of 4096 (0,1,1,0,1,4) R15-M1-N08-J01
Task 661 of 4096 (0,1,1,0,1,5) R15-M1-N08-J01
Task 662 of 4096 (0,1,1,0,1,6) R15-M1-N08-J01
Task 663 of 4096 (0,1,1,0,1,7) R15-M1-N08-J01
Task 664 of 4096 (0,1,1,0,1,8) R15-M1-N08-J01
Task 665 of 4096 (0,1,1,0,1,9) R15-M1-N08-J01
Task 666 of 4096 (0,1,1,0,1,10) R15-M1-N08-J01
Task 667 of 4096 (0,1,1,0,1,11) R15-M1-N08-J01
Task 668 of 4096 (0,1,1,0,1,12) R15-M1-N08-J01
Task 669 of 4096 (0,1,1,0,1,13) R15-M1-N08-J01
Task 670 of 4096 (0,1,1,0,1,14) R15-M1-N08-J01
Task 671 of 4096 (0,1,1,0,1,15) R15-M1-N08-J01
Task 672 of 4096 (0,1,1,1,0,0) R15-M1-N08-J10
Task 673 of 4096 (0,1,1,1,0,1) R15-M1-N08-J10
Task 674 of 4096 (0,1,1,1,0,2) R15-M1-N08-J10
Task 675 of 4096 (0,1,1,1,0,3) R15-M1-N08-J10
Task 676 of 4096 (0,1,1,1,0,4) R15-M1-N08-J10
Task 677 of 4096 (0,1,1,1,0,5) R15-M1-N08-J10
Task 678 of 4096 (0,1,1,1,0,6) R15-M1-N08-J10
Task 679 of 4096 (0,1,1,1,0,7) R15-M1-N08-J10
Task 680 of 4096 (0,1,1,1,0,8) R15-M1-N08-J10
Task 681 of 4096 (0,1,1,1,0,9) R15-M1-N08-J10
Task 682 of 4096 (0,1,1,1,0,10) R15-M1-N08-J10
Task 683 of 4096 (0,1,1,1,0,11) R15-M1-N08-J10
Task 684 of 4096 (0,1,1,1,0,12) R15-M1-N08-J10
Task 685 of 4096 (0,1,1,1,0,13) R15-M1-N08-J10
Task 686 of 4096 (0,1,1,1,0,14) R15-M1-N08-J10
Task 687 of 4096 (0,1,1,1,0,15) R15-M1-N08-J10
Task 688 of 4096 (0,1,1,1,1,0) R15-M1-N08-J13
Task 689 of 4096 (0,1,1,1,1,1) R15-M1-N08-J13
Task 690 of 4096 (0,1,1,1,1,2) R15-M1-N08-J13
Task 691 of 4096 (0,1,1,1,1,3) R15-M1-N08-J13
Task 692 of 4096 (0,1,1,1,1,4) R15-M1-N08-J13
Task 693 of 4096 (0,1,1,1,1,5) R15-M1-N08-J13
Task 694 of 4096 (0,1,1,1,1,6) R15-M1-N08-J13
Task 695 of 4096 (0,1,1,1,1,7) R15-M1-N08-J13
Task 696 of 4096 (0,1,1,1,1,8) R15-M1-N08-J13
Task 697 of 4096 (0,1,1,1,1,9) R15-M1-N08-J13
Task 698 of 4096 (0,1,1,1,1,10) R15-M1-N08-J13
Task 699 of 4096 (0,1,1,1,1,11) R15-M1-N08-J13
Task 700 of 4096 (0,1,1,1,1,12) R15-M1-N08-J13
Task 701 of 4096 (0,1,1,1,1,13) R15-M1-N08-J13
Task 702 of 4096 (0,1,1,1,1,14) R15-M1-N08-J13
Task 703 of 4096 (0,1,1,1,1,15) R15-M1-N08-J13
Task 704 of 4096 (0,1,1,2,0,0) R15-M1-N10-J10
Task 705 of 4096 (0,1,1,2,0,1) R15-M1-N10-J10
Task 706 of 4096 (0,1,1,2,0,2) R15-M1-N10-J10
Task 707 of 4096 (0,1,1,2,0,3) R15-M1-N10-J10
Task 708 of 4096 (0,1,1,2,0,4) R15-M1-N10-J10
Task 709 of 4096 (0,1,1,2,0,5) R15-M1-N10-J10
Task 710 of 4096 (0,1,1,2,0,6) R15-M1-N10-J10
Task 711 of 4096 (0,1,1,2,0,7) R15-M1-N10-J10
Task 712 of 4096 (0,1,1,2,0,8) R15-M1-N10-J10
Task 713 of 4096 (0,1,1,2,0,9) R15-M1-N10-J10
Task 714 of 4096 (0,1,1,2,0,10) R15-M1-N10-J10
Task 715 of 4096 (0,1,1,2,0,11) R15-M1-N10-J10
Task 716 of 4096 (0,1,1,2,0,12) R15-M1-N10-J10
Task 717 of 4096 (0,1,1,2,0,13) R15-M1-N10-J10
Task 718 of 4096 (0,1,1,2,0,14) R15-M1-N10-J10
Task 719 of 4096 (0,1,1,2,0,15) R15-M1-N10-J10
Task 720 of 4096 (0,1,1,2,1,0) R15-M1-N10-J13
Task 721 of 4096 (0,1,1,2,1,1) R15-M1-N10-J13
Task 722 of 4096 (0,1,1,2,1,2) R15-M1-N10-J13
Task 723 of 4096 (0,1,1,2,1,3) R15-M1-N10-J13
Task 724 of 4096 (0,1,1,2,1,4) R15-M1-N10-J13
Task 725 of 4096 (0,1,1,2,1,5) R15-M1-N10-J13
Task 726 of 4096 (0,1,1,2,1,6) R15-M1-N10-J13
Task 727 of 4096 (0,1,1,2,1,7) R15-M1-N10-J13
Task 728 of 4096 (0,1,1,2,1,8) R15-M1-N10-J13
Task 729 of 4096 (0,1,1,2,1,9) R15-M1-N10-J13
Task 730 of 4096 (0,1,1,2,1,10) R15-M1-N10-J13
Task 731 of 4096 (0,1,1,2,1,11) R15-M1-N10-J13
Task 732 of 4096 (0,1,1,2,1,12) R15-M1-N10-J13
Task 733 of 4096 (0,1,1,2,1,13) R15-M1-N10-J13
Task 734 of 4096 (0,1,1,2,1,14) R15-M1-N10-J13
Task 735 of 4096 (0,1,1,2,1,15) R15-M1-N10-J13
Task 736 of 4096 (0,1,1,3,0,0) R15-M1-N10-J06
Task 737 of 4096 (0,1,1,3,0,1) R15-M1-N10-J06
Task 738 of 4096 (0,1,1,3,0,2) R15-M1-N10-J06
Task 739 of 4096 (0,1,1,3,0,3) R15-M1-N10-J06
Task 740 of 4096 (0,1,1,3,0,4) R15-M1-N10-J06
Task 741 of 4096 (0,1,1,3,0,5) R15-M1-N10-J06
Task 742 of 4096 (0,1,1,3,0,6) R15-M1-N10-J06
Task 743 of 4096 (0,1,1,3,0,7) R15-M1-N10-J06
Task 744 of 4096 (0,1,1,3,0,8) R15-M1-N10-J06
Task 745 of 4096 (0,1,1,3,0,9) R15-M1-N10-J06
Task 746 of 4096 (0,1,1,3,0,10) R15-M1-N10-J06
Task 747 of 4096 (0,1,1,3,0,11) R15-M1-N10-J06
Task 748 of 4096 (0,1,1,3,0,12) R15-M1-N10-J06
Task 749 of 4096 (0,1,1,3,0,13) R15-M1-N10-J06
Task 750 of 4096 (0,1,1,3,0,14) R15-M1-N10-J06
Task 751 of 4096 (0,1,1,3,0,15) R15-M1-N10-J06
Task 752 of 4096 (0,1,1,3,1,0) R15-M1-N10-J01
Task 753 of 4096 (0,1,1,3,1,1) R15-M1-N10-J01
Task 754 of 4096 (0,1,1,3,1,2) R15-M1-N10-J01
Task 755 of 4096 (0,1,1,3,1,3) R15-M1-N10-J01
Task 756 of 4096 (0,1,1,3,1,4) R15-M1-N10-J01
Task 757 of 4096 (0,1,1,3,1,5) R15-M1-N10-J01
Task 758 of 4096 (0,1,1,3,1,6) R15-M1-N10-J01
Task 759 of 4096 (0,1,1,3,1,7) R15-M1-N10-J01
Task 760 of 4096 (0,1,1,3,1,8) R15-M1-N10-J01
Task 761 of 4096 (0,1,1,3,1,9) R15-M1-N10-J01
Task 762 of 4096 (0,1,1,3,1,10) R15-M1-N10-J01
Task 763 of 4096 (0,1,1,3,1,11) R15-M1-N10-J01
Task 764 of 4096 (0,1,1,3,1,12) R15-M1-N10-J01
Task 765 of 4096 (0,1,1,3,1,13) R15-M1-N10-J01
Task 766 of 4096 (0,1,1,3,1,14) R15-M1-N10-J01
Task 767 of 4096 (0,1,1,3,1,15) R15-M1-N10-J01
Task 768 of 4096 (0,1,2,0,0,0) R15-M1-N09-J06
Task 769 of 4096 (0,1,2,0,0,1) R15-M1-N09-J06
Task 770 of 4096 (0,1,2,0,0,2) R15-M1-N09-J06
Task 771 of 4096 (0,1,2,0,0,3) R15-M1-N09-J06
Task 772 of 4096 (0,1,2,0,0,4) R15-M1-N09-J06
Task 773 of 4096 (0,1,2,0,0,5) R15-M1-N09-J06
Task 774 of 4096 (0,1,2,0,0,6) R15-M1-N09-J06
Task 775 of 4096 (0,1,2,0,0,7) R15-M1-N09-J06
Task 776 of 4096 (0,1,2,0,0,8) R15-M1-N09-J06
Task 777 of 4096 (0,1,2,0,0,9) R15-M1-N09-J06
Task 778 of 4096 (0,1,2,0,0,10) R15-M1-N09-J06
Task 779 of 4096 (0,1,2,0,0,11) R15-M1-N09-J06
Task 780 of 4096 (0,1,2,0,0,12) R15-M1-N09-J06
Task 781 of 4096 (0,1,2,0,0,13) R15-M1-N09-J06
Task 782 of 4096 (0,1,2,0,0,14) R15-M1-N09-J06
Task 783 of 4096 (0,1,2,0,0,15) R15-M1-N09-J06
Task 784 of 4096 (0,1,2,0,1,0) R15-M1-N09-J01
Task 785 of 4096 (0,1,2,0,1,1) R15-M1-N09-J01
Task 786 of 4096 (0,1,2,0,1,2) R15-M1-N09-J01
Task 787 of 4096 (0,1,2,0,1,3) R15-M1-N09-J01
Task 788 of 4096 (0,1,2,0,1,4) R15-M1-N09-J01
Task 789 of 4096 (0,1,2,0,1,5) R15-M1-N09-J01
Task 790 of 4096 (0,1,2,0,1,6) R15-M1-N09-J01
Task 791 of 4096 (0,1,2,0,1,7) R15-M1-N09-J01
Task 792 of 4096 (0,1,2,0,1,8) R15-M1-N09-J01
Task 793 of 4096 (0,1,2,0,1,9) R15-M1-N09-J01
Task 794 of 4096 (0,1,2,0,1,10) R15-M1-N09-J01
Task 795 of 4096 (0,1,2,0,1,11) R15-M1-N09-J01
Task 796 of 4096 (0,1,2,0,1,12) R15-M1-N09-J01
Task 797 of 4096 (0,1,2,0,1,13) R15-M1-N09-J01
Task 798 of 4096 (0,1,2,0,1,14) R15-M1-N09-J01
Task 799 of 4096 (0,1,2,0,1,15) R15-M1-N09-J01
Task 800 of 4096 (0,1,2,1,0,0) R15-M1-N09-J10
Task 801 of 4096 (0,1,2,1,0,1) R15-M1-N09-J10
Task 802 of 4096 (0,1,2,1,0,2) R15-M1-N09-J10
Task 803 of 4096 (0,1,2,1,0,3) R15-M1-N09-J10
Task 804 of 4096 (0,1,2,1,0,4) R15-M1-N09-J10
Task 805 of 4096 (0,1,2,1,0,5) R15-M1-N09-J10
Task 806 of 4096 (0,1,2,1,0,6) R15-M1-N09-J10
Task 807 of 4096 (0,1,2,1,0,7) R15-M1-N09-J10
Task 808 of 4096 (0,1,2,1,0,8) R15-M1-N09-J10
Task 809 of 4096 (0,1,2,1,0,9) R15-M1-N09-J10
Task 810 of 4096 (0,1,2,1,0,10) R15-M1-N09-J10
Task 811 of 4096 (0,1,2,1,0,11) R15-M1-N09-J10
Task 812 of 4096 (0,1,2,1,0,12) R15-M1-N09-J10
Task 813 of 4096 (0,1,2,1,0,13) R15-M1-N09-J10
Task 814 of 4096 (0,1,2,1,0,14) R15-M1-N09-J10
Task 815 of 4096 (0,1,2,1,0,15) R15-M1-N09-J10
Task 816 of 4096 (0,1,2,1,1,0) R15-M1-N09-J13
Task 817 of 4096 (0,1,2,1,1,1) R15-M1-N09-J13
Task 818 of 4096 (0,1,2,1,1,2) R15-M1-N09-J13
Task 819 of 4096 (0,1,2,1,1,3) R15-M1-N09-J13
Task 820 of 4096 (0,1,2,1,1,4) R15-M1-N09-J13
Task 821 of 4096 (0,1,2,1,1,5) R15-M1-N09-J13
Task 822 of 4096 (0,1,2,1,1,6) R15-M1-N09-J13
Task 823 of 4096 (0,1,2,1,1,7) R15-M1-N09-J13
Task 824 of 4096 (0,1,2,1,1,8) R15-M1-N09-J13
Task 825 of 4096 (0,1,2,1,1,9) R15-M1-N09-J13
Task 826 of 4096 (0,1,2,1,1,10) R15-M1-N09-J13
Task 827 of 4096 (0,1,2,1,1,11) R15-M1-N09-J13
Task 828 of 4096 (0,1,2,1,1,12) R15-M1-N09-J13
Task 829 of 4096 (0,1,2,1,1,13) R15-M1-N09-J13
Task 830 of 4096 (0,1,2,1,1,14) R15-M1-N09-J13
Task 831 of 4096 (0,1,2,1,1,15) R15-M1-N09-J13
Task 832 of 4096 (0,1,2,2,0,0) R15-M1-N11-J10
Task 833 of 4096 (0,1,2,2,0,1) R15-M1-N11-J10
Task 834 of 4096 (0,1,2,2,0,2) R15-M1-N11-J10
Task 835 of 4096 (0,1,2,2,0,3) R15-M1-N11-J10
Task 836 of 4096 (0,1,2,2,0,4) R15-M1-N11-J10
Task 837 of 4096 (0,1,2,2,0,5) R15-M1-N11-J10
Task 838 of 4096 (0,1,2,2,0,6) R15-M1-N11-J10
Task 839 of 4096 (0,1,2,2,0,7) R15-M1-N11-J10
Task 840 of 4096 (0,1,2,2,0,8) R15-M1-N11-J10
Task 841 of 4096 (0,1,2,2,0,9) R15-M1-N11-J10
Task 842 of 4096 (0,1,2,2,0,10) R15-M1-N11-J10
Task 843 of 4096 (0,1,2,2,0,11) R15-M1-N11-J10
Task 844 of 4096 (0,1,2,2,0,12) R15-M1-N11-J10
Task 845 of 4096 (0,1,2,2,0,13) R15-M1-N11-J10
Task 846 of 4096 (0,1,2,2,0,14) R15-M1-N11-J10
Task 847 of 4096 (0,1,2,2,0,15) R15-M1-N11-J10
Task 848 of 4096 (0,1,2,2,1,0) R15-M1-N11-J13
Task 849 of 4096 (0,1,2,2,1,1) R15-M1-N11-J13
Task 850 of 4096 (0,1,2,2,1,2) R15-M1-N11-J13
Task 851 of 4096 (0,1,2,2,1,3) R15-M1-N11-J13
Task 852 of 4096 (0,1,2,2,1,4) R15-M1-N11-J13
Task 853 of 4096 (0,1,2,2,1,5) R15-M1-N11-J13
Task 854 of 4096 (0,1,2,2,1,6) R15-M1-N11-J13
Task 855 of 4096 (0,1,2,2,1,7) R15-M1-N11-J13
Task 856 of 4096 (0,1,2,2,1,8) R15-M1-N11-J13
Task 857 of 4096 (0,1,2,2,1,9) R15-M1-N11-J13
Task 858 of 4096 (0,1,2,2,1,10) R15-M1-N11-J13
Task 859 of 4096 (0,1,2,2,1,11) R15-M1-N11-J13
Task 860 of 4096 (0,1,2,2,1,12) R15-M1-N11-J13
Task 861 of 4096 (0,1,2,2,1,13) R15-M1-N11-J13
Task 862 of 4096 (0,1,2,2,1,14) R15-M1-N11-J13
Task 863 of 4096 (0,1,2,2,1,15) R15-M1-N11-J13
Task 864 of 4096 (0,1,2,3,0,0) R15-M1-N11-J06
Task 865 of 4096 (0,1,2,3,0,1) R15-M1-N11-J06
Task 866 of 4096 (0,1,2,3,0,2) R15-M1-N11-J06
Task 867 of 4096 (0,1,2,3,0,3) R15-M1-N11-J06
Task 868 of 4096 (0,1,2,3,0,4) R15-M1-N11-J06
Task 869 of 4096 (0,1,2,3,0,5) R15-M1-N11-J06
Task 870 of 4096 (0,1,2,3,0,6) R15-M1-N11-J06
Task 871 of 4096 (0,1,2,3,0,7) R15-M1-N11-J06
Task 872 of 4096 (0,1,2,3,0,8) R15-M1-N11-J06
Task 873 of 4096 (0,1,2,3,0,9) R15-M1-N11-J06
Task 874 of 4096 (0,1,2,3,0,10) R15-M1-N11-J06
Task 875 of 4096 (0,1,2,3,0,11) R15-M1-N11-J06
Task 876 of 4096 (0,1,2,3,0,12) R15-M1-N11-J06
Task 877 of 4096 (0,1,2,3,0,13) R15-M1-N11-J06
Task 878 of 4096 (0,1,2,3,0,14) R15-M1-N11-J06
Task 879 of 4096 (0,1,2,3,0,15) R15-M1-N11-J06
Task 880 of 4096 (0,1,2,3,1,0) R15-M1-N11-J01
Task 881 of 4096 (0,1,2,3,1,1) R15-M1-N11-J01
Task 882 of 4096 (0,1,2,3,1,2) R15-M1-N11-J01
Task 883 of 4096 (0,1,2,3,1,3) R15-M1-N11-J01
Task 884 of 4096 (0,1,2,3,1,4) R15-M1-N11-J01
Task 885 of 4096 (0,1,2,3,1,5) R15-M1-N11-J01
Task 886 of 4096 (0,1,2,3,1,6) R15-M1-N11-J01
Task 887 of 4096 (0,1,2,3,1,7) R15-M1-N11-J01
Task 888 of 4096 (0,1,2,3,1,8) R15-M1-N11-J01
Task 889 of 4096 (0,1,2,3,1,9) R15-M1-N11-J01
Task 890 of 4096 (0,1,2,3,1,10) R15-M1-N11-J01
Task 891 of 4096 (0,1,2,3,1,11) R15-M1-N11-J01
Task 892 of 4096 (0,1,2,3,1,12) R15-M1-N11-J01
Task 893 of 4096 (0,1,2,3,1,13) R15-M1-N11-J01
Task 894 of 4096 (0,1,2,3,1,14) R15-M1-N11-J01
Task 895 of 4096 (0,1,2,3,1,15) R15-M1-N11-J01
Task 896 of 4096 (0,1,3,0,0,0) R15-M1-N09-J07
Task 897 of 4096 (0,1,3,0,0,1) R15-M1-N09-J07
Task 898 of 4096 (0,1,3,0,0,2) R15-M1-N09-J07
Task 899 of 4096 (0,1,3,0,0,3) R15-M1-N09-J07
Task 900 of 4096 (0,1,3,0,0,4) R15-M1-N09-J07
Task 901 of 4096 (0,1,3,0,0,5) R15-M1-N09-J07
Task 902 of 4096 (0,1,3,0,0,6) R15-M1-N09-J07
Task 903 of 4096 (0,1,3,0,0,7) R15-M1-N09-J07
Task 904 of 4096 (0,1,3,0,0,8) R15-M1-N09-J07
Task 905 of 4096 (0,1,3,0,0,9) R15-M1-N09-J07
Task 906 of 4096 (0,1,3,0,0,10) R15-M1-N09-J07
Task 907 of 4096 (0,1,3,0,0,11) R15-M1-N09-J07
Task 908 of 4096 (0,1,3,0,0,12) R15-M1-N09-J07
Task 909 of 4096 (0,1,3,0,0,13) R15-M1-N09-J07
Task 910 of 4096 (0,1,3,0,0,14) R15-M1-N09-J07
Task 911 of 4096 (0,1,3,0,0,15) R15-M1-N09-J07
Task 912 of 4096 (0,1,3,0,1,0) R15-M1-N09-J00
Task 913 of 4096 (0,1,3,0,1,1) R15-M1-N09-J00
Task 914 of 4096 (0,1,3,0,1,2) R15-M1-N09-J00
Task 915 of 4096 (0,1,3,0,1,3) R15-M1-N09-J00
Task 916 of 4096 (0,1,3,0,1,4) R15-M1-N09-J00
Task 917 of 4096 (0,1,3,0,1,5) R15-M1-N09-J00
Task 918 of 4096 (0,1,3,0,1,6) R15-M1-N09-J00
Task 919 of 4096 (0,1,3,0,1,7) R15-M1-N09-J00
Task 920 of 4096 (0,1,3,0,1,8) R15-M1-N09-J00
Task 921 of 4096 (0,1,3,0,1,9) R15-M1-N09-J00
Task 922 of 4096 (0,1,3,0,1,10) R15-M1-N09-J00
Task 923 of 4096 (0,1,3,0,1,11) R15-M1-N09-J00
Task 924 of 4096 (0,1,3,0,1,12) R15-M1-N09-J00
Task 925 of 4096 (0,1,3,0,1,13) R15-M1-N09-J00
Task 926 of 4096 (0,1,3,0,1,14) R15-M1-N09-J00
Task 927 of 4096 (0,1,3,0,1,15) R15-M1-N09-J00
Task 928 of 4096 (0,1,3,1,0,0) R15-M1-N09-J11
Task 929 of 4096 (0,1,3,1,0,1) R15-M1-N09-J11
Task 930 of 4096 (0,1,3,1,0,2) R15-M1-N09-J11
Task 931 of 4096 (0,1,3,1,0,3) R15-M1-N09-J11
Task 932 of 4096 (0,1,3,1,0,4) R15-M1-N09-J11
Task 933 of 4096 (0,1,3,1,0,5) R15-M1-N09-J11
Task 934 of 4096 (0,1,3,1,0,6) R15-M1-N09-J11
Task 935 of 4096 (0,1,3,1,0,7) R15-M1-N09-J11
Task 936 of 4096 (0,1,3,1,0,8) R15-M1-N09-J11
Task 937 of 4096 (0,1,3,1,0,9) R15-M1-N09-J11
Task 938 of 4096 (0,1,3,1,0,10) R15-M1-N09-J11
Task 939 of 4096 (0,1,3,1,0,11) R15-M1-N09-J11
Task 940 of 4096 (0,1,3,1,0,12) R15-M1-N09-J11
Task 941 of 4096 (0,1,3,1,0,13) R15-M1-N09-J11
Task 942 of 4096 (0,1,3,1,0,14) R15-M1-N09-J11
Task 943 of 4096 (0,1,3,1,0,15) R15-M1-N09-J11
Task 944 of 4096 (0,1,3,1,1,0) R15-M1-N09-J12
Task 945 of 4096 (0,1,3,1,1,1) R15-M1-N09-J12
Task 946 of 4096 (0,1,3,1,1,2) R15-M1-N09-J12
Task 947 of 4096 (0,1,3,1,1,3) R15-M1-N09-J12
Task 948 of 4096 (0,1,3,1,1,4) R15-M1-N09-J12
Task 949 of 4096 (0,1,3,1,1,5) R15-M1-N09-J12
Task 950 of 4096 (0,1,3,1,1,6) R15-M1-N09-J12
Task 951 of 4096 (0,1,3,1,1,7) R15-M1-N09-J12
Task 952 of 4096 (0,1,3,1,1,8) R15-M1-N09-J12
Task 953 of 4096 (0,1,3,1,1,9) R15-M1-N09-J12
Task 954 of 4096 (0,1,3,1,1,10) R15-M1-N09-J12
Task 955 of 4096 (0,1,3,1,1,11) R15-M1-N09-J12
Task 956 of 4096 (0,1,3,1,1,12) R15-M1-N09-J12
Task 957 of 4096 (0,1,3,1,1,13) R15-M1-N09-J12
Task 958 of 4096 (0,1,3,1,1,14) R15-M1-N09-J12
Task 959 of 4096 (0,1,3,1,1,15) R15-M1-N09-J12
Task 960 of 4096 (0,1,3,2,0,0) R15-M1-N11-J11
Task 961 of 4096 (0,1,3,2,0,1) R15-M1-N11-J11
Task 962 of 4096 (0,1,3,2,0,2) R15-M1-N11-J11
Task 963 of 4096 (0,1,3,2,0,3) R15-M1-N11-J11
Task 964 of 4096 (0,1,3,2,0,4) R15-M1-N11-J11
Task 965 of 4096 (0,1,3,2,0,5) R15-M1-N11-J11
Task 966 of 4096 (0,1,3,2,0,6) R15-M1-N11-J11
Task 967 of 4096 (0,1,3,2,0,7) R15-M1-N11-J11
Task 968 of 4096 (0,1,3,2,0,8) R15-M1-N11-J11
Task 969 of 4096 (0,1,3,2,0,9) R15-M1-N11-J11
Task 970 of 4096 (0,1,3,2,0,10) R15-M1-N11-J11
Task 971 of 4096 (0,1,3,2,0,11) R15-M1-N11-J11
Task 972 of 4096 (0,1,3,2,0,12) R15-M1-N11-J11
Task 973 of 4096 (0,1,3,2,0,13) R15-M1-N11-J11
Task 974 of 4096 (0,1,3,2,0,14) R15-M1-N11-J11
Task 975 of 4096 (0,1,3,2,0,15) R15-M1-N11-J11
Task 976 of 4096 (0,1,3,2,1,0) R15-M1-N11-J12
Task 977 of 4096 (0,1,3,2,1,1) R15-M1-N11-J12
Task 978 of 4096 (0,1,3,2,1,2) R15-M1-N11-J12
Task 979 of 4096 (0,1,3,2,1,3) R15-M1-N11-J12
Task 980 of 4096 (0,1,3,2,1,4) R15-M1-N11-J12
Task 981 of 4096 (0,1,3,2,1,5) R15-M1-N11-J12
Task 982 of 4096 (0,1,3,2,1,6) R15-M1-N11-J12
Task 983 of 4096 (0,1,3,2,1,7) R15-M1-N11-J12
Task 984 of 4096 (0,1,3,2,1,8) R15-M1-N11-J12
Task 985 of 4096 (0,1,3,2,1,9) R15-M1-N11-J12
Task 986 of 4096 (0,1,3,2,1,10) R15-M1-N11-J12
Task 987 of 4096 (0,1,3,2,1,11) R15-M1-N11-J12
Task 988 of 4096 (0,1,3,2,1,12) R15-M1-N11-J12
Task 989 of 4096 (0,1,3,2,1,13) R15-M1-N11-J12
Task 990 of 4096 (0,1,3,2,1,14) R15-M1-N11-J12
Task 991 of 4096 (0,1,3,2,1,15) R15-M1-N11-J12
Task 992 of 4096 (0,1,3,3,0,0) R15-M1-N11-J07
Task 993 of 4096 (0,1,3,3,0,1) R15-M1-N11-J07
Task 994 of 4096 (0,1,3,3,0,2) R15-M1-N11-J07
Task 995 of 4096 (0,1,3,3,0,3) R15-M1-N11-J07
Task 996 of 4096 (0,1,3,3,0,4) R15-M1-N11-J07
Task 997 of 4096 (0,1,3,3,0,5) R15-M1-N11-J07
Task 998 of 4096 (0,1,3,3,0,6) R15-M1-N11-J07
Task 999 of 4096 (0,1,3,3,0,7) R15-M1-N11-J07
Task 1000 of 4096 (0,1,3,3,0,8) R15-M1-N11-J07
Task 1001 of 4096 (0,1,3,3,0,9) R15-M1-N11-J07
Task 1002 of 4096 (0,1,3,3,0,10) R15-M1-N11-J07
Task 1003 of 4096 (0,1,3,3,0,11) R15-M1-N11-J07
Task 1004 of 4096 (0,1,3,3,0,12) R15-M1-N11-J07
Task 1005 of 4096 (0,1,3,3,0,13) R15-M1-N11-J07
Task 1006 of 4096 (0,1,3,3,0,14) R15-M1-N11-J07
Task 1007 of 4096 (0,1,3,3,0,15) R15-M1-N11-J07
Task 1008 of 4096 (0,1,3,3,1,0) R15-M1-N11-J00
Task 1009 of 4096 (0,1,3,3,1,1) R15-M1-N11-J00
Task 1010 of 4096 (0,1,3,3,1,2) R15-M1-N11-J00
Task 1011 of 4096 (0,1,3,3,1,3) R15-M1-N11-J00
Task 1012 of 4096 (0,1,3,3,1,4) R15-M1-N11-J00
Task 1013 of 4096 (0,1,3,3,1,5) R15-M1-N11-J00
Task 1014 of 4096 (0,1,3,3,1,6) R15-M1-N11-J00
Task 1015 of 4096 (0,1,3,3,1,7) R15-M1-N11-J00
Task 1016 of 4096 (0,1,3,3,1,8) R15-M1-N11-J00
Task 1017 of 4096 (0,1,3,3,1,9) R15-M1-N11-J00
Task 1018 of 4096 (0,1,3,3,1,10) R15-M1-N11-J00
Task 1019 of 4096 (0,1,3,3,1,11) R15-M1-N11-J00
Task 1020 of 4096 (0,1,3,3,1,12) R15-M1-N11-J00
Task 1021 of 4096 (0,1,3,3,1,13) R15-M1-N11-J00
Task 1022 of 4096 (0,1,3,3,1,14) R15-M1-N11-J00
Task 1023 of 4096 (0,1,3,3,1,15) R15-M1-N11-J00
Task 1024 of 4096 (1,0,0,0,0,0) R15-M1-N08-J25
Task 1025 of 4096 (1,0,0,0,0,1) R15-M1-N08-J25
Task 1026 of 4096 (1,0,0,0,0,2) R15-M1-N08-J25
Task 1027 of 4096 (1,0,0,0,0,3) R15-M1-N08-J25
Task 1028 of 4096 (1,0,0,0,0,4) R15-M1-N08-J25
Task 1029 of 4096 (1,0,0,0,0,5) R15-M1-N08-J25
Task 1030 of 4096 (1,0,0,0,0,6) R15-M1-N08-J25
Task 1031 of 4096 (1,0,0,0,0,7) R15-M1-N08-J25
Task 1032 of 4096 (1,0,0,0,0,8) R15-M1-N08-J25
Task 1033 of 4096 (1,0,0,0,0,9) R15-M1-N08-J25
Task 1034 of 4096 (1,0,0,0,0,10) R15-M1-N08-J25
Task 1035 of 4096 (1,0,0,0,0,11) R15-M1-N08-J25
Task 1036 of 4096 (1,0,0,0,0,12) R15-M1-N08-J25
Task 1037 of 4096 (1,0,0,0,0,13) R15-M1-N08-J25
Task 1038 of 4096 (1,0,0,0,0,14) R15-M1-N08-J25
Task 1039 of 4096 (1,0,0,0,0,15) R15-M1-N08-J25
Task 1040 of 4096 (1,0,0,0,1,0) R15-M1-N08-J30
Task 1041 of 4096 (1,0,0,0,1,1) R15-M1-N08-J30
Task 1042 of 4096 (1,0,0,0,1,2) R15-M1-N08-J30
Task 1043 of 4096 (1,0,0,0,1,3) R15-M1-N08-J30
Task 1044 of 4096 (1,0,0,0,1,4) R15-M1-N08-J30
Task 1045 of 4096 (1,0,0,0,1,5) R15-M1-N08-J30
Task 1046 of 4096 (1,0,0,0,1,6) R15-M1-N08-J30
Task 1047 of 4096 (1,0,0,0,1,7) R15-M1-N08-J30
Task 1048 of 4096 (1,0,0,0,1,8) R15-M1-N08-J30
Task 1049 of 4096 (1,0,0,0,1,9) R15-M1-N08-J30
Task 1050 of 4096 (1,0,0,0,1,10) R15-M1-N08-J30
Task 1051 of 4096 (1,0,0,0,1,11) R15-M1-N08-J30
Task 1052 of 4096 (1,0,0,0,1,12) R15-M1-N08-J30
Task 1053 of 4096 (1,0,0,0,1,13) R15-M1-N08-J30
Task 1054 of 4096 (1,0,0,0,1,14) R15-M1-N08-J30
Task 1055 of 4096 (1,0,0,0,1,15) R15-M1-N08-J30
Task 1056 of 4096 (1,0,0,1,0,0) R15-M1-N08-J21
Task 1057 of 4096 (1,0,0,1,0,1) R15-M1-N08-J21
Task 1058 of 4096 (1,0,0,1,0,2) R15-M1-N08-J21
Task 1059 of 4096 (1,0,0,1,0,3) R15-M1-N08-J21
Task 1060 of 4096 (1,0,0,1,0,4) R15-M1-N08-J21
Task 1061 of 4096 (1,0,0,1,0,5) R15-M1-N08-J21
Task 1062 of 4096 (1,0,0,1,0,6) R15-M1-N08-J21
Task 1063 of 4096 (1,0,0,1,0,7) R15-M1-N08-J21
Task 1064 of 4096 (1,0,0,1,0,8) R15-M1-N08-J21
Task 1065 of 4096 (1,0,0,1,0,9) R15-M1-N08-J21
Task 1066 of 4096 (1,0,0,1,0,10) R15-M1-N08-J21
Task 1067 of 4096 (1,0,0,1,0,11) R15-M1-N08-J21
Task 1068 of 4096 (1,0,0,1,0,12) R15-M1-N08-J21
Task 1069 of 4096 (1,0,0,1,0,13) R15-M1-N08-J21
Task 1070 of 4096 (1,0,0,1,0,14) R15-M1-N08-J21
Task 1071 of 4096 (1,0,0,1,0,15) R15-M1-N08-J21
Task 1072 of 4096 (1,0,0,1,1,0) R15-M1-N08-J18
Task 1073 of 4096 (1,0,0,1,1,1) R15-M1-N08-J18
Task 1074 of 4096 (1,0,0,1,1,2) R15-M1-N08-J18
Task 1075 of 4096 (1,0,0,1,1,3) R15-M1-N08-J18
Task 1076 of 4096 (1,0,0,1,1,4) R15-M1-N08-J18
Task 1077 of 4096 (1,0,0,1,1,5) R15-M1-N08-J18
Task 1078 of 4096 (1,0,0,1,1,6) R15-M1-N08-J18
Task 1079 of 4096 (1,0,0,1,1,7) R15-M1-N08-J18
Task 1080 of 4096 (1,0,0,1,1,8) R15-M1-N08-J18
Task 1081 of 4096 (1,0,0,1,1,9) R15-M1-N08-J18
Task 1082 of 4096 (1,0,0,1,1,10) R15-M1-N08-J18
Task 1083 of 4096 (1,0,0,1,1,11) R15-M1-N08-J18
Task 1084 of 4096 (1,0,0,1,1,12) R15-M1-N08-J18
Task 1085 of 4096 (1,0,0,1,1,13) R15-M1-N08-J18
Task 1086 of 4096 (1,0,0,1,1,14) R15-M1-N08-J18
Task 1087 of 4096 (1,0,0,1,1,15) R15-M1-N08-J18
Task 1088 of 4096 (1,0,0,2,0,0) R15-M1-N10-J21
Task 1089 of 4096 (1,0,0,2,0,1) R15-M1-N10-J21
Task 1090 of 4096 (1,0,0,2,0,2) R15-M1-N10-J21
Task 1091 of 4096 (1,0,0,2,0,3) R15-M1-N10-J21
Task 1092 of 4096 (1,0,0,2,0,4) R15-M1-N10-J21
Task 1093 of 4096 (1,0,0,2,0,5) R15-M1-N10-J21
Task 1094 of 4096 (1,0,0,2,0,6) R15-M1-N10-J21
Task 1095 of 4096 (1,0,0,2,0,7) R15-M1-N10-J21
Task 1096 of 4096 (1,0,0,2,0,8) R15-M1-N10-J21
Task 1097 of 4096 (1,0,0,2,0,9) R15-M1-N10-J21
Task 1098 of 4096 (1,0,0,2,0,10) R15-M1-N10-J21
Task 1099 of 4096 (1,0,0,2,0,11) R15-M1-N10-J21
Task 1100 of 4096 (1,0,0,2,0,12) R15-M1-N10-J21
Task 1101 of 4096 (1,0,0,2,0,13) R15-M1-N10-J21
Task 1102 of 4096 (1,0,0,2,0,14) R15-M1-N10-J21
Task 1103 of 4096 (1,0,0,2,0,15) R15-M1-N10-J21
Task 1104 of 4096 (1,0,0,2,1,0) R15-M1-N10-J18
Task 1105 of 4096 (1,0,0,2,1,1) R15-M1-N10-J18
Task 1106 of 4096 (1,0,0,2,1,2) R15-M1-N10-J18
Task 1107 of 4096 (1,0,0,2,1,3) R15-M1-N10-J18
Task 1108 of 4096 (1,0,0,2,1,4) R15-M1-N10-J18
Task 1109 of 4096 (1,0,0,2,1,5) R15-M1-N10-J18
Task 1110 of 4096 (1,0,0,2,1,6) R15-M1-N10-J18
Task 1111 of 4096 (1,0,0,2,1,7) R15-M1-N10-J18
Task 1112 of 4096 (1,0,0,2,1,8) R15-M1-N10-J18
Task 1113 of 4096 (1,0,0,2,1,9) R15-M1-N10-J18
Task 1114 of 4096 (1,0,0,2,1,10) R15-M1-N10-J18
Task 1115 of 4096 (1,0,0,2,1,11) R15-M1-N10-J18
Task 1116 of 4096 (1,0,0,2,1,12) R15-M1-N10-J18
Task 1117 of 4096 (1,0,0,2,1,13) R15-M1-N10-J18
Task 1118 of 4096 (1,0,0,2,1,14) R15-M1-N10-J18
Task 1119 of 4096 (1,0,0,2,1,15) R15-M1-N10-J18
Task 1120 of 4096 (1,0,0,3,0,0) R15-M1-N10-J25
Task 1121 of 4096 (1,0,0,3,0,1) R15-M1-N10-J25
Task 1122 of 4096 (1,0,0,3,0,2) R15-M1-N10-J25
Task 1123 of 4096 (1,0,0,3,0,3) R15-M1-N10-J25
Task 1124 of 4096 (1,0,0,3,0,4) R15-M1-N10-J25
Task 1125 of 4096 (1,0,0,3,0,5) R15-M1-N10-J25
Task 1126 of 4096 (1,0,0,3,0,6) R15-M1-N10-J25
Task 1127 of 4096 (1,0,0,3,0,7) R15-M1-N10-J25
Task 1128 of 4096 (1,0,0,3,0,8) R15-M1-N10-J25
Task 1129 of 4096 (1,0,0,3,0,9) R15-M1-N10-J25
Task 1130 of 4096 (1,0,0,3,0,10) R15-M1-N10-J25
Task 1131 of 4096 (1,0,0,3,0,11) R15-M1-N10-J25
Task 1132 of 4096 (1,0,0,3,0,12) R15-M1-N10-J25
Task 1133 of 4096 (1,0,0,3,0,13) R15-M1-N10-J25
Task 1134 of 4096 (1,0,0,3,0,14) R15-M1-N10-J25
Task 1135 of 4096 (1,0,0,3,0,15) R15-M1-N10-J25
Task 1136 of 4096 (1,0,0,3,1,0) R15-M1-N10-J30
Task 1137 of 4096 (1,0,0,3,1,1) R15-M1-N10-J30
Task 1138 of 4096 (1,0,0,3,1,2) R15-M1-N10-J30
Task 1139 of 4096 (1,0,0,3,1,3) R15-M1-N10-J30
Task 1140 of 4096 (1,0,0,3,1,4) R15-M1-N10-J30
Task 1141 of 4096 (1,0,0,3,1,5) R15-M1-N10-J30
Task 1142 of 4096 (1,0,0,3,1,6) R15-M1-N10-J30
Task 1143 of 4096 (1,0,0,3,1,7) R15-M1-N10-J30
Task 1144 of 4096 (1,0,0,3,1,8) R15-M1-N10-J30
Task 1145 of 4096 (1,0,0,3,1,9) R15-M1-N10-J30
Task 1146 of 4096 (1,0,0,3,1,10) R15-M1-N10-J30
Task 1147 of 4096 (1,0,0,3,1,11) R15-M1-N10-J30
Task 1148 of 4096 (1,0,0,3,1,12) R15-M1-N10-J30
Task 1149 of 4096 (1,0,0,3,1,13) R15-M1-N10-J30
Task 1150 of 4096 (1,0,0,3,1,14) R15-M1-N10-J30
Task 1151 of 4096 (1,0,0,3,1,15) R15-M1-N10-J30
Task 1152 of 4096 (1,0,1,0,0,0) R15-M1-N08-J24
Task 1153 of 4096 (1,0,1,0,0,1) R15-M1-N08-J24
Task 1154 of 4096 (1,0,1,0,0,2) R15-M1-N08-J24
Task 1155 of 4096 (1,0,1,0,0,3) R15-M1-N08-J24
Task 1156 of 4096 (1,0,1,0,0,4) R15-M1-N08-J24
Task 1157 of 4096 (1,0,1,0,0,5) R15-M1-N08-J24
Task 1158 of 4096 (1,0,1,0,0,6) R15-M1-N08-J24
Task 1159 of 4096 (1,0,1,0,0,7) R15-M1-N08-J24
Task 1160 of 4096 (1,0,1,0,0,8) R15-M1-N08-J24
Task 1161 of 4096 (1,0,1,0,0,9) R15-M1-N08-J24
Task 1162 of 4096 (1,0,1,0,0,10) R15-M1-N08-J24
Task 1163 of 4096 (1,0,1,0,0,11) R15-M1-N08-J24
Task 1164 of 4096 (1,0,1,0,0,12) R15-M1-N08-J24
Task 1165 of 4096 (1,0,1,0,0,13) R15-M1-N08-J24
Task 1166 of 4096 (1,0,1,0,0,14) R15-M1-N08-J24
Task 1167 of 4096 (1,0,1,0,0,15) R15-M1-N08-J24
Task 1168 of 4096 (1,0,1,0,1,0) R15-M1-N08-J31
Task 1169 of 4096 (1,0,1,0,1,1) R15-M1-N08-J31
Task 1170 of 4096 (1,0,1,0,1,2) R15-M1-N08-J31
Task 1171 of 4096 (1,0,1,0,1,3) R15-M1-N08-J31
Task 1172 of 4096 (1,0,1,0,1,4) R15-M1-N08-J31
Task 1173 of 4096 (1,0,1,0,1,5) R15-M1-N08-J31
Task 1174 of 4096 (1,0,1,0,1,6) R15-M1-N08-J31
Task 1175 of 4096 (1,0,1,0,1,7) R15-M1-N08-J31
Task 1176 of 4096 (1,0,1,0,1,8) R15-M1-N08-J31
Task 1177 of 4096 (1,0,1,0,1,9) R15-M1-N08-J31
Task 1178 of 4096 (1,0,1,0,1,10) R15-M1-N08-J31
Task 1179 of 4096 (1,0,1,0,1,11) R15-M1-N08-J31
Task 1180 of 4096 (1,0,1,0,1,12) R15-M1-N08-J31
Task 1181 of 4096 (1,0,1,0,1,13) R15-M1-N08-J31
Task 1182 of 4096 (1,0,1,0,1,14) R15-M1-N08-J31
Task 1183 of 4096 (1,0,1,0,1,15) R15-M1-N08-J31
Task 1184 of 4096 (1,0,1,1,0,0) R15-M1-N08-J20
Task 1185 of 4096 (1,0,1,1,0,1) R15-M1-N08-J20
Task 1186 of 4096 (1,0,1,1,0,2) R15-M1-N08-J20
Task 1187 of 4096 (1,0,1,1,0,3) R15-M1-N08-J20
Task 1188 of 4096 (1,0,1,1,0,4) R15-M1-N08-J20
Task 1189 of 4096 (1,0,1,1,0,5) R15-M1-N08-J20
Task 1190 of 4096 (1,0,1,1,0,6) R15-M1-N08-J20
Task 1191 of 4096 (1,0,1,1,0,7) R15-M1-N08-J20
Task 1192 of 4096 (1,0,1,1,0,8) R15-M1-N08-J20
Task 1193 of 4096 (1,0,1,1,0,9) R15-M1-N08-J20
Task 1194 of 4096 (1,0,1,1,0,10) R15-M1-N08-J20
Task 1195 of 4096 (1,0,1,1,0,11) R15-M1-N08-J20
Task 1196 of 4096 (1,0,1,1,0,12) R15-M1-N08-J20
Task 1197 of 4096 (1,0,1,1,0,13) R15-M1-N08-J20
Task 1198 of 4096 (1,0,1,1,0,14) R15-M1-N08-J20
Task 1199 of 4096 (1,0,1,1,0,15) R15-M1-N08-J20
Task 1200 of 4096 (1,0,1,1,1,0) R15-M1-N08-J19
Task 1201 of 4096 (1,0,1,1,1,1) R15-M1-N08-J19
Task 1202 of 4096 (1,0,1,1,1,2) R15-M1-N08-J19
Task 1203 of 4096 (1,0,1,1,1,3) R15-M1-N08-J19
Task 1204 of 4096 (1,0,1,1,1,4) R15-M1-N08-J19
Task 1205 of 4096 (1,0,1,1,1,5) R15-M1-N08-J19
Task 1206 of 4096 (1,0,1,1,1,6) R15-M1-N08-J19
Task 1207 of 4096 (1,0,1,1,1,7) R15-M1-N08-J19
Task 1208 of 4096 (1,0,1,1,1,8) R15-M1-N08-J19
Task 1209 of 4096 (1,0,1,1,1,9) R15-M1-N08-J19
Task 1210 of 4096 (1,0,1,1,1,10) R15-M1-N08-J19
Task 1211 of 4096 (1,0,1,1,1,11) R15-M1-N08-J19
Task 1212 of 4096 (1,0,1,1,1,12) R15-M1-N08-J19
Task 1213 of 4096 (1,0,1,1,1,13) R15-M1-N08-J19
Task 1214 of 4096 (1,0,1,1,1,14) R15-M1-N08-J19
Task 1215 of 4096 (1,0,1,1,1,15) R15-M1-N08-J19
Task 1216 of 4096 (1,0,1,2,0,0) R15-M1-N10-J20
Task 1217 of 4096 (1,0,1,2,0,1) R15-M1-N10-J20
Task 1218 of 4096 (1,0,1,2,0,2) R15-M1-N10-J20
Task 1219 of 4096 (1,0,1,2,0,3) R15-M1-N10-J20
Task 1220 of 4096 (1,0,1,2,0,4) R15-M1-N10-J20
Task 1221 of 4096 (1,0,1,2,0,5) R15-M1-N10-J20
Task 1222 of 4096 (1,0,1,2,0,6) R15-M1-N10-J20
Task 1223 of 4096 (1,0,1,2,0,7) R15-M1-N10-J20
Task 1224 of 4096 (1,0,1,2,0,8) R15-M1-N10-J20
Task 1225 of 4096 (1,0,1,2,0,9) R15-M1-N10-J20
Task 1226 of 4096 (1,0,1,2,0,10) R15-M1-N10-J20
Task 1227 of 4096 (1,0,1,2,0,11) R15-M1-N10-J20
Task 1228 of 4096 (1,0,1,2,0,12) R15-M1-N10-J20
Task 1229 of 4096 (1,0,1,2,0,13) R15-M1-N10-J20
Task 1230 of 4096 (1,0,1,2,0,14) R15-M1-N10-J20
Task 1231 of 4096 (1,0,1,2,0,15) R15-M1-N10-J20
Task 1232 of 4096 (1,0,1,2,1,0) R15-M1-N10-J19
Task 1233 of 4096 (1,0,1,2,1,1) R15-M1-N10-J19
Task 1234 of 4096 (1,0,1,2,1,2) R15-M1-N10-J19
Task 1235 of 4096 (1,0,1,2,1,3) R15-M1-N10-J19
Task 1236 of 4096 (1,0,1,2,1,4) R15-M1-N10-J19
Task 1237 of 4096 (1,0,1,2,1,5) R15-M1-N10-J19
Task 1238 of 4096 (1,0,1,2,1,6) R15-M1-N10-J19
Task 1239 of 4096 (1,0,1,2,1,7) R15-M1-N10-J19
Task 1240 of 4096 (1,0,1,2,1,8) R15-M1-N10-J19
Task 1241 of 4096 (1,0,1,2,1,9) R15-M1-N10-J19
Task 1242 of 4096 (1,0,1,2,1,10) R15-M1-N10-J19
Task 1243 of 4096 (1,0,1,2,1,11) R15-M1-N10-J19
Task 1244 of 4096 (1,0,1,2,1,12) R15-M1-N10-J19
Task 1245 of 4096 (1,0,1,2,1,13) R15-M1-N10-J19
Task 1246 of 4096 (1,0,1,2,1,14) R15-M1-N10-J19
Task 1247 of 4096 (1,0,1,2,1,15) R15-M1-N10-J19
Task 1248 of 4096 (1,0,1,3,0,0) R15-M1-N10-J24
Task 1249 of 4096 (1,0,1,3,0,1) R15-M1-N10-J24
Task 1250 of 4096 (1,0,1,3,0,2) R15-M1-N10-J24
Task 1251 of 4096 (1,0,1,3,0,3) R15-M1-N10-J24
Task 1252 of 4096 (1,0,1,3,0,4) R15-M1-N10-J24
Task 1253 of 4096 (1,0,1,3,0,5) R15-M1-N10-J24
Task 1254 of 4096 (1,0,1,3,0,6) R15-M1-N10-J24
Task 1255 of 4096 (1,0,1,3,0,7) R15-M1-N10-J24
Task 1256 of 4096 (1,0,1,3,0,8) R15-M1-N10-J24
Task 1257 of 4096 (1,0,1,3,0,9) R15-M1-N10-J24
Task 1258 of 4096 (1,0,1,3,0,10) R15-M1-N10-J24
Task 1259 of 4096 (1,0,1,3,0,11) R15-M1-N10-J24
Task 1260 of 4096 (1,0,1,3,0,12) R15-M1-N10-J24
Task 1261 of 4096 (1,0,1,3,0,13) R15-M1-N10-J24
Task 1262 of 4096 (1,0,1,3,0,14) R15-M1-N10-J24
Task 1263 of 4096 (1,0,1,3,0,15) R15-M1-N10-J24
Task 1264 of 4096 (1,0,1,3,1,0) R15-M1-N10-J31
Task 1265 of 4096 (1,0,1,3,1,1) R15-M1-N10-J31
Task 1266 of 4096 (1,0,1,3,1,2) R15-M1-N10-J31
Task 1267 of 4096 (1,0,1,3,1,3) R15-M1-N10-J31
Task 1268 of 4096 (1,0,1,3,1,4) R15-M1-N10-J31
Task 1269 of 4096 (1,0,1,3,1,5) R15-M1-N10-J31
Task 1270 of 4096 (1,0,1,3,1,6) R15-M1-N10-J31
Task 1271 of 4096 (1,0,1,3,1,7) R15-M1-N10-J31
Task 1272 of 4096 (1,0,1,3,1,8) R15-M1-N10-J31
Task 1273 of 4096 (1,0,1,3,1,9) R15-M1-N10-J31
Task 1274 of 4096 (1,0,1,3,1,10) R15-M1-N10-J31
Task 1275 of 4096 (1,0,1,3,1,11) R15-M1-N10-J31
Task 1276 of 4096 (1,0,1,3,1,12) R15-M1-N10-J31
Task 1277 of 4096 (1,0,1,3,1,13) R15-M1-N10-J31
Task 1278 of 4096 (1,0,1,3,1,14) R15-M1-N10-J31
Task 1279 of 4096 (1,0,1,3,1,15) R15-M1-N10-J31
Task 1280 of 4096 (1,0,2,0,0,0) R15-M1-N09-J24
Task 1281 of 4096 (1,0,2,0,0,1) R15-M1-N09-J24
Task 1282 of 4096 (1,0,2,0,0,2) R15-M1-N09-J24
Task 1283 of 4096 (1,0,2,0,0,3) R15-M1-N09-J24
Task 1284 of 4096 (1,0,2,0,0,4) R15-M1-N09-J24
Task 1285 of 4096 (1,0,2,0,0,5) R15-M1-N09-J24
Task 1286 of 4096 (1,0,2,0,0,6) R15-M1-N09-J24
Task 1287 of 4096 (1,0,2,0,0,7) R15-M1-N09-J24
Task 1288 of 4096 (1,0,2,0,0,8) R15-M1-N09-J24
Task 1289 of 4096 (1,0,2,0,0,9) R15-M1-N09-J24
Task 1290 of 4096 (1,0,2,0,0,10) R15-M1-N09-J24
Task 1291 of 4096 (1,0,2,0,0,11) R15-M1-N09-J24
Task 1292 of 4096 (1,0,2,0,0,12) R15-M1-N09-J24
Task 1293 of 4096 (1,0,2,0,0,13) R15-M1-N09-J24
Task 1294 of 4096 (1,0,2,0,0,14) R15-M1-N09-J24
Task 1295 of 4096 (1,0,2,0,0,15) R15-M1-N09-J24
Task 1296 of 4096 (1,0,2,0,1,0) R15-M1-N09-J31
Task 1297 of 4096 (1,0,2,0,1,1) R15-M1-N09-J31
Task 1298 of 4096 (1,0,2,0,1,2) R15-M1-N09-J31
Task 1299 of 4096 (1,0,2,0,1,3) R15-M1-N09-J31
Task 1300 of 4096 (1,0,2,0,1,4) R15-M1-N09-J31
Task 1301 of 4096 (1,0,2,0,1,5) R15-M1-N09-J31
Task 1302 of 4096 (1,0,2,0,1,6) R15-M1-N09-J31
Task 1303 of 4096 (1,0,2,0,1,7) R15-M1-N09-J31
Task 1304 of 4096 (1,0,2,0,1,8) R15-M1-N09-J31
Task 1305 of 4096 (1,0,2,0,1,9) R15-M1-N09-J31
Task 1306 of 4096 (1,0,2,0,1,10) R15-M1-N09-J31
Task 1307 of 4096 (1,0,2,0,1,11) R15-M1-N09-J31
Task 1308 of 4096 (1,0,2,0,1,12) R15-M1-N09-J31
Task 1309 of 4096 (1,0,2,0,1,13) R15-M1-N09-J31
Task 1310 of 4096 (1,0,2,0,1,14) R15-M1-N09-J31
Task 1311 of 4096 (1,0,2,0,1,15) R15-M1-N09-J31
Task 1312 of 4096 (1,0,2,1,0,0) R15-M1-N09-J20
Task 1313 of 4096 (1,0,2,1,0,1) R15-M1-N09-J20
Task 1314 of 4096 (1,0,2,1,0,2) R15-M1-N09-J20
Task 1315 of 4096 (1,0,2,1,0,3) R15-M1-N09-J20
Task 1316 of 4096 (1,0,2,1,0,4) R15-M1-N09-J20
Task 1317 of 4096 (1,0,2,1,0,5) R15-M1-N09-J20
Task 1318 of 4096 (1,0,2,1,0,6) R15-M1-N09-J20
Task 1319 of 4096 (1,0,2,1,0,7) R15-M1-N09-J20
Task 1320 of 4096 (1,0,2,1,0,8) R15-M1-N09-J20
Task 1321 of 4096 (1,0,2,1,0,9) R15-M1-N09-J20
Task 1322 of 4096 (1,0,2,1,0,10) R15-M1-N09-J20
Task 1323 of 4096 (1,0,2,1,0,11) R15-M1-N09-J20
Task 1324 of 4096 (1,0,2,1,0,12) R15-M1-N09-J20
Task 1325 of 4096 (1,0,2,1,0,13) R15-M1-N09-J20
Task 1326 of 4096 (1,0,2,1,0,14) R15-M1-N09-J20
Task 1327 of 4096 (1,0,2,1,0,15) R15-M1-N09-J20
Task 1328 of 4096 (1,0,2,1,1,0) R15-M1-N09-J19
Task 1329 of 4096 (1,0,2,1,1,1) R15-M1-N09-J19
Task 1330 of 4096 (1,0,2,1,1,2) R15-M1-N09-J19
Task 1331 of 4096 (1,0,2,1,1,3) R15-M1-N09-J19
Task 1332 of 4096 (1,0,2,1,1,4) R15-M1-N09-J19
Task 1333 of 4096 (1,0,2,1,1,5) R15-M1-N09-J19
Task 1334 of 4096 (1,0,2,1,1,6) R15-M1-N09-J19
Task 1335 of 4096 (1,0,2,1,1,7) R15-M1-N09-J19
Task 1336 of 4096 (1,0,2,1,1,8) R15-M1-N09-J19
Task 1337 of 4096 (1,0,2,1,1,9) R15-M1-N09-J19
Task 1338 of 4096 (1,0,2,1,1,10) R15-M1-N09-J19
Task 1339 of 4096 (1,0,2,1,1,11) R15-M1-N09-J19
Task 1340 of 4096 (1,0,2,1,1,12) R15-M1-N09-J19
Task 1341 of 4096 (1,0,2,1,1,13) R15-M1-N09-J19
Task 1342 of 4096 (1,0,2,1,1,14) R15-M1-N09-J19
Task 1343 of 4096 (1,0,2,1,1,15) R15-M1-N09-J19
Task 1344 of 4096 (1,0,2,2,0,0) R15-M1-N11-J20
Task 1345 of 4096 (1,0,2,2,0,1) R15-M1-N11-J20
Task 1346 of 4096 (1,0,2,2,0,2) R15-M1-N11-J20
Task 1347 of 4096 (1,0,2,2,0,3) R15-M1-N11-J20
Task 1348 of 4096 (1,0,2,2,0,4) R15-M1-N11-J20
Task 1349 of 4096 (1,0,2,2,0,5) R15-M1-N11-J20
Task 1350 of 4096 (1,0,2,2,0,6) R15-M1-N11-J20
Task 1351 of 4096 (1,0,2,2,0,7) R15-M1-N11-J20
Task 1352 of 4096 (1,0,2,2,0,8) R15-M1-N11-J20
Task 1353 of 4096 (1,0,2,2,0,9) R15-M1-N11-J20
Task 1354 of 4096 (1,0,2,2,0,10) R15-M1-N11-J20
Task 1355 of 4096 (1,0,2,2,0,11) R15-M1-N11-J20
Task 1356 of 4096 (1,0,2,2,0,12) R15-M1-N11-J20
Task 1357 of 4096 (1,0,2,2,0,13) R15-M1-N11-J20
Task 1358 of 4096 (1,0,2,2,0,14) R15-M1-N11-J20
Task 1359 of 4096 (1,0,2,2,0,15) R15-M1-N11-J20
Task 1360 of 4096 (1,0,2,2,1,0) R15-M1-N11-J19
Task 1361 of 4096 (1,0,2,2,1,1) R15-M1-N11-J19
Task 1362 of 4096 (1,0,2,2,1,2) R15-M1-N11-J19
Task 1363 of 4096 (1,0,2,2,1,3) R15-M1-N11-J19
Task 1364 of 4096 (1,0,2,2,1,4) R15-M1-N11-J19
Task 1365 of 4096 (1,0,2,2,1,5) R15-M1-N11-J19
Task 1366 of 4096 (1,0,2,2,1,6) R15-M1-N11-J19
Task 1367 of 4096 (1,0,2,2,1,7) R15-M1-N11-J19
Task 1368 of 4096 (1,0,2,2,1,8) R15-M1-N11-J19
Task 1369 of 4096 (1,0,2,2,1,9) R15-M1-N11-J19
Task 1370 of 4096 (1,0,2,2,1,10) R15-M1-N11-J19
Task 1371 of 4096 (1,0,2,2,1,11) R15-M1-N11-J19
Task 1372 of 4096 (1,0,2,2,1,12) R15-M1-N11-J19
Task 1373 of 4096 (1,0,2,2,1,13) R15-M1-N11-J19
Task 1374 of 4096 (1,0,2,2,1,14) R15-M1-N11-J19
Task 1375 of 4096 (1,0,2,2,1,15) R15-M1-N11-J19
Task 1376 of 4096 (1,0,2,3,0,0) R15-M1-N11-J24
Task 1377 of 4096 (1,0,2,3,0,1) R15-M1-N11-J24
Task 1378 of 4096 (1,0,2,3,0,2) R15-M1-N11-J24
Task 1379 of 4096 (1,0,2,3,0,3) R15-M1-N11-J24
Task 1380 of 4096 (1,0,2,3,0,4) R15-M1-N11-J24
Task 1381 of 4096 (1,0,2,3,0,5) R15-M1-N11-J24
Task 1382 of 4096 (1,0,2,3,0,6) R15-M1-N11-J24
Task 1383 of 4096 (1,0,2,3,0,7) R15-M1-N11-J24
Task 1384 of 4096 (1,0,2,3,0,8) R15-M1-N11-J24
Task 1385 of 4096 (1,0,2,3,0,9) R15-M1-N11-J24
Task 1386 of 4096 (1,0,2,3,0,10) R15-M1-N11-J24
Task 1387 of 4096 (1,0,2,3,0,11) R15-M1-N11-J24
Task 1388 of 4096 (1,0,2,3,0,12) R15-M1-N11-J24
Task 1389 of 4096 (1,0,2,3,0,13) R15-M1-N11-J24
Task 1390 of 4096 (1,0,2,3,0,14) R15-M1-N11-J24
Task 1391 of 4096 (1,0,2,3,0,15) R15-M1-N11-J24
Task 1392 of 4096 (1,0,2,3,1,0) R15-M1-N11-J31
Task 1393 of 4096 (1,0,2,3,1,1) R15-M1-N11-J31
Task 1394 of 4096 (1,0,2,3,1,2) R15-M1-N11-J31
Task 1395 of 4096 (1,0,2,3,1,3) R15-M1-N11-J31
Task 1396 of 4096 (1,0,2,3,1,4) R15-M1-N11-J31
Task 1397 of 4096 (1,0,2,3,1,5) R15-M1-N11-J31
Task 1398 of 4096 (1,0,2,3,1,6) R15-M1-N11-J31
Task 1399 of 4096 (1,0,2,3,1,7) R15-M1-N11-J31
Task 1400 of 4096 (1,0,2,3,1,8) R15-M1-N11-J31
Task 1401 of 4096 (1,0,2,3,1,9) R15-M1-N11-J31
Task 1402 of 4096 (1,0,2,3,1,10) R15-M1-N11-J31
Task 1403 of 4096 (1,0,2,3,1,11) R15-M1-N11-J31
Task 1404 of 4096 (1,0,2,3,1,12) R15-M1-N11-J31
Task 1405 of 4096 (1,0,2,3,1,13) R15-M1-N11-J31
Task 1406 of 4096 (1,0,2,3,1,14) R15-M1-N11-J31
Task 1407 of 4096 (1,0,2,3,1,15) R15-M1-N11-J31
Task 1408 of 4096 (1,0,3,0,0,0) R15-M1-N09-J25
Task 1409 of 4096 (1,0,3,0,0,1) R15-M1-N09-J25
Task 1410 of 4096 (1,0,3,0,0,2) R15-M1-N09-J25
Task 1411 of 4096 (1,0,3,0,0,3) R15-M1-N09-J25
Task 1412 of 4096 (1,0,3,0,0,4) R15-M1-N09-J25
Task 1413 of 4096 (1,0,3,0,0,5) R15-M1-N09-J25
Task 1414 of 4096 (1,0,3,0,0,6) R15-M1-N09-J25
Task 1415 of 4096 (1,0,3,0,0,7) R15-M1-N09-J25
Task 1416 of 4096 (1,0,3,0,0,8) R15-M1-N09-J25
Task 1417 of 4096 (1,0,3,0,0,9) R15-M1-N09-J25
Task 1418 of 4096 (1,0,3,0,0,10) R15-M1-N09-J25
Task 1419 of 4096 (1,0,3,0,0,11) R15-M1-N09-J25
Task 1420 of 4096 (1,0,3,0,0,12) R15-M1-N09-J25
Task 1421 of 4096 (1,0,3,0,0,13) R15-M1-N09-J25
Task 1422 of 4096 (1,0,3,0,0,14) R15-M1-N09-J25
Task 1423 of 4096 (1,0,3,0,0,15) R15-M1-N09-J25
Task 1424 of 4096 (1,0,3,0,1,0) R15-M1-N09-J30
Task 1425 of 4096 (1,0,3,0,1,1) R15-M1-N09-J30
Task 1426 of 4096 (1,0,3,0,1,2) R15-M1-N09-J30
Task 1427 of 4096 (1,0,3,0,1,3) R15-M1-N09-J30
Task 1428 of 4096 (1,0,3,0,1,4) R15-M1-N09-J30
Task 1429 of 4096 (1,0,3,0,1,5) R15-M1-N09-J30
Task 1430 of 4096 (1,0,3,0,1,6) R15-M1-N09-J30
Task 1431 of 4096 (1,0,3,0,1,7) R15-M1-N09-J30
Task 1432 of 4096 (1,0,3,0,1,8) R15-M1-N09-J30
Task 1433 of 4096 (1,0,3,0,1,9) R15-M1-N09-J30
Task 1434 of 4096 (1,0,3,0,1,10) R15-M1-N09-J30
Task 1435 of 4096 (1,0,3,0,1,11) R15-M1-N09-J30
Task 1436 of 4096 (1,0,3,0,1,12) R15-M1-N09-J30
Task 1437 of 4096 (1,0,3,0,1,13) R15-M1-N09-J30
Task 1438 of 4096 (1,0,3,0,1,14) R15-M1-N09-J30
Task 1439 of 4096 (1,0,3,0,1,15) R15-M1-N09-J30
Task 1440 of 4096 (1,0,3,1,0,0) R15-M1-N09-J21
Task 1441 of 4096 (1,0,3,1,0,1) R15-M1-N09-J21
Task 1442 of 4096 (1,0,3,1,0,2) R15-M1-N09-J21
Task 1443 of 4096 (1,0,3,1,0,3) R15-M1-N09-J21
Task 1444 of 4096 (1,0,3,1,0,4) R15-M1-N09-J21
Task 1445 of 4096 (1,0,3,1,0,5) R15-M1-N09-J21
Task 1446 of 4096 (1,0,3,1,0,6) R15-M1-N09-J21
Task 1447 of 4096 (1,0,3,1,0,7) R15-M1-N09-J21
Task 1448 of 4096 (1,0,3,1,0,8) R15-M1-N09-J21
Task 1449 of 4096 (1,0,3,1,0,9) R15-M1-N09-J21
Task 1450 of 4096 (1,0,3,1,0,10) R15-M1-N09-J21
Task 1451 of 4096 (1,0,3,1,0,11) R15-M1-N09-J21
Task 1452 of 4096 (1,0,3,1,0,12) R15-M1-N09-J21
Task 1453 of 4096 (1,0,3,1,0,13) R15-M1-N09-J21
Task 1454 of 4096 (1,0,3,1,0,14) R15-M1-N09-J21
Task 1455 of 4096 (1,0,3,1,0,15) R15-M1-N09-J21
Task 1456 of 4096 (1,0,3,1,1,0) R15-M1-N09-J18
Task 1457 of 4096 (1,0,3,1,1,1) R15-M1-N09-J18
Task 1458 of 4096 (1,0,3,1,1,2) R15-M1-N09-J18
Task 1459 of 4096 (1,0,3,1,1,3) R15-M1-N09-J18
Task 1460 of 4096 (1,0,3,1,1,4) R15-M1-N09-J18
Task 1461 of 4096 (1,0,3,1,1,5) R15-M1-N09-J18
Task 1462 of 4096 (1,0,3,1,1,6) R15-M1-N09-J18
Task 1463 of 4096 (1,0,3,1,1,7) R15-M1-N09-J18
Task 1464 of 4096 (1,0,3,1,1,8) R15-M1-N09-J18
Task 1465 of 4096 (1,0,3,1,1,9) R15-M1-N09-J18
Task 1466 of 4096 (1,0,3,1,1,10) R15-M1-N09-J18
Task 1467 of 4096 (1,0,3,1,1,11) R15-M1-N09-J18
Task 1468 of 4096 (1,0,3,1,1,12) R15-M1-N09-J18
Task 1469 of 4096 (1,0,3,1,1,13) R15-M1-N09-J18
Task 1470 of 4096 (1,0,3,1,1,14) R15-M1-N09-J18
Task 1471 of 4096 (1,0,3,1,1,15) R15-M1-N09-J18
Task 1472 of 4096 (1,0,3,2,0,0) R15-M1-N11-J21
Task 1473 of 4096 (1,0,3,2,0,1) R15-M1-N11-J21
Task 1474 of 4096 (1,0,3,2,0,2) R15-M1-N11-J21
Task 1475 of 4096 (1,0,3,2,0,3) R15-M1-N11-J21
Task 1476 of 4096 (1,0,3,2,0,4) R15-M1-N11-J21
Task 1477 of 4096 (1,0,3,2,0,5) R15-M1-N11-J21
Task 1478 of 4096 (1,0,3,2,0,6) R15-M1-N11-J21
Task 1479 of 4096 (1,0,3,2,0,7) R15-M1-N11-J21
Task 1480 of 4096 (1,0,3,2,0,8) R15-M1-N11-J21
Task 1481 of 4096 (1,0,3,2,0,9) R15-M1-N11-J21
Task 1482 of 4096 (1,0,3,2,0,10) R15-M1-N11-J21
Task 1483 of 4096 (1,0,3,2,0,11) R15-M1-N11-J21
Task 1484 of 4096 (1,0,3,2,0,12) R15-M1-N11-J21
Task 1485 of 4096 (1,0,3,2,0,13) R15-M1-N11-J21
Task 1486 of 4096 (1,0,3,2,0,14) R15-M1-N11-J21
Task 1487 of 4096 (1,0,3,2,0,15) R15-M1-N11-J21
Task 1488 of 4096 (1,0,3,2,1,0) R15-M1-N11-J18
Task 1489 of 4096 (1,0,3,2,1,1) R15-M1-N11-J18
Task 1490 of 4096 (1,0,3,2,1,2) R15-M1-N11-J18
Task 1491 of 4096 (1,0,3,2,1,3) R15-M1-N11-J18
Task 1492 of 4096 (1,0,3,2,1,4) R15-M1-N11-J18
Task 1493 of 4096 (1,0,3,2,1,5) R15-M1-N11-J18
Task 1494 of 4096 (1,0,3,2,1,6) R15-M1-N11-J18
Task 1495 of 4096 (1,0,3,2,1,7) R15-M1-N11-J18
Task 1496 of 4096 (1,0,3,2,1,8) R15-M1-N11-J18
Task 1497 of 4096 (1,0,3,2,1,9) R15-M1-N11-J18
Task 1498 of 4096 (1,0,3,2,1,10) R15-M1-N11-J18
Task 1499 of 4096 (1,0,3,2,1,11) R15-M1-N11-J18
Task 1500 of 4096 (1,0,3,2,1,12) R15-M1-N11-J18
Task 1501 of 4096 (1,0,3,2,1,13) R15-M1-N11-J18
Task 1502 of 4096 (1,0,3,2,1,14) R15-M1-N11-J18
Task 1503 of 4096 (1,0,3,2,1,15) R15-M1-N11-J18
Task 1504 of 4096 (1,0,3,3,0,0) R15-M1-N11-J25
Task 1505 of 4096 (1,0,3,3,0,1) R15-M1-N11-J25
Task 1506 of 4096 (1,0,3,3,0,2) R15-M1-N11-J25
Task 1507 of 4096 (1,0,3,3,0,3) R15-M1-N11-J25
Task 1508 of 4096 (1,0,3,3,0,4) R15-M1-N11-J25
Task 1509 of 4096 (1,0,3,3,0,5) R15-M1-N11-J25
Task 1510 of 4096 (1,0,3,3,0,6) R15-M1-N11-J25
Task 1511 of 4096 (1,0,3,3,0,7) R15-M1-N11-J25
Task 1512 of 4096 (1,0,3,3,0,8) R15-M1-N11-J25
Task 1513 of 4096 (1,0,3,3,0,9) R15-M1-N11-J25
Task 1514 of 4096 (1,0,3,3,0,10) R15-M1-N11-J25
Task 1515 of 4096 (1,0,3,3,0,11) R15-M1-N11-J25
Task 1516 of 4096 (1,0,3,3,0,12) R15-M1-N11-J25
Task 1517 of 4096 (1,0,3,3,0,13) R15-M1-N11-J25
Task 1518 of 4096 (1,0,3,3,0,14) R15-M1-N11-J25
Task 1519 of 4096 (1,0,3,3,0,15) R15-M1-N11-J25
Task 1520 of 4096 (1,0,3,3,1,0) R15-M1-N11-J30
Task 1521 of 4096 (1,0,3,3,1,1) R15-M1-N11-J30
Task 1522 of 4096 (1,0,3,3,1,2) R15-M1-N11-J30
Task 1523 of 4096 (1,0,3,3,1,3) R15-M1-N11-J30
Task 1524 of 4096 (1,0,3,3,1,4) R15-M1-N11-J30
Task 1525 of 4096 (1,0,3,3,1,5) R15-M1-N11-J30
Task 1526 of 4096 (1,0,3,3,1,6) R15-M1-N11-J30
Task 1527 of 4096 (1,0,3,3,1,7) R15-M1-N11-J30
Task 1528 of 4096 (1,0,3,3,1,8) R15-M1-N11-J30
Task 1529 of 4096 (1,0,3,3,1,9) R15-M1-N11-J30
Task 1530 of 4096 (1,0,3,3,1,10) R15-M1-N11-J30
Task 1531 of 4096 (1,0,3,3,1,11) R15-M1-N11-J30
Task 1532 of 4096 (1,0,3,3,1,12) R15-M1-N11-J30
Task 1533 of 4096 (1,0,3,3,1,13) R15-M1-N11-J30
Task 1534 of 4096 (1,0,3,3,1,14) R15-M1-N11-J30
Task 1535 of 4096 (1,0,3,3,1,15) R15-M1-N11-J30
Task 1536 of 4096 (1,1,0,0,0,0) R15-M1-N08-J26
Task 1537 of 4096 (1,1,0,0,0,1) R15-M1-N08-J26
Task 1538 of 4096 (1,1,0,0,0,2) R15-M1-N08-J26
Task 1539 of 4096 (1,1,0,0,0,3) R15-M1-N08-J26
Task 1540 of 4096 (1,1,0,0,0,4) R15-M1-N08-J26
Task 1541 of 4096 (1,1,0,0,0,5) R15-M1-N08-J26
Task 1542 of 4096 (1,1,0,0,0,6) R15-M1-N08-J26
Task 1543 of 4096 (1,1,0,0,0,7) R15-M1-N08-J26
Task 1544 of 4096 (1,1,0,0,0,8) R15-M1-N08-J26
Task 1545 of 4096 (1,1,0,0,0,9) R15-M1-N08-J26
Task 1546 of 4096 (1,1,0,0,0,10) R15-M1-N08-J26
Task 1547 of 4096 (1,1,0,0,0,11) R15-M1-N08-J26
Task 1548 of 4096 (1,1,0,0,0,12) R15-M1-N08-J26
Task 1549 of 4096 (1,1,0,0,0,13) R15-M1-N08-J26
Task 1550 of 4096 (1,1,0,0,0,14) R15-M1-N08-J26
Task 1551 of 4096 (1,1,0,0,0,15) R15-M1-N08-J26
Task 1552 of 4096 (1,1,0,0,1,0) R15-M1-N08-J29
Task 1553 of 4096 (1,1,0,0,1,1) R15-M1-N08-J29
Task 1554 of 4096 (1,1,0,0,1,2) R15-M1-N08-J29
Task 1555 of 4096 (1,1,0,0,1,3) R15-M1-N08-J29
Task 1556 of 4096 (1,1,0,0,1,4) R15-M1-N08-J29
Task 1557 of 4096 (1,1,0,0,1,5) R15-M1-N08-J29
Task 1558 of 4096 (1,1,0,0,1,6) R15-M1-N08-J29
Task 1559 of 4096 (1,1,0,0,1,7) R15-M1-N08-J29
Task 1560 of 4096 (1,1,0,0,1,8) R15-M1-N08-J29
Task 1561 of 4096 (1,1,0,0,1,9) R15-M1-N08-J29
Task 1562 of 4096 (1,1,0,0,1,10) R15-M1-N08-J29
Task 1563 of 4096 (1,1,0,0,1,11) R15-M1-N08-J29
Task 1564 of 4096 (1,1,0,0,1,12) R15-M1-N08-J29
Task 1565 of 4096 (1,1,0,0,1,13) R15-M1-N08-J29
Task 1566 of 4096 (1,1,0,0,1,14) R15-M1-N08-J29
Task 1567 of 4096 (1,1,0,0,1,15) R15-M1-N08-J29
Task 1568 of 4096 (1,1,0,1,0,0) R15-M1-N08-J22
Task 1569 of 4096 (1,1,0,1,0,1) R15-M1-N08-J22
Task 1570 of 4096 (1,1,0,1,0,2) R15-M1-N08-J22
Task 1571 of 4096 (1,1,0,1,0,3) R15-M1-N08-J22
Task 1572 of 4096 (1,1,0,1,0,4) R15-M1-N08-J22
Task 1573 of 4096 (1,1,0,1,0,5) R15-M1-N08-J22
Task 1574 of 4096 (1,1,0,1,0,6) R15-M1-N08-J22
Task 1575 of 4096 (1,1,0,1,0,7) R15-M1-N08-J22
Task 1576 of 4096 (1,1,0,1,0,8) R15-M1-N08-J22
Task 1577 of 4096 (1,1,0,1,0,9) R15-M1-N08-J22
Task 1578 of 4096 (1,1,0,1,0,10) R15-M1-N08-J22
Task 1579 of 4096 (1,1,0,1,0,11) R15-M1-N08-J22
Task 1580 of 4096 (1,1,0,1,0,12) R15-M1-N08-J22
Task 1581 of 4096 (1,1,0,1,0,13) R15-M1-N08-J22
Task 1582 of 4096 (1,1,0,1,0,14) R15-M1-N08-J22
Task 1583 of 4096 (1,1,0,1,0,15) R15-M1-N08-J22
Task 1584 of 4096 (1,1,0,1,1,0) R15-M1-N08-J17
Task 1585 of 4096 (1,1,0,1,1,1) R15-M1-N08-J17
Task 1586 of 4096 (1,1,0,1,1,2) R15-M1-N08-J17
Task 1587 of 4096 (1,1,0,1,1,3) R15-M1-N08-J17
Task 1588 of 4096 (1,1,0,1,1,4) R15-M1-N08-J17
Task 1589 of 4096 (1,1,0,1,1,5) R15-M1-N08-J17
Task 1590 of 4096 (1,1,0,1,1,6) R15-M1-N08-J17
Task 1591 of 4096 (1,1,0,1,1,7) R15-M1-N08-J17
Task 1592 of 4096 (1,1,0,1,1,8) R15-M1-N08-J17
Task 1593 of 4096 (1,1,0,1,1,9) R15-M1-N08-J17
Task 1594 of 4096 (1,1,0,1,1,10) R15-M1-N08-J17
Task 1595 of 4096 (1,1,0,1,1,11) R15-M1-N08-J17
Task 1596 of 4096 (1,1,0,1,1,12) R15-M1-N08-J17
Task 1597 of 4096 (1,1,0,1,1,13) R15-M1-N08-J17
Task 1598 of 4096 (1,1,0,1,1,14) R15-M1-N08-J17
Task 1599 of 4096 (1,1,0,1,1,15) R15-M1-N08-J17
Task 1600 of 4096 (1,1,0,2,0,0) R15-M1-N10-J22
Task 1601 of 4096 (1,1,0,2,0,1) R15-M1-N10-J22
Task 1602 of 4096 (1,1,0,2,0,2) R15-M1-N10-J22
Task 1603 of 4096 (1,1,0,2,0,3) R15-M1-N10-J22
Task 1604 of 4096 (1,1,0,2,0,4) R15-M1-N10-J22
Task 1605 of 4096 (1,1,0,2,0,5) R15-M1-N10-J22
Task 1606 of 4096 (1,1,0,2,0,6) R15-M1-N10-J22
Task 1607 of 4096 (1,1,0,2,0,7) R15-M1-N10-J22
Task 1608 of 4096 (1,1,0,2,0,8) R15-M1-N10-J22
Task 1609 of 4096 (1,1,0,2,0,9) R15-M1-N10-J22
Task 1610 of 4096 (1,1,0,2,0,10) R15-M1-N10-J22
Task 1611 of 4096 (1,1,0,2,0,11) R15-M1-N10-J22
Task 1612 of 4096 (1,1,0,2,0,12) R15-M1-N10-J22
Task 1613 of 4096 (1,1,0,2,0,13) R15-M1-N10-J22
Task 1614 of 4096 (1,1,0,2,0,14) R15-M1-N10-J22
Task 1615 of 4096 (1,1,0,2,0,15) R15-M1-N10-J22
Task 1616 of 4096 (1,1,0,2,1,0) R15-M1-N10-J17
Task 1617 of 4096 (1,1,0,2,1,1) R15-M1-N10-J17
Task 1618 of 4096 (1,1,0,2,1,2) R15-M1-N10-J17
Task 1619 of 4096 (1,1,0,2,1,3) R15-M1-N10-J17
Task 1620 of 4096 (1,1,0,2,1,4) R15-M1-N10-J17
Task 1621 of 4096 (1,1,0,2,1,5) R15-M1-N10-J17
Task 1622 of 4096 (1,1,0,2,1,6) R15-M1-N10-J17
Task 1623 of 4096 (1,1,0,2,1,7) R15-M1-N10-J17
Task 1624 of 4096 (1,1,0,2,1,8) R15-M1-N10-J17
Task 1625 of 4096 (1,1,0,2,1,9) R15-M1-N10-J17
Task 1626 of 4096 (1,1,0,2,1,10) R15-M1-N10-J17
Task 1627 of 4096 (1,1,0,2,1,11) R15-M1-N10-J17
Task 1628 of 4096 (1,1,0,2,1,12) R15-M1-N10-J17
Task 1629 of 4096 (1,1,0,2,1,13) R15-M1-N10-J17
Task 1630 of 4096 (1,1,0,2,1,14) R15-M1-N10-J17
Task 1631 of 4096 (1,1,0,2,1,15) R15-M1-N10-J17
Task 1632 of 4096 (1,1,0,3,0,0) R15-M1-N10-J26
Task 1633 of 4096 (1,1,0,3,0,1) R15-M1-N10-J26
Task 1634 of 4096 (1,1,0,3,0,2) R15-M1-N10-J26
Task 1635 of 4096 (1,1,0,3,0,3) R15-M1-N10-J26
Task 1636 of 4096 (1,1,0,3,0,4) R15-M1-N10-J26
Task 1637 of 4096 (1,1,0,3,0,5) R15-M1-N10-J26
Task 1638 of 4096 (1,1,0,3,0,6) R15-M1-N10-J26
Task 1639 of 4096 (1,1,0,3,0,7) R15-M1-N10-J26
Task 1640 of 4096 (1,1,0,3,0,8) R15-M1-N10-J26
Task 1641 of 4096 (1,1,0,3,0,9) R15-M1-N10-J26
Task 1642 of 4096 (1,1,0,3,0,10) R15-M1-N10-J26
Task 1643 of 4096 (1,1,0,3,0,11) R15-M1-N10-J26
Task 1644 of 4096 (1,1,0,3,0,12) R15-M1-N10-J26
Task 1645 of 4096 (1,1,0,3,0,13) R15-M1-N10-J26
Task 1646 of 4096 (1,1,0,3,0,14) R15-M1-N10-J26
Task 1647 of 4096 (1,1,0,3,0,15) R15-M1-N10-J26
Task 1648 of 4096 (1,1,0,3,1,0) R15-M1-N10-J29
Task 1649 of 4096 (1,1,0,3,1,1) R15-M1-N10-J29
Task 1650 of 4096 (1,1,0,3,1,2) R15-M1-N10-J29
Task 1651 of 4096 (1,1,0,3,1,3) R15-M1-N10-J29
Task 1652 of 4096 (1,1,0,3,1,4) R15-M1-N10-J29
Task 1653 of 4096 (1,1,0,3,1,5) R15-M1-N10-J29
Task 1654 of 4096 (1,1,0,3,1,6) R15-M1-N10-J29
Task 1655 of 4096 (1,1,0,3,1,7) R15-M1-N10-J29
Task 1656 of 4096 (1,1,0,3,1,8) R15-M1-N10-J29
Task 1657 of 4096 (1,1,0,3,1,9) R15-M1-N10-J29
Task 1658 of 4096 (1,1,0,3,1,10) R15-M1-N10-J29
Task 1659 of 4096 (1,1,0,3,1,11) R15-M1-N10-J29
Task 1660 of 4096 (1,1,0,3,1,12) R15-M1-N10-J29
Task 1661 of 4096 (1,1,0,3,1,13) R15-M1-N10-J29
Task 1662 of 4096 (1,1,0,3,1,14) R15-M1-N10-J29
Task 1663 of 4096 (1,1,0,3,1,15) R15-M1-N10-J29
Task 1664 of 4096 (1,1,1,0,0,0) R15-M1-N08-J27
Task 1665 of 4096 (1,1,1,0,0,1) R15-M1-N08-J27
Task 1666 of 4096 (1,1,1,0,0,2) R15-M1-N08-J27
Task 1667 of 4096 (1,1,1,0,0,3) R15-M1-N08-J27
Task 1668 of 4096 (1,1,1,0,0,4) R15-M1-N08-J27
Task 1669 of 4096 (1,1,1,0,0,5) R15-M1-N08-J27
Task 1670 of 4096 (1,1,1,0,0,6) R15-M1-N08-J27
Task 1671 of 4096 (1,1,1,0,0,7) R15-M1-N08-J27
Task 1672 of 4096 (1,1,1,0,0,8) R15-M1-N08-J27
Task 1673 of 4096 (1,1,1,0,0,9) R15-M1-N08-J27
Task 1674 of 4096 (1,1,1,0,0,10) R15-M1-N08-J27
Task 1675 of 4096 (1,1,1,0,0,11) R15-M1-N08-J27
Task 1676 of 4096 (1,1,1,0,0,12) R15-M1-N08-J27
Task 1677 of 4096 (1,1,1,0,0,13) R15-M1-N08-J27
Task 1678 of 4096 (1,1,1,0,0,14) R15-M1-N08-J27
Task 1679 of 4096 (1,1,1,0,0,15) R15-M1-N08-J27
Task 1680 of 4096 (1,1,1,0,1,0) R15-M1-N08-J28
Task 1681 of 4096 (1,1,1,0,1,1) R15-M1-N08-J28
Task 1682 of 4096 (1,1,1,0,1,2) R15-M1-N08-J28
Task 1683 of 4096 (1,1,1,0,1,3) R15-M1-N08-J28
Task 1684 of 4096 (1,1,1,0,1,4) R15-M1-N08-J28
Task 1685 of 4096 (1,1,1,0,1,5) R15-M1-N08-J28
Task 1686 of 4096 (1,1,1,0,1,6) R15-M1-N08-J28
Task 1687 of 4096 (1,1,1,0,1,7) R15-M1-N08-J28
Task 1688 of 4096 (1,1,1,0,1,8) R15-M1-N08-J28
Task 1689 of 4096 (1,1,1,0,1,9) R15-M1-N08-J28
Task 1690 of 4096 (1,1,1,0,1,10) R15-M1-N08-J28
Task 1691 of 4096 (1,1,1,0,1,11) R15-M1-N08-J28
Task 1692 of 4096 (1,1,1,0,1,12) R15-M1-N08-J28
Task 1693 of 4096 (1,1,1,0,1,13) R15-M1-N08-J28
Task 1694 of 4096 (1,1,1,0,1,14) R15-M1-N08-J28
Task 1695 of 4096 (1,1,1,0,1,15) R15-M1-N08-J28
Task 1696 of 4096 (1,1,1,1,0,0) R15-M1-N08-J23
Task 1697 of 4096 (1,1,1,1,0,1) R15-M1-N08-J23
Task 1698 of 4096 (1,1,1,1,0,2) R15-M1-N08-J23
Task 1699 of 4096 (1,1,1,1,0,3) R15-M1-N08-J23
Task 1700 of 4096 (1,1,1,1,0,4) R15-M1-N08-J23
Task 1701 of 4096 (1,1,1,1,0,5) R15-M1-N08-J23
Task 1702 of 4096 (1,1,1,1,0,6) R15-M1-N08-J23
Task 1703 of 4096 (1,1,1,1,0,7) R15-M1-N08-J23
Task 1704 of 4096 (1,1,1,1,0,8) R15-M1-N08-J23
Task 1705 of 4096 (1,1,1,1,0,9) R15-M1-N08-J23
Task 1706 of 4096 (1,1,1,1,0,10) R15-M1-N08-J23
Task 1707 of 4096 (1,1,1,1,0,11) R15-M1-N08-J23
Task 1708 of 4096 (1,1,1,1,0,12) R15-M1-N08-J23
Task 1709 of 4096 (1,1,1,1,0,13) R15-M1-N08-J23
Task 1710 of 4096 (1,1,1,1,0,14) R15-M1-N08-J23
Task 1711 of 4096 (1,1,1,1,0,15) R15-M1-N08-J23
Task 1712 of 4096 (1,1,1,1,1,0) R15-M1-N08-J16
Task 1713 of 4096 (1,1,1,1,1,1) R15-M1-N08-J16
Task 1714 of 4096 (1,1,1,1,1,2) R15-M1-N08-J16
Task 1715 of 4096 (1,1,1,1,1,3) R15-M1-N08-J16
Task 1716 of 4096 (1,1,1,1,1,4) R15-M1-N08-J16
Task 1717 of 4096 (1,1,1,1,1,5) R15-M1-N08-J16
Task 1718 of 4096 (1,1,1,1,1,6) R15-M1-N08-J16
Task 1719 of 4096 (1,1,1,1,1,7) R15-M1-N08-J16
Task 1720 of 4096 (1,1,1,1,1,8) R15-M1-N08-J16
Task 1721 of 4096 (1,1,1,1,1,9) R15-M1-N08-J16
Task 1722 of 4096 (1,1,1,1,1,10) R15-M1-N08-J16
Task 1723 of 4096 (1,1,1,1,1,11) R15-M1-N08-J16
Task 1724 of 4096 (1,1,1,1,1,12) R15-M1-N08-J16
Task 1725 of 4096 (1,1,1,1,1,13) R15-M1-N08-J16
Task 1726 of 4096 (1,1,1,1,1,14) R15-M1-N08-J16
Task 1727 of 4096 (1,1,1,1,1,15) R15-M1-N08-J16
Task 1728 of 4096 (1,1,1,2,0,0) R15-M1-N10-J23
Task 1729 of 4096 (1,1,1,2,0,1) R15-M1-N10-J23
Task 1730 of 4096 (1,1,1,2,0,2) R15-M1-N10-J23
Task 1731 of 4096 (1,1,1,2,0,3) R15-M1-N10-J23
Task 1732 of 4096 (1,1,1,2,0,4) R15-M1-N10-J23
Task 1733 of 4096 (1,1,1,2,0,5) R15-M1-N10-J23
Task 1734 of 4096 (1,1,1,2,0,6) R15-M1-N10-J23
Task 1735 of 4096 (1,1,1,2,0,7) R15-M1-N10-J23
Task 1736 of 4096 (1,1,1,2,0,8) R15-M1-N10-J23
Task 1737 of 4096 (1,1,1,2,0,9) R15-M1-N10-J23
Task 1738 of 4096 (1,1,1,2,0,10) R15-M1-N10-J23
Task 1739 of 4096 (1,1,1,2,0,11) R15-M1-N10-J23
Task 1740 of 4096 (1,1,1,2,0,12) R15-M1-N10-J23
Task 1741 of 4096 (1,1,1,2,0,13) R15-M1-N10-J23
Task 1742 of 4096 (1,1,1,2,0,14) R15-M1-N10-J23
Task 1743 of 4096 (1,1,1,2,0,15) R15-M1-N10-J23
Task 1744 of 4096 (1,1,1,2,1,0) R15-M1-N10-J16
Task 1745 of 4096 (1,1,1,2,1,1) R15-M1-N10-J16
Task 1746 of 4096 (1,1,1,2,1,2) R15-M1-N10-J16
Task 1747 of 4096 (1,1,1,2,1,3) R15-M1-N10-J16
Task 1748 of 4096 (1,1,1,2,1,4) R15-M1-N10-J16
Task 1749 of 4096 (1,1,1,2,1,5) R15-M1-N10-J16
Task 1750 of 4096 (1,1,1,2,1,6) R15-M1-N10-J16
Task 1751 of 4096 (1,1,1,2,1,7) R15-M1-N10-J16
Task 1752 of 4096 (1,1,1,2,1,8) R15-M1-N10-J16
Task 1753 of 4096 (1,1,1,2,1,9) R15-M1-N10-J16
Task 1754 of 4096 (1,1,1,2,1,10) R15-M1-N10-J16
Task 1755 of 4096 (1,1,1,2,1,11) R15-M1-N10-J16
Task 1756 of 4096 (1,1,1,2,1,12) R15-M1-N10-J16
Task 1757 of 4096 (1,1,1,2,1,13) R15-M1-N10-J16
Task 1758 of 4096 (1,1,1,2,1,14) R15-M1-N10-J16
Task 1759 of 4096 (1,1,1,2,1,15) R15-M1-N10-J16
Task 1760 of 4096 (1,1,1,3,0,0) R15-M1-N10-J27
Task 1761 of 4096 (1,1,1,3,0,1) R15-M1-N10-J27
Task 1762 of 4096 (1,1,1,3,0,2) R15-M1-N10-J27
Task 1763 of 4096 (1,1,1,3,0,3) R15-M1-N10-J27
Task 1764 of 4096 (1,1,1,3,0,4) R15-M1-N10-J27
Task 1765 of 4096 (1,1,1,3,0,5) R15-M1-N10-J27
Task 1766 of 4096 (1,1,1,3,0,6) R15-M1-N10-J27
Task 1767 of 4096 (1,1,1,3,0,7) R15-M1-N10-J27
Task 1768 of 4096 (1,1,1,3,0,8) R15-M1-N10-J27
Task 1769 of 4096 (1,1,1,3,0,9) R15-M1-N10-J27
Task 1770 of 4096 (1,1,1,3,0,10) R15-M1-N10-J27
Task 1771 of 4096 (1,1,1,3,0,11) R15-M1-N10-J27
Task 1772 of 4096 (1,1,1,3,0,12) R15-M1-N10-J27
Task 1773 of 4096 (1,1,1,3,0,13) R15-M1-N10-J27
Task 1774 of 4096 (1,1,1,3,0,14) R15-M1-N10-J27
Task 1775 of 4096 (1,1,1,3,0,15) R15-M1-N10-J27
Task 1776 of 4096 (1,1,1,3,1,0) R15-M1-N10-J28
Task 1777 of 4096 (1,1,1,3,1,1) R15-M1-N10-J28
Task 1778 of 4096 (1,1,1,3,1,2) R15-M1-N10-J28
Task 1779 of 4096 (1,1,1,3,1,3) R15-M1-N10-J28
Task 1780 of 4096 (1,1,1,3,1,4) R15-M1-N10-J28
Task 1781 of 4096 (1,1,1,3,1,5) R15-M1-N10-J28
Task 1782 of 4096 (1,1,1,3,1,6) R15-M1-N10-J28
Task 1783 of 4096 (1,1,1,3,1,7) R15-M1-N10-J28
Task 1784 of 4096 (1,1,1,3,1,8) R15-M1-N10-J28
Task 1785 of 4096 (1,1,1,3,1,9) R15-M1-N10-J28
Task 1786 of 4096 (1,1,1,3,1,10) R15-M1-N10-J28
Task 1787 of 4096 (1,1,1,3,1,11) R15-M1-N10-J28
Task 1788 of 4096 (1,1,1,3,1,12) R15-M1-N10-J28
Task 1789 of 4096 (1,1,1,3,1,13) R15-M1-N10-J28
Task 1790 of 4096 (1,1,1,3,1,14) R15-M1-N10-J28
Task 1791 of 4096 (1,1,1,3,1,15) R15-M1-N10-J28
Task 1792 of 4096 (1,1,2,0,0,0) R15-M1-N09-J27
Task 1793 of 4096 (1,1,2,0,0,1) R15-M1-N09-J27
Task 1794 of 4096 (1,1,2,0,0,2) R15-M1-N09-J27
Task 1795 of 4096 (1,1,2,0,0,3) R15-M1-N09-J27
Task 1796 of 4096 (1,1,2,0,0,4) R15-M1-N09-J27
Task 1797 of 4096 (1,1,2,0,0,5) R15-M1-N09-J27
Task 1798 of 4096 (1,1,2,0,0,6) R15-M1-N09-J27
Task 1799 of 4096 (1,1,2,0,0,7) R15-M1-N09-J27
Task 1800 of 4096 (1,1,2,0,0,8) R15-M1-N09-J27
Task 1801 of 4096 (1,1,2,0,0,9) R15-M1-N09-J27
Task 1802 of 4096 (1,1,2,0,0,10) R15-M1-N09-J27
Task 1803 of 4096 (1,1,2,0,0,11) R15-M1-N09-J27
Task 1804 of 4096 (1,1,2,0,0,12) R15-M1-N09-J27
Task 1805 of 4096 (1,1,2,0,0,13) R15-M1-N09-J27
Task 1806 of 4096 (1,1,2,0,0,14) R15-M1-N09-J27
Task 1807 of 4096 (1,1,2,0,0,15) R15-M1-N09-J27
Task 1808 of 4096 (1,1,2,0,1,0) R15-M1-N09-J28
Task 1809 of 4096 (1,1,2,0,1,1) R15-M1-N09-J28
Task 1810 of 4096 (1,1,2,0,1,2) R15-M1-N09-J28
Task 1811 of 4096 (1,1,2,0,1,3) R15-M1-N09-J28
Task 1812 of 4096 (1,1,2,0,1,4) R15-M1-N09-J28
Task 1813 of 4096 (1,1,2,0,1,5) R15-M1-N09-J28
Task 1814 of 4096 (1,1,2,0,1,6) R15-M1-N09-J28
Task 1815 of 4096 (1,1,2,0,1,7) R15-M1-N09-J28
Task 1816 of 4096 (1,1,2,0,1,8) R15-M1-N09-J28
Task 1817 of 4096 (1,1,2,0,1,9) R15-M1-N09-J28
Task 1818 of 4096 (1,1,2,0,1,10) R15-M1-N09-J28
Task 1819 of 4096 (1,1,2,0,1,11) R15-M1-N09-J28
Task 1820 of 4096 (1,1,2,0,1,12) R15-M1-N09-J28
Task 1821 of 4096 (1,1,2,0,1,13) R15-M1-N09-J28
Task 1822 of 4096 (1,1,2,0,1,14) R15-M1-N09-J28
Task 1823 of 4096 (1,1,2,0,1,15) R15-M1-N09-J28
Task 1824 of 4096 (1,1,2,1,0,0) R15-M1-N09-J23
Task 1825 of 4096 (1,1,2,1,0,1) R15-M1-N09-J23
Task 1826 of 4096 (1,1,2,1,0,2) R15-M1-N09-J23
Task 1827 of 4096 (1,1,2,1,0,3) R15-M1-N09-J23
Task 1828 of 4096 (1,1,2,1,0,4) R15-M1-N09-J23
Task 1829 of 4096 (1,1,2,1,0,5) R15-M1-N09-J23
Task 1830 of 4096 (1,1,2,1,0,6) R15-M1-N09-J23
Task 1831 of 4096 (1,1,2,1,0,7) R15-M1-N09-J23
Task 1832 of 4096 (1,1,2,1,0,8) R15-M1-N09-J23
Task 1833 of 4096 (1,1,2,1,0,9) R15-M1-N09-J23
Task 1834 of 4096 (1,1,2,1,0,10) R15-M1-N09-J23
Task 1835 of 4096 (1,1,2,1,0,11) R15-M1-N09-J23
Task 1836 of 4096 (1,1,2,1,0,12) R15-M1-N09-J23
Task 1837 of 4096 (1,1,2,1,0,13) R15-M1-N09-J23
Task 1838 of 4096 (1,1,2,1,0,14) R15-M1-N09-J23
Task 1839 of 4096 (1,1,2,1,0,15) R15-M1-N09-J23
Task 1840 of 4096 (1,1,2,1,1,0) R15-M1-N09-J16
Task 1841 of 4096 (1,1,2,1,1,1) R15-M1-N09-J16
Task 1842 of 4096 (1,1,2,1,1,2) R15-M1-N09-J16
Task 1843 of 4096 (1,1,2,1,1,3) R15-M1-N09-J16
Task 1844 of 4096 (1,1,2,1,1,4) R15-M1-N09-J16
Task 1845 of 4096 (1,1,2,1,1,5) R15-M1-N09-J16
Task 1846 of 4096 (1,1,2,1,1,6) R15-M1-N09-J16
Task 1847 of 4096 (1,1,2,1,1,7) R15-M1-N09-J16
Task 1848 of 4096 (1,1,2,1,1,8) R15-M1-N09-J16
Task 1849 of 4096 (1,1,2,1,1,9) R15-M1-N09-J16
Task 1850 of 4096 (1,1,2,1,1,10) R15-M1-N09-J16
Task 1851 of 4096 (1,1,2,1,1,11) R15-M1-N09-J16
Task 1852 of 4096 (1,1,2,1,1,12) R15-M1-N09-J16
Task 1853 of 4096 (1,1,2,1,1,13) R15-M1-N09-J16
Task 1854 of 4096 (1,1,2,1,1,14) R15-M1-N09-J16
Task 1855 of 4096 (1,1,2,1,1,15) R15-M1-N09-J16
Task 1856 of 4096 (1,1,2,2,0,0) R15-M1-N11-J23
Task 1857 of 4096 (1,1,2,2,0,1) R15-M1-N11-J23
Task 1858 of 4096 (1,1,2,2,0,2) R15-M1-N11-J23
Task 1859 of 4096 (1,1,2,2,0,3) R15-M1-N11-J23
Task 1860 of 4096 (1,1,2,2,0,4) R15-M1-N11-J23
Task 1861 of 4096 (1,1,2,2,0,5) R15-M1-N11-J23
Task 1862 of 4096 (1,1,2,2,0,6) R15-M1-N11-J23
Task 1863 of 4096 (1,1,2,2,0,7) R15-M1-N11-J23
Task 1864 of 4096 (1,1,2,2,0,8) R15-M1-N11-J23
Task 1865 of 4096 (1,1,2,2,0,9) R15-M1-N11-J23
Task 1866 of 4096 (1,1,2,2,0,10) R15-M1-N11-J23
Task 1867 of 4096 (1,1,2,2,0,11) R15-M1-N11-J23
Task 1868 of 4096 (1,1,2,2,0,12) R15-M1-N11-J23
Task 1869 of 4096 (1,1,2,2,0,13) R15-M1-N11-J23
Task 1870 of 4096 (1,1,2,2,0,14) R15-M1-N11-J23
Task 1871 of 4096 (1,1,2,2,0,15) R15-M1-N11-J23
Task 1872 of 4096 (1,1,2,2,1,0) R15-M1-N11-J16
Task 1873 of 4096 (1,1,2,2,1,1) R15-M1-N11-J16
Task 1874 of 4096 (1,1,2,2,1,2) R15-M1-N11-J16
Task 1875 of 4096 (1,1,2,2,1,3) R15-M1-N11-J16
Task 1876 of 4096 (1,1,2,2,1,4) R15-M1-N11-J16
Task 1877 of 4096 (1,1,2,2,1,5) R15-M1-N11-J16
Task 1878 of 4096 (1,1,2,2,1,6) R15-M1-N11-J16
Task 1879 of 4096 (1,1,2,2,1,7) R15-M1-N11-J16
Task 1880 of 4096 (1,1,2,2,1,8) R15-M1-N11-J16
Task 1881 of 4096 (1,1,2,2,1,9) R15-M1-N11-J16
Task 1882 of 4096 (1,1,2,2,1,10) R15-M1-N11-J16
Task 1883 of 4096 (1,1,2,2,1,11) R15-M1-N11-J16
Task 1884 of 4096 (1,1,2,2,1,12) R15-M1-N11-J16
Task 1885 of 4096 (1,1,2,2,1,13) R15-M1-N11-J16
Task 1886 of 4096 (1,1,2,2,1,14) R15-M1-N11-J16
Task 1887 of 4096 (1,1,2,2,1,15) R15-M1-N11-J16
Task 1888 of 4096 (1,1,2,3,0,0) R15-M1-N11-J27
Task 1889 of 4096 (1,1,2,3,0,1) R15-M1-N11-J27
Task 1890 of 4096 (1,1,2,3,0,2) R15-M1-N11-J27
Task 1891 of 4096 (1,1,2,3,0,3) R15-M1-N11-J27
Task 1892 of 4096 (1,1,2,3,0,4) R15-M1-N11-J27
Task 1893 of 4096 (1,1,2,3,0,5) R15-M1-N11-J27
Task 1894 of 4096 (1,1,2,3,0,6) R15-M1-N11-J27
Task 1895 of 4096 (1,1,2,3,0,7) R15-M1-N11-J27
Task 1896 of 4096 (1,1,2,3,0,8) R15-M1-N11-J27
Task 1897 of 4096 (1,1,2,3,0,9) R15-M1-N11-J27
Task 1898 of 4096 (1,1,2,3,0,10) R15-M1-N11-J27
Task 1899 of 4096 (1,1,2,3,0,11) R15-M1-N11-J27
Task 1900 of 4096 (1,1,2,3,0,12) R15-M1-N11-J27
Task 1901 of 4096 (1,1,2,3,0,13) R15-M1-N11-J27
Task 1902 of 4096 (1,1,2,3,0,14) R15-M1-N11-J27
Task 1903 of 4096 (1,1,2,3,0,15) R15-M1-N11-J27
Task 1904 of 4096 (1,1,2,3,1,0) R15-M1-N11-J28
Task 1905 of 4096 (1,1,2,3,1,1) R15-M1-N11-J28
Task 1906 of 4096 (1,1,2,3,1,2) R15-M1-N11-J28
Task 1907 of 4096 (1,1,2,3,1,3) R15-M1-N11-J28
Task 1908 of 4096 (1,1,2,3,1,4) R15-M1-N11-J28
Task 1909 of 4096 (1,1,2,3,1,5) R15-M1-N11-J28
Task 1910 of 4096 (1,1,2,3,1,6) R15-M1-N11-J28
Task 1911 of 4096 (1,1,2,3,1,7) R15-M1-N11-J28
Task 1912 of 4096 (1,1,2,3,1,8) R15-M1-N11-J28
Task 1913 of 4096 (1,1,2,3,1,9) R15-M1-N11-J28
Task 1914 of 4096 (1,1,2,3,1,10) R15-M1-N11-J28
Task 1915 of 4096 (1,1,2,3,1,11) R15-M1-N11-J28
Task 1916 of 4096 (1,1,2,3,1,12) R15-M1-N11-J28
Task 1917 of 4096 (1,1,2,3,1,13) R15-M1-N11-J28
Task 1918 of 4096 (1,1,2,3,1,14) R15-M1-N11-J28
Task 1919 of 4096 (1,1,2,3,1,15) R15-M1-N11-J28
Task 1920 of 4096 (1,1,3,0,0,0) R15-M1-N09-J26
Task 1921 of 4096 (1,1,3,0,0,1) R15-M1-N09-J26
Task 1922 of 4096 (1,1,3,0,0,2) R15-M1-N09-J26
Task 1923 of 4096 (1,1,3,0,0,3) R15-M1-N09-J26
Task 1924 of 4096 (1,1,3,0,0,4) R15-M1-N09-J26
Task 1925 of 4096 (1,1,3,0,0,5) R15-M1-N09-J26
Task 1926 of 4096 (1,1,3,0,0,6) R15-M1-N09-J26
Task 1927 of 4096 (1,1,3,0,0,7) R15-M1-N09-J26
Task 1928 of 4096 (1,1,3,0,0,8) R15-M1-N09-J26
Task 1929 of 4096 (1,1,3,0,0,9) R15-M1-N09-J26
Task 1930 of 4096 (1,1,3,0,0,10) R15-M1-N09-J26
Task 1931 of 4096 (1,1,3,0,0,11) R15-M1-N09-J26
Task 1932 of 4096 (1,1,3,0,0,12) R15-M1-N09-J26
Task 1933 of 4096 (1,1,3,0,0,13) R15-M1-N09-J26
Task 1934 of 4096 (1,1,3,0,0,14) R15-M1-N09-J26
Task 1935 of 4096 (1,1,3,0,0,15) R15-M1-N09-J26
Task 1936 of 4096 (1,1,3,0,1,0) R15-M1-N09-J29
Task 1937 of 4096 (1,1,3,0,1,1) R15-M1-N09-J29
Task 1938 of 4096 (1,1,3,0,1,2) R15-M1-N09-J29
Task 1939 of 4096 (1,1,3,0,1,3) R15-M1-N09-J29
Task 1940 of 4096 (1,1,3,0,1,4) R15-M1-N09-J29
Task 1941 of 4096 (1,1,3,0,1,5) R15-M1-N09-J29
Task 1942 of 4096 (1,1,3,0,1,6) R15-M1-N09-J29
Task 1943 of 4096 (1,1,3,0,1,7) R15-M1-N09-J29
Task 1944 of 4096 (1,1,3,0,1,8) R15-M1-N09-J29
Task 1945 of 4096 (1,1,3,0,1,9) R15-M1-N09-J29
Task 1946 of 4096 (1,1,3,0,1,10) R15-M1-N09-J29
Task 1947 of 4096 (1,1,3,0,1,11) R15-M1-N09-J29
Task 1948 of 4096 (1,1,3,0,1,12) R15-M1-N09-J29
Task 1949 of 4096 (1,1,3,0,1,13) R15-M1-N09-J29
Task 1950 of 4096 (1,1,3,0,1,14) R15-M1-N09-J29
Task 1951 of 4096 (1,1,3,0,1,15) R15-M1-N09-J29
Task 1952 of 4096 (1,1,3,1,0,0) R15-M1-N09-J22
Task 1953 of 4096 (1,1,3,1,0,1) R15-M1-N09-J22
Task 1954 of 4096 (1,1,3,1,0,2) R15-M1-N09-J22
Task 1955 of 4096 (1,1,3,1,0,3) R15-M1-N09-J22
Task 1956 of 4096 (1,1,3,1,0,4) R15-M1-N09-J22
Task 1957 of 4096 (1,1,3,1,0,5) R15-M1-N09-J22
Task 1958 of 4096 (1,1,3,1,0,6) R15-M1-N09-J22
Task 1959 of 4096 (1,1,3,1,0,7) R15-M1-N09-J22
Task 1960 of 4096 (1,1,3,1,0,8) R15-M1-N09-J22
Task 1961 of 4096 (1,1,3,1,0,9) R15-M1-N09-J22
Task 1962 of 4096 (1,1,3,1,0,10) R15-M1-N09-J22
Task 1963 of 4096 (1,1,3,1,0,11) R15-M1-N09-J22
Task 1964 of 4096 (1,1,3,1,0,12) R15-M1-N09-J22
Task 1965 of 4096 (1,1,3,1,0,13) R15-M1-N09-J22
Task 1966 of 4096 (1,1,3,1,0,14) R15-M1-N09-J22
Task 1967 of 4096 (1,1,3,1,0,15) R15-M1-N09-J22
Task 1968 of 4096 (1,1,3,1,1,0) R15-M1-N09-J17
Task 1969 of 4096 (1,1,3,1,1,1) R15-M1-N09-J17
Task 1970 of 4096 (1,1,3,1,1,2) R15-M1-N09-J17
Task 1971 of 4096 (1,1,3,1,1,3) R15-M1-N09-J17
Task 1972 of 4096 (1,1,3,1,1,4) R15-M1-N09-J17
Task 1973 of 4096 (1,1,3,1,1,5) R15-M1-N09-J17
Task 1974 of 4096 (1,1,3,1,1,6) R15-M1-N09-J17
Task 1975 of 4096 (1,1,3,1,1,7) R15-M1-N09-J17
Task 1976 of 4096 (1,1,3,1,1,8) R15-M1-N09-J17
Task 1977 of 4096 (1,1,3,1,1,9) R15-M1-N09-J17
Task 1978 of 4096 (1,1,3,1,1,10) R15-M1-N09-J17
Task 1979 of 4096 (1,1,3,1,1,11) R15-M1-N09-J17
Task 1980 of 4096 (1,1,3,1,1,12) R15-M1-N09-J17
Task 1981 of 4096 (1,1,3,1,1,13) R15-M1-N09-J17
Task 1982 of 4096 (1,1,3,1,1,14) R15-M1-N09-J17
Task 1983 of 4096 (1,1,3,1,1,15) R15-M1-N09-J17
Task 1984 of 4096 (1,1,3,2,0,0) R15-M1-N11-J22
Task 1985 of 4096 (1,1,3,2,0,1) R15-M1-N11-J22
Task 1986 of 4096 (1,1,3,2,0,2) R15-M1-N11-J22
Task 1987 of 4096 (1,1,3,2,0,3) R15-M1-N11-J22
Task 1988 of 4096 (1,1,3,2,0,4) R15-M1-N11-J22
Task 1989 of 4096 (1,1,3,2,0,5) R15-M1-N11-J22
Task 1990 of 4096 (1,1,3,2,0,6) R15-M1-N11-J22
Task 1991 of 4096 (1,1,3,2,0,7) R15-M1-N11-J22
Task 1992 of 4096 (1,1,3,2,0,8) R15-M1-N11-J22
Task 1993 of 4096 (1,1,3,2,0,9) R15-M1-N11-J22
Task 1994 of 4096 (1,1,3,2,0,10) R15-M1-N11-J22
Task 1995 of 4096 (1,1,3,2,0,11) R15-M1-N11-J22
Task 1996 of 4096 (1,1,3,2,0,12) R15-M1-N11-J22
Task 1997 of 4096 (1,1,3,2,0,13) R15-M1-N11-J22
Task 1998 of 4096 (1,1,3,2,0,14) R15-M1-N11-J22
Task 1999 of 4096 (1,1,3,2,0,15) R15-M1-N11-J22
Task 2000 of 4096 (1,1,3,2,1,0) R15-M1-N11-J17
Task 2001 of 4096 (1,1,3,2,1,1) R15-M1-N11-J17
Task 2002 of 4096 (1,1,3,2,1,2) R15-M1-N11-J17
Task 2003 of 4096 (1,1,3,2,1,3) R15-M1-N11-J17
Task 2004 of 4096 (1,1,3,2,1,4) R15-M1-N11-J17
Task 2005 of 4096 (1,1,3,2,1,5) R15-M1-N11-J17
Task 2006 of 4096 (1,1,3,2,1,6) R15-M1-N11-J17
Task 2007 of 4096 (1,1,3,2,1,7) R15-M1-N11-J17
Task 2008 of 4096 (1,1,3,2,1,8) R15-M1-N11-J17
Task 2009 of 4096 (1,1,3,2,1,9) R15-M1-N11-J17
Task 2010 of 4096 (1,1,3,2,1,10) R15-M1-N11-J17
Task 2011 of 4096 (1,1,3,2,1,11) R15-M1-N11-J17
Task 2012 of 4096 (1,1,3,2,1,12) R15-M1-N11-J17
Task 2013 of 4096 (1,1,3,2,1,13) R15-M1-N11-J17
Task 2014 of 4096 (1,1,3,2,1,14) R15-M1-N11-J17
Task 2015 of 4096 (1,1,3,2,1,15) R15-M1-N11-J17
Task 2016 of 4096 (1,1,3,3,0,0) R15-M1-N11-J26
Task 2017 of 4096 (1,1,3,3,0,1) R15-M1-N11-J26
Task 2018 of 4096 (1,1,3,3,0,2) R15-M1-N11-J26
Task 2019 of 4096 (1,1,3,3,0,3) R15-M1-N11-J26
Task 2020 of 4096 (1,1,3,3,0,4) R15-M1-N11-J26
Task 2021 of 4096 (1,1,3,3,0,5) R15-M1-N11-J26
Task 2022 of 4096 (1,1,3,3,0,6) R15-M1-N11-J26
Task 2023 of 4096 (1,1,3,3,0,7) R15-M1-N11-J26
Task 2024 of 4096 (1,1,3,3,0,8) R15-M1-N11-J26
Task 2025 of 4096 (1,1,3,3,0,9) R15-M1-N11-J26
Task 2026 of 4096 (1,1,3,3,0,10) R15-M1-N11-J26
Task 2027 of 4096 (1,1,3,3,0,11) R15-M1-N11-J26
Task 2028 of 4096 (1,1,3,3,0,12) R15-M1-N11-J26
Task 2029 of 4096 (1,1,3,3,0,13) R15-M1-N11-J26
Task 2030 of 4096 (1,1,3,3,0,14) R15-M1-N11-J26
Task 2031 of 4096 (1,1,3,3,0,15) R15-M1-N11-J26
Task 2032 of 4096 (1,1,3,3,1,0) R15-M1-N11-J29
Task 2033 of 4096 (1,1,3,3,1,1) R15-M1-N11-J29
Task 2034 of 4096 (1,1,3,3,1,2) R15-M1-N11-J29
Task 2035 of 4096 (1,1,3,3,1,3) R15-M1-N11-J29
Task 2036 of 4096 (1,1,3,3,1,4) R15-M1-N11-J29
Task 2037 of 4096 (1,1,3,3,1,5) R15-M1-N11-J29
Task 2038 of 4096 (1,1,3,3,1,6) R15-M1-N11-J29
Task 2039 of 4096 (1,1,3,3,1,7) R15-M1-N11-J29
Task 2040 of 4096 (1,1,3,3,1,8) R15-M1-N11-J29
Task 2041 of 4096 (1,1,3,3,1,9) R15-M1-N11-J29
Task 2042 of 4096 (1,1,3,3,1,10) R15-M1-N11-J29
Task 2043 of 4096 (1,1,3,3,1,11) R15-M1-N11-J29
Task 2044 of 4096 (1,1,3,3,1,12) R15-M1-N11-J29
Task 2045 of 4096 (1,1,3,3,1,13) R15-M1-N11-J29
Task 2046 of 4096 (1,1,3,3,1,14) R15-M1-N11-J29
Task 2047 of 4096 (1,1,3,3,1,15) R15-M1-N11-J29
Task 2048 of 4096 (2,0,0,0,0,0) R15-M1-N12-J25
Task 2049 of 4096 (2,0,0,0,0,1) R15-M1-N12-J25
Task 2050 of 4096 (2,0,0,0,0,2) R15-M1-N12-J25
Task 2051 of 4096 (2,0,0,0,0,3) R15-M1-N12-J25
Task 2052 of 4096 (2,0,0,0,0,4) R15-M1-N12-J25
Task 2053 of 4096 (2,0,0,0,0,5) R15-M1-N12-J25
Task 2054 of 4096 (2,0,0,0,0,6) R15-M1-N12-J25
Task 2055 of 4096 (2,0,0,0,0,7) R15-M1-N12-J25
Task 2056 of 4096 (2,0,0,0,0,8) R15-M1-N12-J25
Task 2057 of 4096 (2,0,0,0,0,9) R15-M1-N12-J25
Task 2058 of 4096 (2,0,0,0,0,10) R15-M1-N12-J25
Task 2059 of 4096 (2,0,0,0,0,11) R15-M1-N12-J25
Task 2060 of 4096 (2,0,0,0,0,12) R15-M1-N12-J25
Task 2061 of 4096 (2,0,0,0,0,13) R15-M1-N12-J25
Task 2062 of 4096 (2,0,0,0,0,14) R15-M1-N12-J25
Task 2063 of 4096 (2,0,0,0,0,15) R15-M1-N12-J25
Task 2064 of 4096 (2,0,0,0,1,0) R15-M1-N12-J30
Task 2065 of 4096 (2,0,0,0,1,1) R15-M1-N12-J30
Task 2066 of 4096 (2,0,0,0,1,2) R15-M1-N12-J30
Task 2067 of 4096 (2,0,0,0,1,3) R15-M1-N12-J30
Task 2068 of 4096 (2,0,0,0,1,4) R15-M1-N12-J30
Task 2069 of 4096 (2,0,0,0,1,5) R15-M1-N12-J30
Task 2070 of 4096 (2,0,0,0,1,6) R15-M1-N12-J30
Task 2071 of 4096 (2,0,0,0,1,7) R15-M1-N12-J30
Task 2072 of 4096 (2,0,0,0,1,8) R15-M1-N12-J30
Task 2073 of 4096 (2,0,0,0,1,9) R15-M1-N12-J30
Task 2074 of 4096 (2,0,0,0,1,10) R15-M1-N12-J30
Task 2075 of 4096 (2,0,0,0,1,11) R15-M1-N12-J30
Task 2076 of 4096 (2,0,0,0,1,12) R15-M1-N12-J30
Task 2077 of 4096 (2,0,0,0,1,13) R15-M1-N12-J30
Task 2078 of 4096 (2,0,0,0,1,14) R15-M1-N12-J30
Task 2079 of 4096 (2,0,0,0,1,15) R15-M1-N12-J30
Task 2080 of 4096 (2,0,0,1,0,0) R15-M1-N12-J21
Task 2081 of 4096 (2,0,0,1,0,1) R15-M1-N12-J21
Task 2082 of 4096 (2,0,0,1,0,2) R15-M1-N12-J21
Task 2083 of 4096 (2,0,0,1,0,3) R15-M1-N12-J21
Task 2084 of 4096 (2,0,0,1,0,4) R15-M1-N12-J21
Task 2085 of 4096 (2,0,0,1,0,5) R15-M1-N12-J21
Task 2086 of 4096 (2,0,0,1,0,6) R15-M1-N12-J21
Task 2087 of 4096 (2,0,0,1,0,7) R15-M1-N12-J21
Task 2088 of 4096 (2,0,0,1,0,8) R15-M1-N12-J21
Task 2089 of 4096 (2,0,0,1,0,9) R15-M1-N12-J21
Task 2090 of 4096 (2,0,0,1,0,10) R15-M1-N12-J21
Task 2091 of 4096 (2,0,0,1,0,11) R15-M1-N12-J21
Task 2092 of 4096 (2,0,0,1,0,12) R15-M1-N12-J21
Task 2093 of 4096 (2,0,0,1,0,13) R15-M1-N12-J21
Task 2094 of 4096 (2,0,0,1,0,14) R15-M1-N12-J21
Task 2095 of 4096 (2,0,0,1,0,15) R15-M1-N12-J21
Task 2096 of 4096 (2,0,0,1,1,0) R15-M1-N12-J18
Task 2097 of 4096 (2,0,0,1,1,1) R15-M1-N12-J18
Task 2098 of 4096 (2,0,0,1,1,2) R15-M1-N12-J18
Task 2099 of 4096 (2,0,0,1,1,3) R15-M1-N12-J18
Task 2100 of 4096 (2,0,0,1,1,4) R15-M1-N12-J18
Task 2101 of 4096 (2,0,0,1,1,5) R15-M1-N12-J18
Task 2102 of 4096 (2,0,0,1,1,6) R15-M1-N12-J18
Task 2103 of 4096 (2,0,0,1,1,7) R15-M1-N12-J18
Task 2104 of 4096 (2,0,0,1,1,8) R15-M1-N12-J18
Task 2105 of 4096 (2,0,0,1,1,9) R15-M1-N12-J18
Task 2106 of 4096 (2,0,0,1,1,10) R15-M1-N12-J18
Task 2107 of 4096 (2,0,0,1,1,11) R15-M1-N12-J18
Task 2108 of 4096 (2,0,0,1,1,12) R15-M1-N12-J18
Task 2109 of 4096 (2,0,0,1,1,13) R15-M1-N12-J18
Task 2110 of 4096 (2,0,0,1,1,14) R15-M1-N12-J18
Task 2111 of 4096 (2,0,0,1,1,15) R15-M1-N12-J18
Task 2112 of 4096 (2,0,0,2,0,0) R15-M1-N14-J21
Task 2113 of 4096 (2,0,0,2,0,1) R15-M1-N14-J21
Task 2114 of 4096 (2,0,0,2,0,2) R15-M1-N14-J21
Task 2115 of 4096 (2,0,0,2,0,3) R15-M1-N14-J21
Task 2116 of 4096 (2,0,0,2,0,4) R15-M1-N14-J21
Task 2117 of 4096 (2,0,0,2,0,5) R15-M1-N14-J21
Task 2118 of 4096 (2,0,0,2,0,6) R15-M1-N14-J21
Task 2119 of 4096 (2,0,0,2,0,7) R15-M1-N14-J21
Task 2120 of 4096 (2,0,0,2,0,8) R15-M1-N14-J21
Task 2121 of 4096 (2,0,0,2,0,9) R15-M1-N14-J21
Task 2122 of 4096 (2,0,0,2,0,10) R15-M1-N14-J21
Task 2123 of 4096 (2,0,0,2,0,11) R15-M1-N14-J21
Task 2124 of 4096 (2,0,0,2,0,12) R15-M1-N14-J21
Task 2125 of 4096 (2,0,0,2,0,13) R15-M1-N14-J21
Task 2126 of 4096 (2,0,0,2,0,14) R15-M1-N14-J21
Task 2127 of 4096 (2,0,0,2,0,15) R15-M1-N14-J21
Task 2128 of 4096 (2,0,0,2,1,0) R15-M1-N14-J18
Task 2129 of 4096 (2,0,0,2,1,1) R15-M1-N14-J18
Task 2130 of 4096 (2,0,0,2,1,2) R15-M1-N14-J18
Task 2131 of 4096 (2,0,0,2,1,3) R15-M1-N14-J18
Task 2132 of 4096 (2,0,0,2,1,4) R15-M1-N14-J18
Task 2133 of 4096 (2,0,0,2,1,5) R15-M1-N14-J18
Task 2134 of 4096 (2,0,0,2,1,6) R15-M1-N14-J18
Task 2135 of 4096 (2,0,0,2,1,7) R15-M1-N14-J18
Task 2136 of 4096 (2,0,0,2,1,8) R15-M1-N14-J18
Task 2137 of 4096 (2,0,0,2,1,9) R15-M1-N14-J18
Task 2138 of 4096 (2,0,0,2,1,10) R15-M1-N14-J18
Task 2139 of 4096 (2,0,0,2,1,11) R15-M1-N14-J18
Task 2140 of 4096 (2,0,0,2,1,12) R15-M1-N14-J18
Task 2141 of 4096 (2,0,0,2,1,13) R15-M1-N14-J18
Task 2142 of 4096 (2,0,0,2,1,14) R15-M1-N14-J18
Task 2143 of 4096 (2,0,0,2,1,15) R15-M1-N14-J18
Task 2144 of 4096 (2,0,0,3,0,0) R15-M1-N14-J25
Task 2145 of 4096 (2,0,0,3,0,1) R15-M1-N14-J25
Task 2146 of 4096 (2,0,0,3,0,2) R15-M1-N14-J25
Task 2147 of 4096 (2,0,0,3,0,3) R15-M1-N14-J25
Task 2148 of 4096 (2,0,0,3,0,4) R15-M1-N14-J25
Task 2149 of 4096 (2,0,0,3,0,5) R15-M1-N14-J25
Task 2150 of 4096 (2,0,0,3,0,6) R15-M1-N14-J25
Task 2151 of 4096 (2,0,0,3,0,7) R15-M1-N14-J25
Task 2152 of 4096 (2,0,0,3,0,8) R15-M1-N14-J25
Task 2153 of 4096 (2,0,0,3,0,9) R15-M1-N14-J25
Task 2154 of 4096 (2,0,0,3,0,10) R15-M1-N14-J25
Task 2155 of 4096 (2,0,0,3,0,11) R15-M1-N14-J25
Task 2156 of 4096 (2,0,0,3,0,12) R15-M1-N14-J25
Task 2157 of 4096 (2,0,0,3,0,13) R15-M1-N14-J25
Task 2158 of 4096 (2,0,0,3,0,14) R15-M1-N14-J25
Task 2159 of 4096 (2,0,0,3,0,15) R15-M1-N14-J25
Task 2160 of 4096 (2,0,0,3,1,0) R15-M1-N14-J30
Task 2161 of 4096 (2,0,0,3,1,1) R15-M1-N14-J30
Task 2162 of 4096 (2,0,0,3,1,2) R15-M1-N14-J30
Task 2163 of 4096 (2,0,0,3,1,3) R15-M1-N14-J30
Task 2164 of 4096 (2,0,0,3,1,4) R15-M1-N14-J30
Task 2165 of 4096 (2,0,0,3,1,5) R15-M1-N14-J30
Task 2166 of 4096 (2,0,0,3,1,6) R15-M1-N14-J30
Task 2167 of 4096 (2,0,0,3,1,7) R15-M1-N14-J30
Task 2168 of 4096 (2,0,0,3,1,8) R15-M1-N14-J30
Task 2169 of 4096 (2,0,0,3,1,9) R15-M1-N14-J30
Task 2170 of 4096 (2,0,0,3,1,10) R15-M1-N14-J30
Task 2171 of 4096 (2,0,0,3,1,11) R15-M1-N14-J30
Task 2172 of 4096 (2,0,0,3,1,12) R15-M1-N14-J30
Task 2173 of 4096 (2,0,0,3,1,13) R15-M1-N14-J30
Task 2174 of 4096 (2,0,0,3,1,14) R15-M1-N14-J30
Task 2175 of 4096 (2,0,0,3,1,15) R15-M1-N14-J30
Task 2176 of 4096 (2,0,1,0,0,0) R15-M1-N12-J24
Task 2177 of 4096 (2,0,1,0,0,1) R15-M1-N12-J24
Task 2178 of 4096 (2,0,1,0,0,2) R15-M1-N12-J24
Task 2179 of 4096 (2,0,1,0,0,3) R15-M1-N12-J24
Task 2180 of 4096 (2,0,1,0,0,4) R15-M1-N12-J24
Task 2181 of 4096 (2,0,1,0,0,5) R15-M1-N12-J24
Task 2182 of 4096 (2,0,1,0,0,6) R15-M1-N12-J24
Task 2183 of 4096 (2,0,1,0,0,7) R15-M1-N12-J24
Task 2184 of 4096 (2,0,1,0,0,8) R15-M1-N12-J24
Task 2185 of 4096 (2,0,1,0,0,9) R15-M1-N12-J24
Task 2186 of 4096 (2,0,1,0,0,10) R15-M1-N12-J24
Task 2187 of 4096 (2,0,1,0,0,11) R15-M1-N12-J24
Task 2188 of 4096 (2,0,1,0,0,12) R15-M1-N12-J24
Task 2189 of 4096 (2,0,1,0,0,13) R15-M1-N12-J24
Task 2190 of 4096 (2,0,1,0,0,14) R15-M1-N12-J24
Task 2191 of 4096 (2,0,1,0,0,15) R15-M1-N12-J24
Task 2192 of 4096 (2,0,1,0,1,0) R15-M1-N12-J31
Task 2193 of 4096 (2,0,1,0,1,1) R15-M1-N12-J31
Task 2194 of 4096 (2,0,1,0,1,2) R15-M1-N12-J31
Task 2195 of 4096 (2,0,1,0,1,3) R15-M1-N12-J31
Task 2196 of 4096 (2,0,1,0,1,4) R15-M1-N12-J31
Task 2197 of 4096 (2,0,1,0,1,5) R15-M1-N12-J31
Task 2198 of 4096 (2,0,1,0,1,6) R15-M1-N12-J31
Task 2199 of 4096 (2,0,1,0,1,7) R15-M1-N12-J31
Task 2200 of 4096 (2,0,1,0,1,8) R15-M1-N12-J31
Task 2201 of 4096 (2,0,1,0,1,9) R15-M1-N12-J31
Task 2202 of 4096 (2,0,1,0,1,10) R15-M1-N12-J31
Task 2203 of 4096 (2,0,1,0,1,11) R15-M1-N12-J31
Task 2204 of 4096 (2,0,1,0,1,12) R15-M1-N12-J31
Task 2205 of 4096 (2,0,1,0,1,13) R15-M1-N12-J31
Task 2206 of 4096 (2,0,1,0,1,14) R15-M1-N12-J31
Task 2207 of 4096 (2,0,1,0,1,15) R15-M1-N12-J31
Task 2208 of 4096 (2,0,1,1,0,0) R15-M1-N12-J20
Task 2209 of 4096 (2,0,1,1,0,1) R15-M1-N12-J20
Task 2210 of 4096 (2,0,1,1,0,2) R15-M1-N12-J20
Task 2211 of 4096 (2,0,1,1,0,3) R15-M1-N12-J20
Task 2212 of 4096 (2,0,1,1,0,4) R15-M1-N12-J20
Task 2213 of 4096 (2,0,1,1,0,5) R15-M1-N12-J20
Task 2214 of 4096 (2,0,1,1,0,6) R15-M1-N12-J20
Task 2215 of 4096 (2,0,1,1,0,7) R15-M1-N12-J20
Task 2216 of 4096 (2,0,1,1,0,8) R15-M1-N12-J20
Task 2217 of 4096 (2,0,1,1,0,9) R15-M1-N12-J20
Task 2218 of 4096 (2,0,1,1,0,10) R15-M1-N12-J20
Task 2219 of 4096 (2,0,1,1,0,11) R15-M1-N12-J20
Task 2220 of 4096 (2,0,1,1,0,12) R15-M1-N12-J20
Task 2221 of 4096 (2,0,1,1,0,13) R15-M1-N12-J20
Task 2222 of 4096 (2,0,1,1,0,14) R15-M1-N12-J20
Task 2223 of 4096 (2,0,1,1,0,15) R15-M1-N12-J20
Task 2224 of 4096 (2,0,1,1,1,0) R15-M1-N12-J19
Task 2225 of 4096 (2,0,1,1,1,1) R15-M1-N12-J19
Task 2226 of 4096 (2,0,1,1,1,2) R15-M1-N12-J19
Task 2227 of 4096 (2,0,1,1,1,3) R15-M1-N12-J19
Task 2228 of 4096 (2,0,1,1,1,4) R15-M1-N12-J19
Task 2229 of 4096 (2,0,1,1,1,5) R15-M1-N12-J19
Task 2230 of 4096 (2,0,1,1,1,6) R15-M1-N12-J19
Task 2231 of 4096 (2,0,1,1,1,7) R15-M1-N12-J19
Task 2232 of 4096 (2,0,1,1,1,8) R15-M1-N12-J19
Task 2233 of 4096 (2,0,1,1,1,9) R15-M1-N12-J19
Task 2234 of 4096 (2,0,1,1,1,10) R15-M1-N12-J19
Task 2235 of 4096 (2,0,1,1,1,11) R15-M1-N12-J19
Task 2236 of 4096 (2,0,1,1,1,12) R15-M1-N12-J19
Task 2237 of 4096 (2,0,1,1,1,13) R15-M1-N12-J19
Task 2238 of 4096 (2,0,1,1,1,14) R15-M1-N12-J19
Task 2239 of 4096 (2,0,1,1,1,15) R15-M1-N12-J19
Task 2240 of 4096 (2,0,1,2,0,0) R15-M1-N14-J20
Task 2241 of 4096 (2,0,1,2,0,1) R15-M1-N14-J20
Task 2242 of 4096 (2,0,1,2,0,2) R15-M1-N14-J20
Task 2243 of 4096 (2,0,1,2,0,3) R15-M1-N14-J20
Task 2244 of 4096 (2,0,1,2,0,4) R15-M1-N14-J20
Task 2245 of 4096 (2,0,1,2,0,5) R15-M1-N14-J20
Task 2246 of 4096 (2,0,1,2,0,6) R15-M1-N14-J20
Task 2247 of 4096 (2,0,1,2,0,7) R15-M1-N14-J20
Task 2248 of 4096 (2,0,1,2,0,8) R15-M1-N14-J20
Task 2249 of 4096 (2,0,1,2,0,9) R15-M1-N14-J20
Task 2250 of 4096 (2,0,1,2,0,10) R15-M1-N14-J20
Task 2251 of 4096 (2,0,1,2,0,11) R15-M1-N14-J20
Task 2252 of 4096 (2,0,1,2,0,12) R15-M1-N14-J20
Task 2253 of 4096 (2,0,1,2,0,13) R15-M1-N14-J20
Task 2254 of 4096 (2,0,1,2,0,14) R15-M1-N14-J20
Task 2255 of 4096 (2,0,1,2,0,15) R15-M1-N14-J20
Task 2256 of 4096 (2,0,1,2,1,0) R15-M1-N14-J19
Task 2257 of 4096 (2,0,1,2,1,1) R15-M1-N14-J19
Task 2258 of 4096 (2,0,1,2,1,2) R15-M1-N14-J19
Task 2259 of 4096 (2,0,1,2,1,3) R15-M1-N14-J19
Task 2260 of 4096 (2,0,1,2,1,4) R15-M1-N14-J19
Task 2261 of 4096 (2,0,1,2,1,5) R15-M1-N14-J19
Task 2262 of 4096 (2,0,1,2,1,6) R15-M1-N14-J19
Task 2263 of 4096 (2,0,1,2,1,7) R15-M1-N14-J19
Task 2264 of 4096 (2,0,1,2,1,8) R15-M1-N14-J19
Task 2265 of 4096 (2,0,1,2,1,9) R15-M1-N14-J19
Task 2266 of 4096 (2,0,1,2,1,10) R15-M1-N14-J19
Task 2267 of 4096 (2,0,1,2,1,11) R15-M1-N14-J19
Task 2268 of 4096 (2,0,1,2,1,12) R15-M1-N14-J19
Task 2269 of 4096 (2,0,1,2,1,13) R15-M1-N14-J19
Task 2270 of 4096 (2,0,1,2,1,14) R15-M1-N14-J19
Task 2271 of 4096 (2,0,1,2,1,15) R15-M1-N14-J19
Task 2272 of 4096 (2,0,1,3,0,0) R15-M1-N14-J24
Task 2273 of 4096 (2,0,1,3,0,1) R15-M1-N14-J24
Task 2274 of 4096 (2,0,1,3,0,2) R15-M1-N14-J24
Task 2275 of 4096 (2,0,1,3,0,3) R15-M1-N14-J24
Task 2276 of 4096 (2,0,1,3,0,4) R15-M1-N14-J24
Task 2277 of 4096 (2,0,1,3,0,5) R15-M1-N14-J24
Task 2278 of 4096 (2,0,1,3,0,6) R15-M1-N14-J24
Task 2279 of 4096 (2,0,1,3,0,7) R15-M1-N14-J24
Task 2280 of 4096 (2,0,1,3,0,8) R15-M1-N14-J24
Task 2281 of 4096 (2,0,1,3,0,9) R15-M1-N14-J24
Task 2282 of 4096 (2,0,1,3,0,10) R15-M1-N14-J24
Task 2283 of 4096 (2,0,1,3,0,11) R15-M1-N14-J24
Task 2284 of 4096 (2,0,1,3,0,12) R15-M1-N14-J24
Task 2285 of 4096 (2,0,1,3,0,13) R15-M1-N14-J24
Task 2286 of 4096 (2,0,1,3,0,14) R15-M1-N14-J24
Task 2287 of 4096 (2,0,1,3,0,15) R15-M1-N14-J24
Task 2288 of 4096 (2,0,1,3,1,0) R15-M1-N14-J31
Task 2289 of 4096 (2,0,1,3,1,1) R15-M1-N14-J31
Task 2290 of 4096 (2,0,1,3,1,2) R15-M1-N14-J31
Task 2291 of 4096 (2,0,1,3,1,3) R15-M1-N14-J31
Task 2292 of 4096 (2,0,1,3,1,4) R15-M1-N14-J31
Task 2293 of 4096 (2,0,1,3,1,5) R15-M1-N14-J31
Task 2294 of 4096 (2,0,1,3,1,6) R15-M1-N14-J31
Task 2295 of 4096 (2,0,1,3,1,7) R15-M1-N14-J31
Task 2296 of 4096 (2,0,1,3,1,8) R15-M1-N14-J31
Task 2297 of 4096 (2,0,1,3,1,9) R15-M1-N14-J31
Task 2298 of 4096 (2,0,1,3,1,10) R15-M1-N14-J31
Task 2299 of 4096 (2,0,1,3,1,11) R15-M1-N14-J31
Task 2300 of 4096 (2,0,1,3,1,12) R15-M1-N14-J31
Task 2301 of 4096 (2,0,1,3,1,13) R15-M1-N14-J31
Task 2302 of 4096 (2,0,1,3,1,14) R15-M1-N14-J31
Task 2303 of 4096 (2,0,1,3,1,15) R15-M1-N14-J31
Task 2304 of 4096 (2,0,2,0,0,0) R15-M1-N13-J24
Task 2305 of 4096 (2,0,2,0,0,1) R15-M1-N13-J24
Task 2306 of 4096 (2,0,2,0,0,2) R15-M1-N13-J24
Task 2307 of 4096 (2,0,2,0,0,3) R15-M1-N13-J24
Task 2308 of 4096 (2,0,2,0,0,4) R15-M1-N13-J24
Task 2309 of 4096 (2,0,2,0,0,5) R15-M1-N13-J24
Task 2310 of 4096 (2,0,2,0,0,6) R15-M1-N13-J24
Task 2311 of 4096 (2,0,2,0,0,7) R15-M1-N13-J24
Task 2312 of 4096 (2,0,2,0,0,8) R15-M1-N13-J24
Task 2313 of 4096 (2,0,2,0,0,9) R15-M1-N13-J24
Task 2314 of 4096 (2,0,2,0,0,10) R15-M1-N13-J24
Task 2315 of 4096 (2,0,2,0,0,11) R15-M1-N13-J24
Task 2316 of 4096 (2,0,2,0,0,12) R15-M1-N13-J24
Task 2317 of 4096 (2,0,2,0,0,13) R15-M1-N13-J24
Task 2318 of 4096 (2,0,2,0,0,14) R15-M1-N13-J24
Task 2319 of 4096 (2,0,2,0,0,15) R15-M1-N13-J24
Task 2320 of 4096 (2,0,2,0,1,0) R15-M1-N13-J31
Task 2321 of 4096 (2,0,2,0,1,1) R15-M1-N13-J31
Task 2322 of 4096 (2,0,2,0,1,2) R15-M1-N13-J31
Task 2323 of 4096 (2,0,2,0,1,3) R15-M1-N13-J31
Task 2324 of 4096 (2,0,2,0,1,4) R15-M1-N13-J31
Task 2325 of 4096 (2,0,2,0,1,5) R15-M1-N13-J31
Task 2326 of 4096 (2,0,2,0,1,6) R15-M1-N13-J31
Task 2327 of 4096 (2,0,2,0,1,7) R15-M1-N13-J31
Task 2328 of 4096 (2,0,2,0,1,8) R15-M1-N13-J31
Task 2329 of 4096 (2,0,2,0,1,9) R15-M1-N13-J31
Task 2330 of 4096 (2,0,2,0,1,10) R15-M1-N13-J31
Task 2331 of 4096 (2,0,2,0,1,11) R15-M1-N13-J31
Task 2332 of 4096 (2,0,2,0,1,12) R15-M1-N13-J31
Task 2333 of 4096 (2,0,2,0,1,13) R15-M1-N13-J31
Task 2334 of 4096 (2,0,2,0,1,14) R15-M1-N13-J31
Task 2335 of 4096 (2,0,2,0,1,15) R15-M1-N13-J31
Task 2336 of 4096 (2,0,2,1,0,0) R15-M1-N13-J20
Task 2337 of 4096 (2,0,2,1,0,1) R15-M1-N13-J20
Task 2338 of 4096 (2,0,2,1,0,2) R15-M1-N13-J20
Task 2339 of 4096 (2,0,2,1,0,3) R15-M1-N13-J20
Task 2340 of 4096 (2,0,2,1,0,4) R15-M1-N13-J20
Task 2341 of 4096 (2,0,2,1,0,5) R15-M1-N13-J20
Task 2342 of 4096 (2,0,2,1,0,6) R15-M1-N13-J20
Task 2343 of 4096 (2,0,2,1,0,7) R15-M1-N13-J20
Task 2344 of 4096 (2,0,2,1,0,8) R15-M1-N13-J20
Task 2345 of 4096 (2,0,2,1,0,9) R15-M1-N13-J20
Task 2346 of 4096 (2,0,2,1,0,10) R15-M1-N13-J20
Task 2347 of 4096 (2,0,2,1,0,11) R15-M1-N13-J20
Task 2348 of 4096 (2,0,2,1,0,12) R15-M1-N13-J20
Task 2349 of 4096 (2,0,2,1,0,13) R15-M1-N13-J20
Task 2350 of 4096 (2,0,2,1,0,14) R15-M1-N13-J20
Task 2351 of 4096 (2,0,2,1,0,15) R15-M1-N13-J20
Task 2352 of 4096 (2,0,2,1,1,0) R15-M1-N13-J19
Task 2353 of 4096 (2,0,2,1,1,1) R15-M1-N13-J19
Task 2354 of 4096 (2,0,2,1,1,2) R15-M1-N13-J19
Task 2355 of 4096 (2,0,2,1,1,3) R15-M1-N13-J19
Task 2356 of 4096 (2,0,2,1,1,4) R15-M1-N13-J19
Task 2357 of 4096 (2,0,2,1,1,5) R15-M1-N13-J19
Task 2358 of 4096 (2,0,2,1,1,6) R15-M1-N13-J19
Task 2359 of 4096 (2,0,2,1,1,7) R15-M1-N13-J19
Task 2360 of 4096 (2,0,2,1,1,8) R15-M1-N13-J19
Task 2361 of 4096 (2,0,2,1,1,9) R15-M1-N13-J19
Task 2362 of 4096 (2,0,2,1,1,10) R15-M1-N13-J19
Task 2363 of 4096 (2,0,2,1,1,11) R15-M1-N13-J19
Task 2364 of 4096 (2,0,2,1,1,12) R15-M1-N13-J19
Task 2365 of 4096 (2,0,2,1,1,13) R15-M1-N13-J19
Task 2366 of 4096 (2,0,2,1,1,14) R15-M1-N13-J19
Task 2367 of 4096 (2,0,2,1,1,15) R15-M1-N13-J19
Task 2368 of 4096 (2,0,2,2,0,0) R15-M1-N15-J20
Task 2369 of 4096 (2,0,2,2,0,1) R15-M1-N15-J20
Task 2370 of 4096 (2,0,2,2,0,2) R15-M1-N15-J20
Task 2371 of 4096 (2,0,2,2,0,3) R15-M1-N15-J20
Task 2372 of 4096 (2,0,2,2,0,4) R15-M1-N15-J20
Task 2373 of 4096 (2,0,2,2,0,5) R15-M1-N15-J20
Task 2374 of 4096 (2,0,2,2,0,6) R15-M1-N15-J20
Task 2375 of 4096 (2,0,2,2,0,7) R15-M1-N15-J20
Task 2376 of 4096 (2,0,2,2,0,8) R15-M1-N15-J20
Task 2377 of 4096 (2,0,2,2,0,9) R15-M1-N15-J20
Task 2378 of 4096 (2,0,2,2,0,10) R15-M1-N15-J20
Task 2379 of 4096 (2,0,2,2,0,11) R15-M1-N15-J20
Task 2380 of 4096 (2,0,2,2,0,12) R15-M1-N15-J20
Task 2381 of 4096 (2,0,2,2,0,13) R15-M1-N15-J20
Task 2382 of 4096 (2,0,2,2,0,14) R15-M1-N15-J20
Task 2383 of 4096 (2,0,2,2,0,15) R15-M1-N15-J20
Task 2384 of 4096 (2,0,2,2,1,0) R15-M1-N15-J19
Task 2385 of 4096 (2,0,2,2,1,1) R15-M1-N15-J19
Task 2386 of 4096 (2,0,2,2,1,2) R15-M1-N15-J19
Task 2387 of 4096 (2,0,2,2,1,3) R15-M1-N15-J19
Task 2388 of 4096 (2,0,2,2,1,4) R15-M1-N15-J19
Task 2389 of 4096 (2,0,2,2,1,5) R15-M1-N15-J19
Task 2390 of 4096 (2,0,2,2,1,6) R15-M1-N15-J19
Task 2391 of 4096 (2,0,2,2,1,7) R15-M1-N15-J19
Task 2392 of 4096 (2,0,2,2,1,8) R15-M1-N15-J19
Task 2393 of 4096 (2,0,2,2,1,9) R15-M1-N15-J19
Task 2394 of 4096 (2,0,2,2,1,10) R15-M1-N15-J19
Task 2395 of 4096 (2,0,2,2,1,11) R15-M1-N15-J19
Task 2396 of 4096 (2,0,2,2,1,12) R15-M1-N15-J19
Task 2397 of 4096 (2,0,2,2,1,13) R15-M1-N15-J19
Task 2398 of 4096 (2,0,2,2,1,14) R15-M1-N15-J19
Task 2399 of 4096 (2,0,2,2,1,15) R15-M1-N15-J19
Task 2400 of 4096 (2,0,2,3,0,0) R15-M1-N15-J24
Task 2401 of 4096 (2,0,2,3,0,1) R15-M1-N15-J24
Task 2402 of 4096 (2,0,2,3,0,2) R15-M1-N15-J24
Task 2403 of 4096 (2,0,2,3,0,3) R15-M1-N15-J24
Task 2404 of 4096 (2,0,2,3,0,4) R15-M1-N15-J24
Task 2405 of 4096 (2,0,2,3,0,5) R15-M1-N15-J24
Task 2406 of 4096 (2,0,2,3,0,6) R15-M1-N15-J24
Task 2407 of 4096 (2,0,2,3,0,7) R15-M1-N15-J24
Task 2408 of 4096 (2,0,2,3,0,8) R15-M1-N15-J24
Task 2409 of 4096 (2,0,2,3,0,9) R15-M1-N15-J24
Task 2410 of 4096 (2,0,2,3,0,10) R15-M1-N15-J24
Task 2411 of 4096 (2,0,2,3,0,11) R15-M1-N15-J24
Task 2412 of 4096 (2,0,2,3,0,12) R15-M1-N15-J24
Task 2413 of 4096 (2,0,2,3,0,13) R15-M1-N15-J24
Task 2414 of 4096 (2,0,2,3,0,14) R15-M1-N15-J24
Task 2415 of 4096 (2,0,2,3,0,15) R15-M1-N15-J24
Task 2416 of 4096 (2,0,2,3,1,0) R15-M1-N15-J31
Task 2417 of 4096 (2,0,2,3,1,1) R15-M1-N15-J31
Task 2418 of 4096 (2,0,2,3,1,2) R15-M1-N15-J31
Task 2419 of 4096 (2,0,2,3,1,3) R15-M1-N15-J31
Task 2420 of 4096 (2,0,2,3,1,4) R15-M1-N15-J31
Task 2421 of 4096 (2,0,2,3,1,5) R15-M1-N15-J31
Task 2422 of 4096 (2,0,2,3,1,6) R15-M1-N15-J31
Task 2423 of 4096 (2,0,2,3,1,7) R15-M1-N15-J31
Task 2424 of 4096 (2,0,2,3,1,8) R15-M1-N15-J31
Task 2425 of 4096 (2,0,2,3,1,9) R15-M1-N15-J31
Task 2426 of 4096 (2,0,2,3,1,10) R15-M1-N15-J31
Task 2427 of 4096 (2,0,2,3,1,11) R15-M1-N15-J31
Task 2428 of 4096 (2,0,2,3,1,12) R15-M1-N15-J31
Task 2429 of 4096 (2,0,2,3,1,13) R15-M1-N15-J31
Task 2430 of 4096 (2,0,2,3,1,14) R15-M1-N15-J31
Task 2431 of 4096 (2,0,2,3,1,15) R15-M1-N15-J31
Task 2432 of 4096 (2,0,3,0,0,0) R15-M1-N13-J25
Task 2433 of 4096 (2,0,3,0,0,1) R15-M1-N13-J25
Task 2434 of 4096 (2,0,3,0,0,2) R15-M1-N13-J25
Task 2435 of 4096 (2,0,3,0,0,3) R15-M1-N13-J25
Task 2436 of 4096 (2,0,3,0,0,4) R15-M1-N13-J25
Task 2437 of 4096 (2,0,3,0,0,5) R15-M1-N13-J25
Task 2438 of 4096 (2,0,3,0,0,6) R15-M1-N13-J25
Task 2439 of 4096 (2,0,3,0,0,7) R15-M1-N13-J25
Task 2440 of 4096 (2,0,3,0,0,8) R15-M1-N13-J25
Task 2441 of 4096 (2,0,3,0,0,9) R15-M1-N13-J25
Task 2442 of 4096 (2,0,3,0,0,10) R15-M1-N13-J25
Task 2443 of 4096 (2,0,3,0,0,11) R15-M1-N13-J25
Task 2444 of 4096 (2,0,3,0,0,12) R15-M1-N13-J25
Task 2445 of 4096 (2,0,3,0,0,13) R15-M1-N13-J25
Task 2446 of 4096 (2,0,3,0,0,14) R15-M1-N13-J25
Task 2447 of 4096 (2,0,3,0,0,15) R15-M1-N13-J25
Task 2448 of 4096 (2,0,3,0,1,0) R15-M1-N13-J30
Task 2449 of 4096 (2,0,3,0,1,1) R15-M1-N13-J30
Task 2450 of 4096 (2,0,3,0,1,2) R15-M1-N13-J30
Task 2451 of 4096 (2,0,3,0,1,3) R15-M1-N13-J30
Task 2452 of 4096 (2,0,3,0,1,4) R15-M1-N13-J30
Task 2453 of 4096 (2,0,3,0,1,5) R15-M1-N13-J30
Task 2454 of 4096 (2,0,3,0,1,6) R15-M1-N13-J30
Task 2455 of 4096 (2,0,3,0,1,7) R15-M1-N13-J30
Task 2456 of 4096 (2,0,3,0,1,8) R15-M1-N13-J30
Task 2457 of 4096 (2,0,3,0,1,9) R15-M1-N13-J30
Task 2458 of 4096 (2,0,3,0,1,10) R15-M1-N13-J30
Task 2459 of 4096 (2,0,3,0,1,11) R15-M1-N13-J30
Task 2460 of 4096 (2,0,3,0,1,12) R15-M1-N13-J30
Task 2461 of 4096 (2,0,3,0,1,13) R15-M1-N13-J30
Task 2462 of 4096 (2,0,3,0,1,14) R15-M1-N13-J30
Task 2463 of 4096 (2,0,3,0,1,15) R15-M1-N13-J30
Task 2464 of 4096 (2,0,3,1,0,0) R15-M1-N13-J21
Task 2465 of 4096 (2,0,3,1,0,1) R15-M1-N13-J21
Task 2466 of 4096 (2,0,3,1,0,2) R15-M1-N13-J21
Task 2467 of 4096 (2,0,3,1,0,3) R15-M1-N13-J21
Task 2468 of 4096 (2,0,3,1,0,4) R15-M1-N13-J21
Task 2469 of 4096 (2,0,3,1,0,5) R15-M1-N13-J21
Task 2470 of 4096 (2,0,3,1,0,6) R15-M1-N13-J21
Task 2471 of 4096 (2,0,3,1,0,7) R15-M1-N13-J21
Task 2472 of 4096 (2,0,3,1,0,8) R15-M1-N13-J21
Task 2473 of 4096 (2,0,3,1,0,9) R15-M1-N13-J21
Task 2474 of 4096 (2,0,3,1,0,10) R15-M1-N13-J21
Task 2475 of 4096 (2,0,3,1,0,11) R15-M1-N13-J21
Task 2476 of 4096 (2,0,3,1,0,12) R15-M1-N13-J21
Task 2477 of 4096 (2,0,3,1,0,13) R15-M1-N13-J21
Task 2478 of 4096 (2,0,3,1,0,14) R15-M1-N13-J21
Task 2479 of 4096 (2,0,3,1,0,15) R15-M1-N13-J21
Task 2480 of 4096 (2,0,3,1,1,0) R15-M1-N13-J18
Task 2481 of 4096 (2,0,3,1,1,1) R15-M1-N13-J18
Task 2482 of 4096 (2,0,3,1,1,2) R15-M1-N13-J18
Task 2483 of 4096 (2,0,3,1,1,3) R15-M1-N13-J18
Task 2484 of 4096 (2,0,3,1,1,4) R15-M1-N13-J18
Task 2485 of 4096 (2,0,3,1,1,5) R15-M1-N13-J18
Task 2486 of 4096 (2,0,3,1,1,6) R15-M1-N13-J18
Task 2487 of 4096 (2,0,3,1,1,7) R15-M1-N13-J18
Task 2488 of 4096 (2,0,3,1,1,8) R15-M1-N13-J18
Task 2489 of 4096 (2,0,3,1,1,9) R15-M1-N13-J18
Task 2490 of 4096 (2,0,3,1,1,10) R15-M1-N13-J18
Task 2491 of 4096 (2,0,3,1,1,11) R15-M1-N13-J18
Task 2492 of 4096 (2,0,3,1,1,12) R15-M1-N13-J18
Task 2493 of 4096 (2,0,3,1,1,13) R15-M1-N13-J18
Task 2494 of 4096 (2,0,3,1,1,14) R15-M1-N13-J18
Task 2495 of 4096 (2,0,3,1,1,15) R15-M1-N13-J18
Task 2496 of 4096 (2,0,3,2,0,0) R15-M1-N15-J21
Task 2497 of 4096 (2,0,3,2,0,1) R15-M1-N15-J21
Task 2498 of 4096 (2,0,3,2,0,2) R15-M1-N15-J21
Task 2499 of 4096 (2,0,3,2,0,3) R15-M1-N15-J21
Task 2500 of 4096 (2,0,3,2,0,4) R15-M1-N15-J21
Task 2501 of 4096 (2,0,3,2,0,5) R15-M1-N15-J21
Task 2502 of 4096 (2,0,3,2,0,6) R15-M1-N15-J21
Task 2503 of 4096 (2,0,3,2,0,7) R15-M1-N15-J21
Task 2504 of 4096 (2,0,3,2,0,8) R15-M1-N15-J21
Task 2505 of 4096 (2,0,3,2,0,9) R15-M1-N15-J21
Task 2506 of 4096 (2,0,3,2,0,10) R15-M1-N15-J21
Task 2507 of 4096 (2,0,3,2,0,11) R15-M1-N15-J21
Task 2508 of 4096 (2,0,3,2,0,12) R15-M1-N15-J21
Task 2509 of 4096 (2,0,3,2,0,13) R15-M1-N15-J21
Task 2510 of 4096 (2,0,3,2,0,14) R15-M1-N15-J21
Task 2511 of 4096 (2,0,3,2,0,15) R15-M1-N15-J21
Task 2512 of 4096 (2,0,3,2,1,0) R15-M1-N15-J18
Task 2513 of 4096 (2,0,3,2,1,1) R15-M1-N15-J18
Task 2514 of 4096 (2,0,3,2,1,2) R15-M1-N15-J18
Task 2515 of 4096 (2,0,3,2,1,3) R15-M1-N15-J18
Task 2516 of 4096 (2,0,3,2,1,4) R15-M1-N15-J18
Task 2517 of 4096 (2,0,3,2,1,5) R15-M1-N15-J18
Task 2518 of 4096 (2,0,3,2,1,6) R15-M1-N15-J18
Task 2519 of 4096 (2,0,3,2,1,7) R15-M1-N15-J18
Task 2520 of 4096 (2,0,3,2,1,8) R15-M1-N15-J18
Task 2521 of 4096 (2,0,3,2,1,9) R15-M1-N15-J18
Task 2522 of 4096 (2,0,3,2,1,10) R15-M1-N15-J18
Task 2523 of 4096 (2,0,3,2,1,11) R15-M1-N15-J18
Task 2524 of 4096 (2,0,3,2,1,12) R15-M1-N15-J18
Task 2525 of 4096 (2,0,3,2,1,13) R15-M1-N15-J18
Task 2526 of 4096 (2,0,3,2,1,14) R15-M1-N15-J18
Task 2527 of 4096 (2,0,3,2,1,15) R15-M1-N15-J18
Task 2528 of 4096 (2,0,3,3,0,0) R15-M1-N15-J25
Task 2529 of 4096 (2,0,3,3,0,1) R15-M1-N15-J25
Task 2530 of 4096 (2,0,3,3,0,2) R15-M1-N15-J25
Task 2531 of 4096 (2,0,3,3,0,3) R15-M1-N15-J25
Task 2532 of 4096 (2,0,3,3,0,4) R15-M1-N15-J25
Task 2533 of 4096 (2,0,3,3,0,5) R15-M1-N15-J25
Task 2534 of 4096 (2,0,3,3,0,6) R15-M1-N15-J25
Task 2535 of 4096 (2,0,3,3,0,7) R15-M1-N15-J25
Task 2536 of 4096 (2,0,3,3,0,8) R15-M1-N15-J25
Task 2537 of 4096 (2,0,3,3,0,9) R15-M1-N15-J25
Task 2538 of 4096 (2,0,3,3,0,10) R15-M1-N15-J25
Task 2539 of 4096 (2,0,3,3,0,11) R15-M1-N15-J25
Task 2540 of 4096 (2,0,3,3,0,12) R15-M1-N15-J25
Task 2541 of 4096 (2,0,3,3,0,13) R15-M1-N15-J25
Task 2542 of 4096 (2,0,3,3,0,14) R15-M1-N15-J25
Task 2543 of 4096 (2,0,3,3,0,15) R15-M1-N15-J25
Task 2544 of 4096 (2,0,3,3,1,0) R15-M1-N15-J30
Task 2545 of 4096 (2,0,3,3,1,1) R15-M1-N15-J30
Task 2546 of 4096 (2,0,3,3,1,2) R15-M1-N15-J30
Task 2547 of 4096 (2,0,3,3,1,3) R15-M1-N15-J30
Task 2548 of 4096 (2,0,3,3,1,4) R15-M1-N15-J30
Task 2549 of 4096 (2,0,3,3,1,5) R15-M1-N15-J30
Task 2550 of 4096 (2,0,3,3,1,6) R15-M1-N15-J30
Task 2551 of 4096 (2,0,3,3,1,7) R15-M1-N15-J30
Task 2552 of 4096 (2,0,3,3,1,8) R15-M1-N15-J30
Task 2553 of 4096 (2,0,3,3,1,9) R15-M1-N15-J30
Task 2554 of 4096 (2,0,3,3,1,10) R15-M1-N15-J30
Task 2555 of 4096 (2,0,3,3,1,11) R15-M1-N15-J30
Task 2556 of 4096 (2,0,3,3,1,12) R15-M1-N15-J30
Task 2557 of 4096 (2,0,3,3,1,13) R15-M1-N15-J30
Task 2558 of 4096 (2,0,3,3,1,14) R15-M1-N15-J30
Task 2559 of 4096 (2,0,3,3,1,15) R15-M1-N15-J30
Task 2560 of 4096 (2,1,0,0,0,0) R15-M1-N12-J26
Task 2561 of 4096 (2,1,0,0,0,1) R15-M1-N12-J26
Task 2562 of 4096 (2,1,0,0,0,2) R15-M1-N12-J26
Task 2563 of 4096 (2,1,0,0,0,3) R15-M1-N12-J26
Task 2564 of 4096 (2,1,0,0,0,4) R15-M1-N12-J26
Task 2565 of 4096 (2,1,0,0,0,5) R15-M1-N12-J26
Task 2566 of 4096 (2,1,0,0,0,6) R15-M1-N12-J26
Task 2567 of 4096 (2,1,0,0,0,7) R15-M1-N12-J26
Task 2568 of 4096 (2,1,0,0,0,8) R15-M1-N12-J26
Task 2569 of 4096 (2,1,0,0,0,9) R15-M1-N12-J26
Task 2570 of 4096 (2,1,0,0,0,10) R15-M1-N12-J26
Task 2571 of 4096 (2,1,0,0,0,11) R15-M1-N12-J26
Task 2572 of 4096 (2,1,0,0,0,12) R15-M1-N12-J26
Task 2573 of 4096 (2,1,0,0,0,13) R15-M1-N12-J26
Task 2574 of 4096 (2,1,0,0,0,14) R15-M1-N12-J26
Task 2575 of 4096 (2,1,0,0,0,15) R15-M1-N12-J26
Task 2576 of 4096 (2,1,0,0,1,0) R15-M1-N12-J29
Task 2577 of 4096 (2,1,0,0,1,1) R15-M1-N12-J29
Task 2578 of 4096 (2,1,0,0,1,2) R15-M1-N12-J29
Task 2579 of 4096 (2,1,0,0,1,3) R15-M1-N12-J29
Task 2580 of 4096 (2,1,0,0,1,4) R15-M1-N12-J29
Task 2581 of 4096 (2,1,0,0,1,5) R15-M1-N12-J29
Task 2582 of 4096 (2,1,0,0,1,6) R15-M1-N12-J29
Task 2583 of 4096 (2,1,0,0,1,7) R15-M1-N12-J29
Task 2584 of 4096 (2,1,0,0,1,8) R15-M1-N12-J29
Task 2585 of 4096 (2,1,0,0,1,9) R15-M1-N12-J29
Task 2586 of 4096 (2,1,0,0,1,10) R15-M1-N12-J29
Task 2587 of 4096 (2,1,0,0,1,11) R15-M1-N12-J29
Task 2588 of 4096 (2,1,0,0,1,12) R15-M1-N12-J29
Task 2589 of 4096 (2,1,0,0,1,13) R15-M1-N12-J29
Task 2590 of 4096 (2,1,0,0,1,14) R15-M1-N12-J29
Task 2591 of 4096 (2,1,0,0,1,15) R15-M1-N12-J29
Task 2592 of 4096 (2,1,0,1,0,0) R15-M1-N12-J22
Task 2593 of 4096 (2,1,0,1,0,1) R15-M1-N12-J22
Task 2594 of 4096 (2,1,0,1,0,2) R15-M1-N12-J22
Task 2595 of 4096 (2,1,0,1,0,3) R15-M1-N12-J22
Task 2596 of 4096 (2,1,0,1,0,4) R15-M1-N12-J22
Task 2597 of 4096 (2,1,0,1,0,5) R15-M1-N12-J22
Task 2598 of 4096 (2,1,0,1,0,6) R15-M1-N12-J22
Task 2599 of 4096 (2,1,0,1,0,7) R15-M1-N12-J22
Task 2600 of 4096 (2,1,0,1,0,8) R15-M1-N12-J22
Task 2601 of 4096 (2,1,0,1,0,9) R15-M1-N12-J22
Task 2602 of 4096 (2,1,0,1,0,10) R15-M1-N12-J22
Task 2603 of 4096 (2,1,0,1,0,11) R15-M1-N12-J22
Task 2604 of 4096 (2,1,0,1,0,12) R15-M1-N12-J22
Task 2605 of 4096 (2,1,0,1,0,13) R15-M1-N12-J22
Task 2606 of 4096 (2,1,0,1,0,14) R15-M1-N12-J22
Task 2607 of 4096 (2,1,0,1,0,15) R15-M1-N12-J22
Task 2608 of 4096 (2,1,0,1,1,0) R15-M1-N12-J17
Task 2609 of 4096 (2,1,0,1,1,1) R15-M1-N12-J17
Task 2610 of 4096 (2,1,0,1,1,2) R15-M1-N12-J17
Task 2611 of 4096 (2,1,0,1,1,3) R15-M1-N12-J17
Task 2612 of 4096 (2,1,0,1,1,4) R15-M1-N12-J17
Task 2613 of 4096 (2,1,0,1,1,5) R15-M1-N12-J17
Task 2614 of 4096 (2,1,0,1,1,6) R15-M1-N12-J17
Task 2615 of 4096 (2,1,0,1,1,7) R15-M1-N12-J17
Task 2616 of 4096 (2,1,0,1,1,8) R15-M1-N12-J17
Task 2617 of 4096 (2,1,0,1,1,9) R15-M1-N12-J17
Task 2618 of 4096 (2,1,0,1,1,10) R15-M1-N12-J17
Task 2619 of 4096 (2,1,0,1,1,11) R15-M1-N12-J17
Task 2620 of 4096 (2,1,0,1,1,12) R15-M1-N12-J17
Task 2621 of 4096 (2,1,0,1,1,13) R15-M1-N12-J17
Task 2622 of 4096 (2,1,0,1,1,14) R15-M1-N12-J17
Task 2623 of 4096 (2,1,0,1,1,15) R15-M1-N12-J17
Task 2624 of 4096 (2,1,0,2,0,0) R15-M1-N14-J22
Task 2625 of 4096 (2,1,0,2,0,1) R15-M1-N14-J22
Task 2626 of 4096 (2,1,0,2,0,2) R15-M1-N14-J22
Task 2627 of 4096 (2,1,0,2,0,3) R15-M1-N14-J22
Task 2628 of 4096 (2,1,0,2,0,4) R15-M1-N14-J22
Task 2629 of 4096 (2,1,0,2,0,5) R15-M1-N14-J22
Task 2630 of 4096 (2,1,0,2,0,6) R15-M1-N14-J22
Task 2631 of 4096 (2,1,0,2,0,7) R15-M1-N14-J22
Task 2632 of 4096 (2,1,0,2,0,8) R15-M1-N14-J22
Task 2633 of 4096 (2,1,0,2,0,9) R15-M1-N14-J22
Task 2634 of 4096 (2,1,0,2,0,10) R15-M1-N14-J22
Task 2635 of 4096 (2,1,0,2,0,11) R15-M1-N14-J22
Task 2636 of 4096 (2,1,0,2,0,12) R15-M1-N14-J22
Task 2637 of 4096 (2,1,0,2,0,13) R15-M1-N14-J22
Task 2638 of 4096 (2,1,0,2,0,14) R15-M1-N14-J22
Task 2639 of 4096 (2,1,0,2,0,15) R15-M1-N14-J22
Task 2640 of 4096 (2,1,0,2,1,0) R15-M1-N14-J17
Task 2641 of 4096 (2,1,0,2,1,1) R15-M1-N14-J17
Task 2642 of 4096 (2,1,0,2,1,2) R15-M1-N14-J17
Task 2643 of 4096 (2,1,0,2,1,3) R15-M1-N14-J17
Task 2644 of 4096 (2,1,0,2,1,4) R15-M1-N14-J17
Task 2645 of 4096 (2,1,0,2,1,5) R15-M1-N14-J17
Task 2646 of 4096 (2,1,0,2,1,6) R15-M1-N14-J17
Task 2647 of 4096 (2,1,0,2,1,7) R15-M1-N14-J17
Task 2648 of 4096 (2,1,0,2,1,8) R15-M1-N14-J17
Task 2649 of 4096 (2,1,0,2,1,9) R15-M1-N14-J17
Task 2650 of 4096 (2,1,0,2,1,10) R15-M1-N14-J17
Task 2651 of 4096 (2,1,0,2,1,11) R15-M1-N14-J17
Task 2652 of 4096 (2,1,0,2,1,12) R15-M1-N14-J17
Task 2653 of 4096 (2,1,0,2,1,13) R15-M1-N14-J17
Task 2654 of 4096 (2,1,0,2,1,14) R15-M1-N14-J17
Task 2655 of 4096 (2,1,0,2,1,15) R15-M1-N14-J17
Task 2656 of 4096 (2,1,0,3,0,0) R15-M1-N14-J26
Task 2657 of 4096 (2,1,0,3,0,1) R15-M1-N14-J26
Task 2658 of 4096 (2,1,0,3,0,2) R15-M1-N14-J26
Task 2659 of 4096 (2,1,0,3,0,3) R15-M1-N14-J26
Task 2660 of 4096 (2,1,0,3,0,4) R15-M1-N14-J26
Task 2661 of 4096 (2,1,0,3,0,5) R15-M1-N14-J26
Task 2662 of 4096 (2,1,0,3,0,6) R15-M1-N14-J26
Task 2663 of 4096 (2,1,0,3,0,7) R15-M1-N14-J26
Task 2664 of 4096 (2,1,0,3,0,8) R15-M1-N14-J26
Task 2665 of 4096 (2,1,0,3,0,9) R15-M1-N14-J26
Task 2666 of 4096 (2,1,0,3,0,10) R15-M1-N14-J26
Task 2667 of 4096 (2,1,0,3,0,11) R15-M1-N14-J26
Task 2668 of 4096 (2,1,0,3,0,12) R15-M1-N14-J26
Task 2669 of 4096 (2,1,0,3,0,13) R15-M1-N14-J26
Task 2670 of 4096 (2,1,0,3,0,14) R15-M1-N14-J26
Task 2671 of 4096 (2,1,0,3,0,15) R15-M1-N14-J26
Task 2672 of 4096 (2,1,0,3,1,0) R15-M1-N14-J29
Task 2673 of 4096 (2,1,0,3,1,1) R15-M1-N14-J29
Task 2674 of 4096 (2,1,0,3,1,2) R15-M1-N14-J29
Task 2675 of 4096 (2,1,0,3,1,3) R15-M1-N14-J29
Task 2676 of 4096 (2,1,0,3,1,4) R15-M1-N14-J29
Task 2677 of 4096 (2,1,0,3,1,5) R15-M1-N14-J29
Task 2678 of 4096 (2,1,0,3,1,6) R15-M1-N14-J29
Task 2679 of 4096 (2,1,0,3,1,7) R15-M1-N14-J29
Task 2680 of 4096 (2,1,0,3,1,8) R15-M1-N14-J29
Task 2681 of 4096 (2,1,0,3,1,9) R15-M1-N14-J29
Task 2682 of 4096 (2,1,0,3,1,10) R15-M1-N14-J29
Task 2683 of 4096 (2,1,0,3,1,11) R15-M1-N14-J29
Task 2684 of 4096 (2,1,0,3,1,12) R15-M1-N14-J29
Task 2685 of 4096 (2,1,0,3,1,13) R15-M1-N14-J29
Task 2686 of 4096 (2,1,0,3,1,14) R15-M1-N14-J29
Task 2687 of 4096 (2,1,0,3,1,15) R15-M1-N14-J29
Task 2688 of 4096 (2,1,1,0,0,0) R15-M1-N12-J27
Task 2689 of 4096 (2,1,1,0,0,1) R15-M1-N12-J27
Task 2690 of 4096 (2,1,1,0,0,2) R15-M1-N12-J27
Task 2691 of 4096 (2,1,1,0,0,3) R15-M1-N12-J27
Task 2692 of 4096 (2,1,1,0,0,4) R15-M1-N12-J27
Task 2693 of 4096 (2,1,1,0,0,5) R15-M1-N12-J27
Task 2694 of 4096 (2,1,1,0,0,6) R15-M1-N12-J27
Task 2695 of 4096 (2,1,1,0,0,7) R15-M1-N12-J27
Task 2696 of 4096 (2,1,1,0,0,8) R15-M1-N12-J27
Task 2697 of 4096 (2,1,1,0,0,9) R15-M1-N12-J27
Task 2698 of 4096 (2,1,1,0,0,10) R15-M1-N12-J27
Task 2699 of 4096 (2,1,1,0,0,11) R15-M1-N12-J27
Task 2700 of 4096 (2,1,1,0,0,12) R15-M1-N12-J27
Task 2701 of 4096 (2,1,1,0,0,13) R15-M1-N12-J27
Task 2702 of 4096 (2,1,1,0,0,14) R15-M1-N12-J27
Task 2703 of 4096 (2,1,1,0,0,15) R15-M1-N12-J27
Task 2704 of 4096 (2,1,1,0,1,0) R15-M1-N12-J28
Task 2705 of 4096 (2,1,1,0,1,1) R15-M1-N12-J28
Task 2706 of 4096 (2,1,1,0,1,2) R15-M1-N12-J28
Task 2707 of 4096 (2,1,1,0,1,3) R15-M1-N12-J28
Task 2708 of 4096 (2,1,1,0,1,4) R15-M1-N12-J28
Task 2709 of 4096 (2,1,1,0,1,5) R15-M1-N12-J28
Task 2710 of 4096 (2,1,1,0,1,6) R15-M1-N12-J28
Task 2711 of 4096 (2,1,1,0,1,7) R15-M1-N12-J28
Task 2712 of 4096 (2,1,1,0,1,8) R15-M1-N12-J28
Task 2713 of 4096 (2,1,1,0,1,9) R15-M1-N12-J28
Task 2714 of 4096 (2,1,1,0,1,10) R15-M1-N12-J28
Task 2715 of 4096 (2,1,1,0,1,11) R15-M1-N12-J28
Task 2716 of 4096 (2,1,1,0,1,12) R15-M1-N12-J28
Task 2717 of 4096 (2,1,1,0,1,13) R15-M1-N12-J28
Task 2718 of 4096 (2,1,1,0,1,14) R15-M1-N12-J28
Task 2719 of 4096 (2,1,1,0,1,15) R15-M1-N12-J28
Task 2720 of 4096 (2,1,1,1,0,0) R15-M1-N12-J23
Task 2721 of 4096 (2,1,1,1,0,1) R15-M1-N12-J23
Task 2722 of 4096 (2,1,1,1,0,2) R15-M1-N12-J23
Task 2723 of 4096 (2,1,1,1,0,3) R15-M1-N12-J23
Task 2724 of 4096 (2,1,1,1,0,4) R15-M1-N12-J23
Task 2725 of 4096 (2,1,1,1,0,5) R15-M1-N12-J23
Task 2726 of 4096 (2,1,1,1,0,6) R15-M1-N12-J23
Task 2727 of 4096 (2,1,1,1,0,7) R15-M1-N12-J23
Task 2728 of 4096 (2,1,1,1,0,8) R15-M1-N12-J23
Task 2729 of 4096 (2,1,1,1,0,9) R15-M1-N12-J23
Task 2730 of 4096 (2,1,1,1,0,10) R15-M1-N12-J23
Task 2731 of 4096 (2,1,1,1,0,11) R15-M1-N12-J23
Task 2732 of 4096 (2,1,1,1,0,12) R15-M1-N12-J23
Task 2733 of 4096 (2,1,1,1,0,13) R15-M1-N12-J23
Task 2734 of 4096 (2,1,1,1,0,14) R15-M1-N12-J23
Task 2735 of 4096 (2,1,1,1,0,15) R15-M1-N12-J23
Task 2736 of 4096 (2,1,1,1,1,0) R15-M1-N12-J16
Task 2737 of 4096 (2,1,1,1,1,1) R15-M1-N12-J16
Task 2738 of 4096 (2,1,1,1,1,2) R15-M1-N12-J16
Task 2739 of 4096 (2,1,1,1,1,3) R15-M1-N12-J16
Task 2740 of 4096 (2,1,1,1,1,4) R15-M1-N12-J16
Task 2741 of 4096 (2,1,1,1,1,5) R15-M1-N12-J16
Task 2742 of 4096 (2,1,1,1,1,6) R15-M1-N12-J16
Task 2743 of 4096 (2,1,1,1,1,7) R15-M1-N12-J16
Task 2744 of 4096 (2,1,1,1,1,8) R15-M1-N12-J16
Task 2745 of 4096 (2,1,1,1,1,9) R15-M1-N12-J16
Task 2746 of 4096 (2,1,1,1,1,10) R15-M1-N12-J16
Task 2747 of 4096 (2,1,1,1,1,11) R15-M1-N12-J16
Task 2748 of 4096 (2,1,1,1,1,12) R15-M1-N12-J16
Task 2749 of 4096 (2,1,1,1,1,13) R15-M1-N12-J16
Task 2750 of 4096 (2,1,1,1,1,14) R15-M1-N12-J16
Task 2751 of 4096 (2,1,1,1,1,15) R15-M1-N12-J16
Task 2752 of 4096 (2,1,1,2,0,0) R15-M1-N14-J23
Task 2753 of 4096 (2,1,1,2,0,1) R15-M1-N14-J23
Task 2754 of 4096 (2,1,1,2,0,2) R15-M1-N14-J23
Task 2755 of 4096 (2,1,1,2,0,3) R15-M1-N14-J23
Task 2756 of 4096 (2,1,1,2,0,4) R15-M1-N14-J23
Task 2757 of 4096 (2,1,1,2,0,5) R15-M1-N14-J23
Task 2758 of 4096 (2,1,1,2,0,6) R15-M1-N14-J23
Task 2759 of 4096 (2,1,1,2,0,7) R15-M1-N14-J23
Task 2760 of 4096 (2,1,1,2,0,8) R15-M1-N14-J23
Task 2761 of 4096 (2,1,1,2,0,9) R15-M1-N14-J23
Task 2762 of 4096 (2,1,1,2,0,10) R15-M1-N14-J23
Task 2763 of 4096 (2,1,1,2,0,11) R15-M1-N14-J23
Task 2764 of 4096 (2,1,1,2,0,12) R15-M1-N14-J23
Task 2765 of 4096 (2,1,1,2,0,13) R15-M1-N14-J23
Task 2766 of 4096 (2,1,1,2,0,14) R15-M1-N14-J23
Task 2767 of 4096 (2,1,1,2,0,15) R15-M1-N14-J23
Task 2768 of 4096 (2,1,1,2,1,0) R15-M1-N14-J16
Task 2769 of 4096 (2,1,1,2,1,1) R15-M1-N14-J16
Task 2770 of 4096 (2,1,1,2,1,2) R15-M1-N14-J16
Task 2771 of 4096 (2,1,1,2,1,3) R15-M1-N14-J16
Task 2772 of 4096 (2,1,1,2,1,4) R15-M1-N14-J16
Task 2773 of 4096 (2,1,1,2,1,5) R15-M1-N14-J16
Task 2774 of 4096 (2,1,1,2,1,6) R15-M1-N14-J16
Task 2775 of 4096 (2,1,1,2,1,7) R15-M1-N14-J16
Task 2776 of 4096 (2,1,1,2,1,8) R15-M1-N14-J16
Task 2777 of 4096 (2,1,1,2,1,9) R15-M1-N14-J16
Task 2778 of 4096 (2,1,1,2,1,10) R15-M1-N14-J16
Task 2779 of 4096 (2,1,1,2,1,11) R15-M1-N14-J16
Task 2780 of 4096 (2,1,1,2,1,12) R15-M1-N14-J16
Task 2781 of 4096 (2,1,1,2,1,13) R15-M1-N14-J16
Task 2782 of 4096 (2,1,1,2,1,14) R15-M1-N14-J16
Task 2783 of 4096 (2,1,1,2,1,15) R15-M1-N14-J16
Task 2784 of 4096 (2,1,1,3,0,0) R15-M1-N14-J27
Task 2785 of 4096 (2,1,1,3,0,1) R15-M1-N14-J27
Task 2786 of 4096 (2,1,1,3,0,2) R15-M1-N14-J27
Task 2787 of 4096 (2,1,1,3,0,3) R15-M1-N14-J27
Task 2788 of 4096 (2,1,1,3,0,4) R15-M1-N14-J27
Task 2789 of 4096 (2,1,1,3,0,5) R15-M1-N14-J27
Task 2790 of 4096 (2,1,1,3,0,6) R15-M1-N14-J27
Task 2791 of 4096 (2,1,1,3,0,7) R15-M1-N14-J27
Task 2792 of 4096 (2,1,1,3,0,8) R15-M1-N14-J27
Task 2793 of 4096 (2,1,1,3,0,9) R15-M1-N14-J27
Task 2794 of 4096 (2,1,1,3,0,10) R15-M1-N14-J27
Task 2795 of 4096 (2,1,1,3,0,11) R15-M1-N14-J27
Task 2796 of 4096 (2,1,1,3,0,12) R15-M1-N14-J27
Task 2797 of 4096 (2,1,1,3,0,13) R15-M1-N14-J27
Task 2798 of 4096 (2,1,1,3,0,14) R15-M1-N14-J27
Task 2799 of 4096 (2,1,1,3,0,15) R15-M1-N14-J27
Task 2800 of 4096 (2,1,1,3,1,0) R15-M1-N14-J28
Task 2801 of 4096 (2,1,1,3,1,1) R15-M1-N14-J28
Task 2802 of 4096 (2,1,1,3,1,2) R15-M1-N14-J28
Task 2803 of 4096 (2,1,1,3,1,3) R15-M1-N14-J28
Task 2804 of 4096 (2,1,1,3,1,4) R15-M1-N14-J28
Task 2805 of 4096 (2,1,1,3,1,5) R15-M1-N14-J28
Task 2806 of 4096 (2,1,1,3,1,6) R15-M1-N14-J28
Task 2807 of 4096 (2,1,1,3,1,7) R15-M1-N14-J28
Task 2808 of 4096 (2,1,1,3,1,8) R15-M1-N14-J28
Task 2809 of 4096 (2,1,1,3,1,9) R15-M1-N14-J28
Task 2810 of 4096 (2,1,1,3,1,10) R15-M1-N14-J28
Task 2811 of 4096 (2,1,1,3,1,11) R15-M1-N14-J28
Task 2812 of 4096 (2,1,1,3,1,12) R15-M1-N14-J28
Task 2813 of 4096 (2,1,1,3,1,13) R15-M1-N14-J28
Task 2814 of 4096 (2,1,1,3,1,14) R15-M1-N14-J28
Task 2815 of 4096 (2,1,1,3,1,15) R15-M1-N14-J28
Task 2816 of 4096 (2,1,2,0,0,0) R15-M1-N13-J27
Task 2817 of 4096 (2,1,2,0,0,1) R15-M1-N13-J27
Task 2818 of 4096 (2,1,2,0,0,2) R15-M1-N13-J27
Task 2819 of 4096 (2,1,2,0,0,3) R15-M1-N13-J27
Task 2820 of 4096 (2,1,2,0,0,4) R15-M1-N13-J27
Task 2821 of 4096 (2,1,2,0,0,5) R15-M1-N13-J27
Task 2822 of 4096 (2,1,2,0,0,6) R15-M1-N13-J27
Task 2823 of 4096 (2,1,2,0,0,7) R15-M1-N13-J27
Task 2824 of 4096 (2,1,2,0,0,8) R15-M1-N13-J27
Task 2825 of 4096 (2,1,2,0,0,9) R15-M1-N13-J27
Task 2826 of 4096 (2,1,2,0,0,10) R15-M1-N13-J27
Task 2827 of 4096 (2,1,2,0,0,11) R15-M1-N13-J27
Task 2828 of 4096 (2,1,2,0,0,12) R15-M1-N13-J27
Task 2829 of 4096 (2,1,2,0,0,13) R15-M1-N13-J27
Task 2830 of 4096 (2,1,2,0,0,14) R15-M1-N13-J27
Task 2831 of 4096 (2,1,2,0,0,15) R15-M1-N13-J27
Task 2832 of 4096 (2,1,2,0,1,0) R15-M1-N13-J28
Task 2833 of 4096 (2,1,2,0,1,1) R15-M1-N13-J28
Task 2834 of 4096 (2,1,2,0,1,2) R15-M1-N13-J28
Task 2835 of 4096 (2,1,2,0,1,3) R15-M1-N13-J28
Task 2836 of 4096 (2,1,2,0,1,4) R15-M1-N13-J28
Task 2837 of 4096 (2,1,2,0,1,5) R15-M1-N13-J28
Task 2838 of 4096 (2,1,2,0,1,6) R15-M1-N13-J28
Task 2839 of 4096 (2,1,2,0,1,7) R15-M1-N13-J28
Task 2840 of 4096 (2,1,2,0,1,8) R15-M1-N13-J28
Task 2841 of 4096 (2,1,2,0,1,9) R15-M1-N13-J28
Task 2842 of 4096 (2,1,2,0,1,10) R15-M1-N13-J28
Task 2843 of 4096 (2,1,2,0,1,11) R15-M1-N13-J28
Task 2844 of 4096 (2,1,2,0,1,12) R15-M1-N13-J28
Task 2845 of 4096 (2,1,2,0,1,13) R15-M1-N13-J28
Task 2846 of 4096 (2,1,2,0,1,14) R15-M1-N13-J28
Task 2847 of 4096 (2,1,2,0,1,15) R15-M1-N13-J28
Task 2848 of 4096 (2,1,2,1,0,0) R15-M1-N13-J23
Task 2849 of 4096 (2,1,2,1,0,1) R15-M1-N13-J23
Task 2850 of 4096 (2,1,2,1,0,2) R15-M1-N13-J23
Task 2851 of 4096 (2,1,2,1,0,3) R15-M1-N13-J23
Task 2852 of 4096 (2,1,2,1,0,4) R15-M1-N13-J23
Task 2853 of 4096 (2,1,2,1,0,5) R15-M1-N13-J23
Task 2854 of 4096 (2,1,2,1,0,6) R15-M1-N13-J23
Task 2855 of 4096 (2,1,2,1,0,7) R15-M1-N13-J23
Task 2856 of 4096 (2,1,2,1,0,8) R15-M1-N13-J23
Task 2857 of 4096 (2,1,2,1,0,9) R15-M1-N13-J23
Task 2858 of 4096 (2,1,2,1,0,10) R15-M1-N13-J23
Task 2859 of 4096 (2,1,2,1,0,11) R15-M1-N13-J23
Task 2860 of 4096 (2,1,2,1,0,12) R15-M1-N13-J23
Task 2861 of 4096 (2,1,2,1,0,13) R15-M1-N13-J23
Task 2862 of 4096 (2,1,2,1,0,14) R15-M1-N13-J23
Task 2863 of 4096 (2,1,2,1,0,15) R15-M1-N13-J23
Task 2864 of 4096 (2,1,2,1,1,0) R15-M1-N13-J16
Task 2865 of 4096 (2,1,2,1,1,1) R15-M1-N13-J16
Task 2866 of 4096 (2,1,2,1,1,2) R15-M1-N13-J16
Task 2867 of 4096 (2,1,2,1,1,3) R15-M1-N13-J16
Task 2868 of 4096 (2,1,2,1,1,4) R15-M1-N13-J16
Task 2869 of 4096 (2,1,2,1,1,5) R15-M1-N13-J16
Task 2870 of 4096 (2,1,2,1,1,6) R15-M1-N13-J16
Task 2871 of 4096 (2,1,2,1,1,7) R15-M1-N13-J16
Task 2872 of 4096 (2,1,2,1,1,8) R15-M1-N13-J16
Task 2873 of 4096 (2,1,2,1,1,9) R15-M1-N13-J16
Task 2874 of 4096 (2,1,2,1,1,10) R15-M1-N13-J16
Task 2875 of 4096 (2,1,2,1,1,11) R15-M1-N13-J16
Task 2876 of 4096 (2,1,2,1,1,12) R15-M1-N13-J16
Task 2877 of 4096 (2,1,2,1,1,13) R15-M1-N13-J16
Task 2878 of 4096 (2,1,2,1,1,14) R15-M1-N13-J16
Task 2879 of 4096 (2,1,2,1,1,15) R15-M1-N13-J16
Task 2880 of 4096 (2,1,2,2,0,0) R15-M1-N15-J23
Task 2881 of 4096 (2,1,2,2,0,1) R15-M1-N15-J23
Task 2882 of 4096 (2,1,2,2,0,2) R15-M1-N15-J23
Task 2883 of 4096 (2,1,2,2,0,3) R15-M1-N15-J23
Task 2884 of 4096 (2,1,2,2,0,4) R15-M1-N15-J23
Task 2885 of 4096 (2,1,2,2,0,5) R15-M1-N15-J23
Task 2886 of 4096 (2,1,2,2,0,6) R15-M1-N15-J23
Task 2887 of 4096 (2,1,2,2,0,7) R15-M1-N15-J23
Task 2888 of 4096 (2,1,2,2,0,8) R15-M1-N15-J23
Task 2889 of 4096 (2,1,2,2,0,9) R15-M1-N15-J23
Task 2890 of 4096 (2,1,2,2,0,10) R15-M1-N15-J23
Task 2891 of 4096 (2,1,2,2,0,11) R15-M1-N15-J23
Task 2892 of 4096 (2,1,2,2,0,12) R15-M1-N15-J23
Task 2893 of 4096 (2,1,2,2,0,13) R15-M1-N15-J23
Task 2894 of 4096 (2,1,2,2,0,14) R15-M1-N15-J23
Task 2895 of 4096 (2,1,2,2,0,15) R15-M1-N15-J23
Task 2896 of 4096 (2,1,2,2,1,0) R15-M1-N15-J16
Task 2897 of 4096 (2,1,2,2,1,1) R15-M1-N15-J16
Task 2898 of 4096 (2,1,2,2,1,2) R15-M1-N15-J16
Task 2899 of 4096 (2,1,2,2,1,3) R15-M1-N15-J16
Task 2900 of 4096 (2,1,2,2,1,4) R15-M1-N15-J16
Task 2901 of 4096 (2,1,2,2,1,5) R15-M1-N15-J16
Task 2902 of 4096 (2,1,2,2,1,6) R15-M1-N15-J16
Task 2903 of 4096 (2,1,2,2,1,7) R15-M1-N15-J16
Task 2904 of 4096 (2,1,2,2,1,8) R15-M1-N15-J16
Task 2905 of 4096 (2,1,2,2,1,9) R15-M1-N15-J16
Task 2906 of 4096 (2,1,2,2,1,10) R15-M1-N15-J16
Task 2907 of 4096 (2,1,2,2,1,11) R15-M1-N15-J16
Task 2908 of 4096 (2,1,2,2,1,12) R15-M1-N15-J16
Task 2909 of 4096 (2,1,2,2,1,13) R15-M1-N15-J16
Task 2910 of 4096 (2,1,2,2,1,14) R15-M1-N15-J16
Task 2911 of 4096 (2,1,2,2,1,15) R15-M1-N15-J16
Task 2912 of 4096 (2,1,2,3,0,0) R15-M1-N15-J27
Task 2913 of 4096 (2,1,2,3,0,1) R15-M1-N15-J27
Task 2914 of 4096 (2,1,2,3,0,2) R15-M1-N15-J27
Task 2915 of 4096 (2,1,2,3,0,3) R15-M1-N15-J27
Task 2916 of 4096 (2,1,2,3,0,4) R15-M1-N15-J27
Task 2917 of 4096 (2,1,2,3,0,5) R15-M1-N15-J27
Task 2918 of 4096 (2,1,2,3,0,6) R15-M1-N15-J27
Task 2919 of 4096 (2,1,2,3,0,7) R15-M1-N15-J27
Task 2920 of 4096 (2,1,2,3,0,8) R15-M1-N15-J27
Task 2921 of 4096 (2,1,2,3,0,9) R15-M1-N15-J27
Task 2922 of 4096 (2,1,2,3,0,10) R15-M1-N15-J27
Task 2923 of 4096 (2,1,2,3,0,11) R15-M1-N15-J27
Task 2924 of 4096 (2,1,2,3,0,12) R15-M1-N15-J27
Task 2925 of 4096 (2,1,2,3,0,13) R15-M1-N15-J27
Task 2926 of 4096 (2,1,2,3,0,14) R15-M1-N15-J27
Task 2927 of 4096 (2,1,2,3,0,15) R15-M1-N15-J27
Task 2928 of 4096 (2,1,2,3,1,0) R15-M1-N15-J28
Task 2929 of 4096 (2,1,2,3,1,1) R15-M1-N15-J28
Task 2930 of 4096 (2,1,2,3,1,2) R15-M1-N15-J28
Task 2931 of 4096 (2,1,2,3,1,3) R15-M1-N15-J28
Task 2932 of 4096 (2,1,2,3,1,4) R15-M1-N15-J28
Task 2933 of 4096 (2,1,2,3,1,5) R15-M1-N15-J28
Task 2934 of 4096 (2,1,2,3,1,6) R15-M1-N15-J28
Task 2935 of 4096 (2,1,2,3,1,7) R15-M1-N15-J28
Task 2936 of 4096 (2,1,2,3,1,8) R15-M1-N15-J28
Task 2937 of 4096 (2,1,2,3,1,9) R15-M1-N15-J28
Task 2938 of 4096 (2,1,2,3,1,10) R15-M1-N15-J28
Task 2939 of 4096 (2,1,2,3,1,11) R15-M1-N15-J28
Task 2940 of 4096 (2,1,2,3,1,12) R15-M1-N15-J28
Task 2941 of 4096 (2,1,2,3,1,13) R15-M1-N15-J28
Task 2942 of 4096 (2,1,2,3,1,14) R15-M1-N15-J28
Task 2943 of 4096 (2,1,2,3,1,15) R15-M1-N15-J28
Task 2944 of 4096 (2,1,3,0,0,0) R15-M1-N13-J26
Task 2945 of 4096 (2,1,3,0,0,1) R15-M1-N13-J26
Task 2946 of 4096 (2,1,3,0,0,2) R15-M1-N13-J26
Task 2947 of 4096 (2,1,3,0,0,3) R15-M1-N13-J26
Task 2948 of 4096 (2,1,3,0,0,4) R15-M1-N13-J26
Task 2949 of 4096 (2,1,3,0,0,5) R15-M1-N13-J26
Task 2950 of 4096 (2,1,3,0,0,6) R15-M1-N13-J26
Task 2951 of 4096 (2,1,3,0,0,7) R15-M1-N13-J26
Task 2952 of 4096 (2,1,3,0,0,8) R15-M1-N13-J26
Task 2953 of 4096 (2,1,3,0,0,9) R15-M1-N13-J26
Task 2954 of 4096 (2,1,3,0,0,10) R15-M1-N13-J26
Task 2955 of 4096 (2,1,3,0,0,11) R15-M1-N13-J26
Task 2956 of 4096 (2,1,3,0,0,12) R15-M1-N13-J26
Task 2957 of 4096 (2,1,3,0,0,13) R15-M1-N13-J26
Task 2958 of 4096 (2,1,3,0,0,14) R15-M1-N13-J26
Task 2959 of 4096 (2,1,3,0,0,15) R15-M1-N13-J26
Task 2960 of 4096 (2,1,3,0,1,0) R15-M1-N13-J29
Task 2961 of 4096 (2,1,3,0,1,1) R15-M1-N13-J29
Task 2962 of 4096 (2,1,3,0,1,2) R15-M1-N13-J29
Task 2963 of 4096 (2,1,3,0,1,3) R15-M1-N13-J29
Task 2964 of 4096 (2,1,3,0,1,4) R15-M1-N13-J29
Task 2965 of 4096 (2,1,3,0,1,5) R15-M1-N13-J29
Task 2966 of 4096 (2,1,3,0,1,6) R15-M1-N13-J29
Task 2967 of 4096 (2,1,3,0,1,7) R15-M1-N13-J29
Task 2968 of 4096 (2,1,3,0,1,8) R15-M1-N13-J29
Task 2969 of 4096 (2,1,3,0,1,9) R15-M1-N13-J29
Task 2970 of 4096 (2,1,3,0,1,10) R15-M1-N13-J29
Task 2971 of 4096 (2,1,3,0,1,11) R15-M1-N13-J29
Task 2972 of 4096 (2,1,3,0,1,12) R15-M1-N13-J29
Task 2973 of 4096 (2,1,3,0,1,13) R15-M1-N13-J29
Task 2974 of 4096 (2,1,3,0,1,14) R15-M1-N13-J29
Task 2975 of 4096 (2,1,3,0,1,15) R15-M1-N13-J29
Task 2976 of 4096 (2,1,3,1,0,0) R15-M1-N13-J22
Task 2977 of 4096 (2,1,3,1,0,1) R15-M1-N13-J22
Task 2978 of 4096 (2,1,3,1,0,2) R15-M1-N13-J22
Task 2979 of 4096 (2,1,3,1,0,3) R15-M1-N13-J22
Task 2980 of 4096 (2,1,3,1,0,4) R15-M1-N13-J22
Task 2981 of 4096 (2,1,3,1,0,5) R15-M1-N13-J22
Task 2982 of 4096 (2,1,3,1,0,6) R15-M1-N13-J22
Task 2983 of 4096 (2,1,3,1,0,7) R15-M1-N13-J22
Task 2984 of 4096 (2,1,3,1,0,8) R15-M1-N13-J22
Task 2985 of 4096 (2,1,3,1,0,9) R15-M1-N13-J22
Task 2986 of 4096 (2,1,3,1,0,10) R15-M1-N13-J22
Task 2987 of 4096 (2,1,3,1,0,11) R15-M1-N13-J22
Task 2988 of 4096 (2,1,3,1,0,12) R15-M1-N13-J22
Task 2989 of 4096 (2,1,3,1,0,13) R15-M1-N13-J22
Task 2990 of 4096 (2,1,3,1,0,14) R15-M1-N13-J22
Task 2991 of 4096 (2,1,3,1,0,15) R15-M1-N13-J22
Task 2992 of 4096 (2,1,3,1,1,0) R15-M1-N13-J17
Task 2993 of 4096 (2,1,3,1,1,1) R15-M1-N13-J17
Task 2994 of 4096 (2,1,3,1,1,2) R15-M1-N13-J17
Task 2995 of 4096 (2,1,3,1,1,3) R15-M1-N13-J17
Task 2996 of 4096 (2,1,3,1,1,4) R15-M1-N13-J17
Task 2997 of 4096 (2,1,3,1,1,5) R15-M1-N13-J17
Task 2998 of 4096 (2,1,3,1,1,6) R15-M1-N13-J17
Task 2999 of 4096 (2,1,3,1,1,7) R15-M1-N13-J17
Task 3000 of 4096 (2,1,3,1,1,8) R15-M1-N13-J17
Task 3001 of 4096 (2,1,3,1,1,9) R15-M1-N13-J17
Task 3002 of 4096 (2,1,3,1,1,10) R15-M1-N13-J17
Task 3003 of 4096 (2,1,3,1,1,11) R15-M1-N13-J17
Task 3004 of 4096 (2,1,3,1,1,12) R15-M1-N13-J17
Task 3005 of 4096 (2,1,3,1,1,13) R15-M1-N13-J17
Task 3006 of 4096 (2,1,3,1,1,14) R15-M1-N13-J17
Task 3007 of 4096 (2,1,3,1,1,15) R15-M1-N13-J17
Task 3008 of 4096 (2,1,3,2,0,0) R15-M1-N15-J22
Task 3009 of 4096 (2,1,3,2,0,1) R15-M1-N15-J22
Task 3010 of 4096 (2,1,3,2,0,2) R15-M1-N15-J22
Task 3011 of 4096 (2,1,3,2,0,3) R15-M1-N15-J22
Task 3012 of 4096 (2,1,3,2,0,4) R15-M1-N15-J22
Task 3013 of 4096 (2,1,3,2,0,5) R15-M1-N15-J22
Task 3014 of 4096 (2,1,3,2,0,6) R15-M1-N15-J22
Task 3015 of 4096 (2,1,3,2,0,7) R15-M1-N15-J22
Task 3016 of 4096 (2,1,3,2,0,8) R15-M1-N15-J22
Task 3017 of 4096 (2,1,3,2,0,9) R15-M1-N15-J22
Task 3018 of 4096 (2,1,3,2,0,10) R15-M1-N15-J22
Task 3019 of 4096 (2,1,3,2,0,11) R15-M1-N15-J22
Task 3020 of 4096 (2,1,3,2,0,12) R15-M1-N15-J22
Task 3021 of 4096 (2,1,3,2,0,13) R15-M1-N15-J22
Task 3022 of 4096 (2,1,3,2,0,14) R15-M1-N15-J22
Task 3023 of 4096 (2,1,3,2,0,15) R15-M1-N15-J22
Task 3024 of 4096 (2,1,3,2,1,0) R15-M1-N15-J17
Task 3025 of 4096 (2,1,3,2,1,1) R15-M1-N15-J17
Task 3026 of 4096 (2,1,3,2,1,2) R15-M1-N15-J17
Task 3027 of 4096 (2,1,3,2,1,3) R15-M1-N15-J17
Task 3028 of 4096 (2,1,3,2,1,4) R15-M1-N15-J17
Task 3029 of 4096 (2,1,3,2,1,5) R15-M1-N15-J17
Task 3030 of 4096 (2,1,3,2,1,6) R15-M1-N15-J17
Task 3031 of 4096 (2,1,3,2,1,7) R15-M1-N15-J17
Task 3032 of 4096 (2,1,3,2,1,8) R15-M1-N15-J17
Task 3033 of 4096 (2,1,3,2,1,9) R15-M1-N15-J17
Task 3034 of 4096 (2,1,3,2,1,10) R15-M1-N15-J17
Task 3035 of 4096 (2,1,3,2,1,11) R15-M1-N15-J17
Task 3036 of 4096 (2,1,3,2,1,12) R15-M1-N15-J17
Task 3037 of 4096 (2,1,3,2,1,13) R15-M1-N15-J17
Task 3038 of 4096 (2,1,3,2,1,14) R15-M1-N15-J17
Task 3039 of 4096 (2,1,3,2,1,15) R15-M1-N15-J17
Task 3040 of 4096 (2,1,3,3,0,0) R15-M1-N15-J26
Task 3041 of 4096 (2,1,3,3,0,1) R15-M1-N15-J26
Task 3042 of 4096 (2,1,3,3,0,2) R15-M1-N15-J26
Task 3043 of 4096 (2,1,3,3,0,3) R15-M1-N15-J26
Task 3044 of 4096 (2,1,3,3,0,4) R15-M1-N15-J26
Task 3045 of 4096 (2,1,3,3,0,5) R15-M1-N15-J26
Task 3046 of 4096 (2,1,3,3,0,6) R15-M1-N15-J26
Task 3047 of 4096 (2,1,3,3,0,7) R15-M1-N15-J26
Task 3048 of 4096 (2,1,3,3,0,8) R15-M1-N15-J26
Task 3049 of 4096 (2,1,3,3,0,9) R15-M1-N15-J26
Task 3050 of 4096 (2,1,3,3,0,10) R15-M1-N15-J26
Task 3051 of 4096 (2,1,3,3,0,11) R15-M1-N15-J26
Task 3052 of 4096 (2,1,3,3,0,12) R15-M1-N15-J26
Task 3053 of 4096 (2,1,3,3,0,13) R15-M1-N15-J26
Task 3054 of 4096 (2,1,3,3,0,14) R15-M1-N15-J26
Task 3055 of 4096 (2,1,3,3,0,15) R15-M1-N15-J26
Task 3056 of 4096 (2,1,3,3,1,0) R15-M1-N15-J29
Task 3057 of 4096 (2,1,3,3,1,1) R15-M1-N15-J29
Task 3058 of 4096 (2,1,3,3,1,2) R15-M1-N15-J29
Task 3059 of 4096 (2,1,3,3,1,3) R15-M1-N15-J29
Task 3060 of 4096 (2,1,3,3,1,4) R15-M1-N15-J29
Task 3061 of 4096 (2,1,3,3,1,5) R15-M1-N15-J29
Task 3062 of 4096 (2,1,3,3,1,6) R15-M1-N15-J29
Task 3063 of 4096 (2,1,3,3,1,7) R15-M1-N15-J29
Task 3064 of 4096 (2,1,3,3,1,8) R15-M1-N15-J29
Task 3065 of 4096 (2,1,3,3,1,9) R15-M1-N15-J29
Task 3066 of 4096 (2,1,3,3,1,10) R15-M1-N15-J29
Task 3067 of 4096 (2,1,3,3,1,11) R15-M1-N15-J29
Task 3068 of 4096 (2,1,3,3,1,12) R15-M1-N15-J29
Task 3069 of 4096 (2,1,3,3,1,13) R15-M1-N15-J29
Task 3070 of 4096 (2,1,3,3,1,14) R15-M1-N15-J29
Task 3071 of 4096 (2,1,3,3,1,15) R15-M1-N15-J29
Task 3072 of 4096 (3,0,0,0,0,0) R15-M1-N12-J04
Task 3073 of 4096 (3,0,0,0,0,1) R15-M1-N12-J04
Task 3074 of 4096 (3,0,0,0,0,2) R15-M1-N12-J04
Task 3075 of 4096 (3,0,0,0,0,3) R15-M1-N12-J04
Task 3076 of 4096 (3,0,0,0,0,4) R15-M1-N12-J04
Task 3077 of 4096 (3,0,0,0,0,5) R15-M1-N12-J04
Task 3078 of 4096 (3,0,0,0,0,6) R15-M1-N12-J04
Task 3079 of 4096 (3,0,0,0,0,7) R15-M1-N12-J04
Task 3080 of 4096 (3,0,0,0,0,8) R15-M1-N12-J04
Task 3081 of 4096 (3,0,0,0,0,9) R15-M1-N12-J04
Task 3082 of 4096 (3,0,0,0,0,10) R15-M1-N12-J04
Task 3083 of 4096 (3,0,0,0,0,11) R15-M1-N12-J04
Task 3084 of 4096 (3,0,0,0,0,12) R15-M1-N12-J04
Task 3085 of 4096 (3,0,0,0,0,13) R15-M1-N12-J04
Task 3086 of 4096 (3,0,0,0,0,14) R15-M1-N12-J04
Task 3087 of 4096 (3,0,0,0,0,15) R15-M1-N12-J04
Task 3088 of 4096 (3,0,0,0,1,0) R15-M1-N12-J03
Task 3089 of 4096 (3,0,0,0,1,1) R15-M1-N12-J03
Task 3090 of 4096 (3,0,0,0,1,2) R15-M1-N12-J03
Task 3091 of 4096 (3,0,0,0,1,3) R15-M1-N12-J03
Task 3092 of 4096 (3,0,0,0,1,4) R15-M1-N12-J03
Task 3093 of 4096 (3,0,0,0,1,5) R15-M1-N12-J03
Task 3094 of 4096 (3,0,0,0,1,6) R15-M1-N12-J03
Task 3095 of 4096 (3,0,0,0,1,7) R15-M1-N12-J03
Task 3096 of 4096 (3,0,0,0,1,8) R15-M1-N12-J03
Task 3097 of 4096 (3,0,0,0,1,9) R15-M1-N12-J03
Task 3098 of 4096 (3,0,0,0,1,10) R15-M1-N12-J03
Task 3099 of 4096 (3,0,0,0,1,11) R15-M1-N12-J03
Task 3100 of 4096 (3,0,0,0,1,12) R15-M1-N12-J03
Task 3101 of 4096 (3,0,0,0,1,13) R15-M1-N12-J03
Task 3102 of 4096 (3,0,0,0,1,14) R15-M1-N12-J03
Task 3103 of 4096 (3,0,0,0,1,15) R15-M1-N12-J03
Task 3104 of 4096 (3,0,0,1,0,0) R15-M1-N12-J08
Task 3105 of 4096 (3,0,0,1,0,1) R15-M1-N12-J08
Task 3106 of 4096 (3,0,0,1,0,2) R15-M1-N12-J08
Task 3107 of 4096 (3,0,0,1,0,3) R15-M1-N12-J08
Task 3108 of 4096 (3,0,0,1,0,4) R15-M1-N12-J08
Task 3109 of 4096 (3,0,0,1,0,5) R15-M1-N12-J08
Task 3110 of 4096 (3,0,0,1,0,6) R15-M1-N12-J08
Task 3111 of 4096 (3,0,0,1,0,7) R15-M1-N12-J08
Task 3112 of 4096 (3,0,0,1,0,8) R15-M1-N12-J08
Task 3113 of 4096 (3,0,0,1,0,9) R15-M1-N12-J08
Task 3114 of 4096 (3,0,0,1,0,10) R15-M1-N12-J08
Task 3115 of 4096 (3,0,0,1,0,11) R15-M1-N12-J08
Task 3116 of 4096 (3,0,0,1,0,12) R15-M1-N12-J08
Task 3117 of 4096 (3,0,0,1,0,13) R15-M1-N12-J08
Task 3118 of 4096 (3,0,0,1,0,14) R15-M1-N12-J08
Task 3119 of 4096 (3,0,0,1,0,15) R15-M1-N12-J08
Task 3120 of 4096 (3,0,0,1,1,0) R15-M1-N12-J15
Task 3121 of 4096 (3,0,0,1,1,1) R15-M1-N12-J15
Task 3122 of 4096 (3,0,0,1,1,2) R15-M1-N12-J15
Task 3123 of 4096 (3,0,0,1,1,3) R15-M1-N12-J15
Task 3124 of 4096 (3,0,0,1,1,4) R15-M1-N12-J15
Task 3125 of 4096 (3,0,0,1,1,5) R15-M1-N12-J15
Task 3126 of 4096 (3,0,0,1,1,6) R15-M1-N12-J15
Task 3127 of 4096 (3,0,0,1,1,7) R15-M1-N12-J15
Task 3128 of 4096 (3,0,0,1,1,8) R15-M1-N12-J15
Task 3129 of 4096 (3,0,0,1,1,9) R15-M1-N12-J15
Task 3130 of 4096 (3,0,0,1,1,10) R15-M1-N12-J15
Task 3131 of 4096 (3,0,0,1,1,11) R15-M1-N12-J15
Task 3132 of 4096 (3,0,0,1,1,12) R15-M1-N12-J15
Task 3133 of 4096 (3,0,0,1,1,13) R15-M1-N12-J15
Task 3134 of 4096 (3,0,0,1,1,14) R15-M1-N12-J15
Task 3135 of 4096 (3,0,0,1,1,15) R15-M1-N12-J15
Task 3136 of 4096 (3,0,0,2,0,0) R15-M1-N14-J08
Task 3137 of 4096 (3,0,0,2,0,1) R15-M1-N14-J08
Task 3138 of 4096 (3,0,0,2,0,2) R15-M1-N14-J08
Task 3139 of 4096 (3,0,0,2,0,3) R15-M1-N14-J08
Task 3140 of 4096 (3,0,0,2,0,4) R15-M1-N14-J08
Task 3141 of 4096 (3,0,0,2,0,5) R15-M1-N14-J08
Task 3142 of 4096 (3,0,0,2,0,6) R15-M1-N14-J08
Task 3143 of 4096 (3,0,0,2,0,7) R15-M1-N14-J08
Task 3144 of 4096 (3,0,0,2,0,8) R15-M1-N14-J08
Task 3145 of 4096 (3,0,0,2,0,9) R15-M1-N14-J08
Task 3146 of 4096 (3,0,0,2,0,10) R15-M1-N14-J08
Task 3147 of 4096 (3,0,0,2,0,11) R15-M1-N14-J08
Task 3148 of 4096 (3,0,0,2,0,12) R15-M1-N14-J08
Task 3149 of 4096 (3,0,0,2,0,13) R15-M1-N14-J08
Task 3150 of 4096 (3,0,0,2,0,14) R15-M1-N14-J08
Task 3151 of 4096 (3,0,0,2,0,15) R15-M1-N14-J08
Task 3152 of 4096 (3,0,0,2,1,0) R15-M1-N14-J15
Task 3153 of 4096 (3,0,0,2,1,1) R15-M1-N14-J15
Task 3154 of 4096 (3,0,0,2,1,2) R15-M1-N14-J15
Task 3155 of 4096 (3,0,0,2,1,3) R15-M1-N14-J15
Task 3156 of 4096 (3,0,0,2,1,4) R15-M1-N14-J15
Task 3157 of 4096 (3,0,0,2,1,5) R15-M1-N14-J15
Task 3158 of 4096 (3,0,0,2,1,6) R15-M1-N14-J15
Task 3159 of 4096 (3,0,0,2,1,7) R15-M1-N14-J15
Task 3160 of 4096 (3,0,0,2,1,8) R15-M1-N14-J15
Task 3161 of 4096 (3,0,0,2,1,9) R15-M1-N14-J15
Task 3162 of 4096 (3,0,0,2,1,10) R15-M1-N14-J15
Task 3163 of 4096 (3,0,0,2,1,11) R15-M1-N14-J15
Task 3164 of 4096 (3,0,0,2,1,12) R15-M1-N14-J15
Task 3165 of 4096 (3,0,0,2,1,13) R15-M1-N14-J15
Task 3166 of 4096 (3,0,0,2,1,14) R15-M1-N14-J15
Task 3167 of 4096 (3,0,0,2,1,15) R15-M1-N14-J15
Task 3168 of 4096 (3,0,0,3,0,0) R15-M1-N14-J04
Task 3169 of 4096 (3,0,0,3,0,1) R15-M1-N14-J04
Task 3170 of 4096 (3,0,0,3,0,2) R15-M1-N14-J04
Task 3171 of 4096 (3,0,0,3,0,3) R15-M1-N14-J04
Task 3172 of 4096 (3,0,0,3,0,4) R15-M1-N14-J04
Task 3173 of 4096 (3,0,0,3,0,5) R15-M1-N14-J04
Task 3174 of 4096 (3,0,0,3,0,6) R15-M1-N14-J04
Task 3175 of 4096 (3,0,0,3,0,7) R15-M1-N14-J04
Task 3176 of 4096 (3,0,0,3,0,8) R15-M1-N14-J04
Task 3177 of 4096 (3,0,0,3,0,9) R15-M1-N14-J04
Task 3178 of 4096 (3,0,0,3,0,10) R15-M1-N14-J04
Task 3179 of 4096 (3,0,0,3,0,11) R15-M1-N14-J04
Task 3180 of 4096 (3,0,0,3,0,12) R15-M1-N14-J04
Task 3181 of 4096 (3,0,0,3,0,13) R15-M1-N14-J04
Task 3182 of 4096 (3,0,0,3,0,14) R15-M1-N14-J04
Task 3183 of 4096 (3,0,0,3,0,15) R15-M1-N14-J04
Task 3184 of 4096 (3,0,0,3,1,0) R15-M1-N14-J03
Task 3185 of 4096 (3,0,0,3,1,1) R15-M1-N14-J03
Task 3186 of 4096 (3,0,0,3,1,2) R15-M1-N14-J03
Task 3187 of 4096 (3,0,0,3,1,3) R15-M1-N14-J03
Task 3188 of 4096 (3,0,0,3,1,4) R15-M1-N14-J03
Task 3189 of 4096 (3,0,0,3,1,5) R15-M1-N14-J03
Task 3190 of 4096 (3,0,0,3,1,6) R15-M1-N14-J03
Task 3191 of 4096 (3,0,0,3,1,7) R15-M1-N14-J03
Task 3192 of 4096 (3,0,0,3,1,8) R15-M1-N14-J03
Task 3193 of 4096 (3,0,0,3,1,9) R15-M1-N14-J03
Task 3194 of 4096 (3,0,0,3,1,10) R15-M1-N14-J03
Task 3195 of 4096 (3,0,0,3,1,11) R15-M1-N14-J03
Task 3196 of 4096 (3,0,0,3,1,12) R15-M1-N14-J03
Task 3197 of 4096 (3,0,0,3,1,13) R15-M1-N14-J03
Task 3198 of 4096 (3,0,0,3,1,14) R15-M1-N14-J03
Task 3199 of 4096 (3,0,0,3,1,15) R15-M1-N14-J03
Task 3200 of 4096 (3,0,1,0,0,0) R15-M1-N12-J05
Task 3201 of 4096 (3,0,1,0,0,1) R15-M1-N12-J05
Task 3202 of 4096 (3,0,1,0,0,2) R15-M1-N12-J05
Task 3203 of 4096 (3,0,1,0,0,3) R15-M1-N12-J05
Task 3204 of 4096 (3,0,1,0,0,4) R15-M1-N12-J05
Task 3205 of 4096 (3,0,1,0,0,5) R15-M1-N12-J05
Task 3206 of 4096 (3,0,1,0,0,6) R15-M1-N12-J05
Task 3207 of 4096 (3,0,1,0,0,7) R15-M1-N12-J05
Task 3208 of 4096 (3,0,1,0,0,8) R15-M1-N12-J05
Task 3209 of 4096 (3,0,1,0,0,9) R15-M1-N12-J05
Task 3210 of 4096 (3,0,1,0,0,10) R15-M1-N12-J05
Task 3211 of 4096 (3,0,1,0,0,11) R15-M1-N12-J05
Task 3212 of 4096 (3,0,1,0,0,12) R15-M1-N12-J05
Task 3213 of 4096 (3,0,1,0,0,13) R15-M1-N12-J05
Task 3214 of 4096 (3,0,1,0,0,14) R15-M1-N12-J05
Task 3215 of 4096 (3,0,1,0,0,15) R15-M1-N12-J05
Task 3216 of 4096 (3,0,1,0,1,0) R15-M1-N12-J02
Task 3217 of 4096 (3,0,1,0,1,1) R15-M1-N12-J02
Task 3218 of 4096 (3,0,1,0,1,2) R15-M1-N12-J02
Task 3219 of 4096 (3,0,1,0,1,3) R15-M1-N12-J02
Task 3220 of 4096 (3,0,1,0,1,4) R15-M1-N12-J02
Task 3221 of 4096 (3,0,1,0,1,5) R15-M1-N12-J02
Task 3222 of 4096 (3,0,1,0,1,6) R15-M1-N12-J02
Task 3223 of 4096 (3,0,1,0,1,7) R15-M1-N12-J02
Task 3224 of 4096 (3,0,1,0,1,8) R15-M1-N12-J02
Task 3225 of 4096 (3,0,1,0,1,9) R15-M1-N12-J02
Task 3226 of 4096 (3,0,1,0,1,10) R15-M1-N12-J02
Task 3227 of 4096 (3,0,1,0,1,11) R15-M1-N12-J02
Task 3228 of 4096 (3,0,1,0,1,12) R15-M1-N12-J02
Task 3229 of 4096 (3,0,1,0,1,13) R15-M1-N12-J02
Task 3230 of 4096 (3,0,1,0,1,14) R15-M1-N12-J02
Task 3231 of 4096 (3,0,1,0,1,15) R15-M1-N12-J02
Task 3232 of 4096 (3,0,1,1,0,0) R15-M1-N12-J09
Task 3233 of 4096 (3,0,1,1,0,1) R15-M1-N12-J09
Task 3234 of 4096 (3,0,1,1,0,2) R15-M1-N12-J09
Task 3235 of 4096 (3,0,1,1,0,3) R15-M1-N12-J09
Task 3236 of 4096 (3,0,1,1,0,4) R15-M1-N12-J09
Task 3237 of 4096 (3,0,1,1,0,5) R15-M1-N12-J09
Task 3238 of 4096 (3,0,1,1,0,6) R15-M1-N12-J09
Task 3239 of 4096 (3,0,1,1,0,7) R15-M1-N12-J09
Task 3240 of 4096 (3,0,1,1,0,8) R15-M1-N12-J09
Task 3241 of 4096 (3,0,1,1,0,9) R15-M1-N12-J09
Task 3242 of 4096 (3,0,1,1,0,10) R15-M1-N12-J09
Task 3243 of 4096 (3,0,1,1,0,11) R15-M1-N12-J09
Task 3244 of 4096 (3,0,1,1,0,12) R15-M1-N12-J09
Task 3245 of 4096 (3,0,1,1,0,13) R15-M1-N12-J09
Task 3246 of 4096 (3,0,1,1,0,14) R15-M1-N12-J09
Task 3247 of 4096 (3,0,1,1,0,15) R15-M1-N12-J09
Task 3248 of 4096 (3,0,1,1,1,0) R15-M1-N12-J14
Task 3249 of 4096 (3,0,1,1,1,1) R15-M1-N12-J14
Task 3250 of 4096 (3,0,1,1,1,2) R15-M1-N12-J14
Task 3251 of 4096 (3,0,1,1,1,3) R15-M1-N12-J14
Task 3252 of 4096 (3,0,1,1,1,4) R15-M1-N12-J14
Task 3253 of 4096 (3,0,1,1,1,5) R15-M1-N12-J14
Task 3254 of 4096 (3,0,1,1,1,6) R15-M1-N12-J14
Task 3255 of 4096 (3,0,1,1,1,7) R15-M1-N12-J14
Task 3256 of 4096 (3,0,1,1,1,8) R15-M1-N12-J14
Task 3257 of 4096 (3,0,1,1,1,9) R15-M1-N12-J14
Task 3258 of 4096 (3,0,1,1,1,10) R15-M1-N12-J14
Task 3259 of 4096 (3,0,1,1,1,11) R15-M1-N12-J14
Task 3260 of 4096 (3,0,1,1,1,12) R15-M1-N12-J14
Task 3261 of 4096 (3,0,1,1,1,13) R15-M1-N12-J14
Task 3262 of 4096 (3,0,1,1,1,14) R15-M1-N12-J14
Task 3263 of 4096 (3,0,1,1,1,15) R15-M1-N12-J14
Task 3264 of 4096 (3,0,1,2,0,0) R15-M1-N14-J09
Task 3265 of 4096 (3,0,1,2,0,1) R15-M1-N14-J09
Task 3266 of 4096 (3,0,1,2,0,2) R15-M1-N14-J09
Task 3267 of 4096 (3,0,1,2,0,3) R15-M1-N14-J09
Task 3268 of 4096 (3,0,1,2,0,4) R15-M1-N14-J09
Task 3269 of 4096 (3,0,1,2,0,5) R15-M1-N14-J09
Task 3270 of 4096 (3,0,1,2,0,6) R15-M1-N14-J09
Task 3271 of 4096 (3,0,1,2,0,7) R15-M1-N14-J09
Task 3272 of 4096 (3,0,1,2,0,8) R15-M1-N14-J09
Task 3273 of 4096 (3,0,1,2,0,9) R15-M1-N14-J09
Task 3274 of 4096 (3,0,1,2,0,10) R15-M1-N14-J09
Task 3275 of 4096 (3,0,1,2,0,11) R15-M1-N14-J09
Task 3276 of 4096 (3,0,1,2,0,12) R15-M1-N14-J09
Task 3277 of 4096 (3,0,1,2,0,13) R15-M1-N14-J09
Task 3278 of 4096 (3,0,1,2,0,14) R15-M1-N14-J09
Task 3279 of 4096 (3,0,1,2,0,15) R15-M1-N14-J09
Task 3280 of 4096 (3,0,1,2,1,0) R15-M1-N14-J14
Task 3281 of 4096 (3,0,1,2,1,1) R15-M1-N14-J14
Task 3282 of 4096 (3,0,1,2,1,2) R15-M1-N14-J14
Task 3283 of 4096 (3,0,1,2,1,3) R15-M1-N14-J14
Task 3284 of 4096 (3,0,1,2,1,4) R15-M1-N14-J14
Task 3285 of 4096 (3,0,1,2,1,5) R15-M1-N14-J14
Task 3286 of 4096 (3,0,1,2,1,6) R15-M1-N14-J14
Task 3287 of 4096 (3,0,1,2,1,7) R15-M1-N14-J14
Task 3288 of 4096 (3,0,1,2,1,8) R15-M1-N14-J14
Task 3289 of 4096 (3,0,1,2,1,9) R15-M1-N14-J14
Task 3290 of 4096 (3,0,1,2,1,10) R15-M1-N14-J14
Task 3291 of 4096 (3,0,1,2,1,11) R15-M1-N14-J14
Task 3292 of 4096 (3,0,1,2,1,12) R15-M1-N14-J14
Task 3293 of 4096 (3,0,1,2,1,13) R15-M1-N14-J14
Task 3294 of 4096 (3,0,1,2,1,14) R15-M1-N14-J14
Task 3295 of 4096 (3,0,1,2,1,15) R15-M1-N14-J14
Task 3296 of 4096 (3,0,1,3,0,0) R15-M1-N14-J05
Task 3297 of 4096 (3,0,1,3,0,1) R15-M1-N14-J05
Task 3298 of 4096 (3,0,1,3,0,2) R15-M1-N14-J05
Task 3299 of 4096 (3,0,1,3,0,3) R15-M1-N14-J05
Task 3300 of 4096 (3,0,1,3,0,4) R15-M1-N14-J05
Task 3301 of 4096 (3,0,1,3,0,5) R15-M1-N14-J05
Task 3302 of 4096 (3,0,1,3,0,6) R15-M1-N14-J05
Task 3303 of 4096 (3,0,1,3,0,7) R15-M1-N14-J05
Task 3304 of 4096 (3,0,1,3,0,8) R15-M1-N14-J05
Task 3305 of 4096 (3,0,1,3,0,9) R15-M1-N14-J05
Task 3306 of 4096 (3,0,1,3,0,10) R15-M1-N14-J05
Task 3307 of 4096 (3,0,1,3,0,11) R15-M1-N14-J05
Task 3308 of 4096 (3,0,1,3,0,12) R15-M1-N14-J05
Task 3309 of 4096 (3,0,1,3,0,13) R15-M1-N14-J05
Task 3310 of 4096 (3,0,1,3,0,14) R15-M1-N14-J05
Task 3311 of 4096 (3,0,1,3,0,15) R15-M1-N14-J05
Task 3312 of 4096 (3,0,1,3,1,0) R15-M1-N14-J02
Task 3313 of 4096 (3,0,1,3,1,1) R15-M1-N14-J02
Task 3314 of 4096 (3,0,1,3,1,2) R15-M1-N14-J02
Task 3315 of 4096 (3,0,1,3,1,3) R15-M1-N14-J02
Task 3316 of 4096 (3,0,1,3,1,4) R15-M1-N14-J02
Task 3317 of 4096 (3,0,1,3,1,5) R15-M1-N14-J02
Task 3318 of 4096 (3,0,1,3,1,6) R15-M1-N14-J02
Task 3319 of 4096 (3,0,1,3,1,7) R15-M1-N14-J02
Task 3320 of 4096 (3,0,1,3,1,8) R15-M1-N14-J02
Task 3321 of 4096 (3,0,1,3,1,9) R15-M1-N14-J02
Task 3322 of 4096 (3,0,1,3,1,10) R15-M1-N14-J02
Task 3323 of 4096 (3,0,1,3,1,11) R15-M1-N14-J02
Task 3324 of 4096 (3,0,1,3,1,12) R15-M1-N14-J02
Task 3325 of 4096 (3,0,1,3,1,13) R15-M1-N14-J02
Task 3326 of 4096 (3,0,1,3,1,14) R15-M1-N14-J02
Task 3327 of 4096 (3,0,1,3,1,15) R15-M1-N14-J02
Task 3328 of 4096 (3,0,2,0,0,0) R15-M1-N13-J05
Task 3329 of 4096 (3,0,2,0,0,1) R15-M1-N13-J05
Task 3330 of 4096 (3,0,2,0,0,2) R15-M1-N13-J05
Task 3331 of 4096 (3,0,2,0,0,3) R15-M1-N13-J05
Task 3332 of 4096 (3,0,2,0,0,4) R15-M1-N13-J05
Task 3333 of 4096 (3,0,2,0,0,5) R15-M1-N13-J05
Task 3334 of 4096 (3,0,2,0,0,6) R15-M1-N13-J05
Task 3335 of 4096 (3,0,2,0,0,7) R15-M1-N13-J05
Task 3336 of 4096 (3,0,2,0,0,8) R15-M1-N13-J05
Task 3337 of 4096 (3,0,2,0,0,9) R15-M1-N13-J05
Task 3338 of 4096 (3,0,2,0,0,10) R15-M1-N13-J05
Task 3339 of 4096 (3,0,2,0,0,11) R15-M1-N13-J05
Task 3340 of 4096 (3,0,2,0,0,12) R15-M1-N13-J05
Task 3341 of 4096 (3,0,2,0,0,13) R15-M1-N13-J05
Task 3342 of 4096 (3,0,2,0,0,14) R15-M1-N13-J05
Task 3343 of 4096 (3,0,2,0,0,15) R15-M1-N13-J05
Task 3344 of 4096 (3,0,2,0,1,0) R15-M1-N13-J02
Task 3345 of 4096 (3,0,2,0,1,1) R15-M1-N13-J02
Task 3346 of 4096 (3,0,2,0,1,2) R15-M1-N13-J02
Task 3347 of 4096 (3,0,2,0,1,3) R15-M1-N13-J02
Task 3348 of 4096 (3,0,2,0,1,4) R15-M1-N13-J02
Task 3349 of 4096 (3,0,2,0,1,5) R15-M1-N13-J02
Task 3350 of 4096 (3,0,2,0,1,6) R15-M1-N13-J02
Task 3351 of 4096 (3,0,2,0,1,7) R15-M1-N13-J02
Task 3352 of 4096 (3,0,2,0,1,8) R15-M1-N13-J02
Task 3353 of 4096 (3,0,2,0,1,9) R15-M1-N13-J02
Task 3354 of 4096 (3,0,2,0,1,10) R15-M1-N13-J02
Task 3355 of 4096 (3,0,2,0,1,11) R15-M1-N13-J02
Task 3356 of 4096 (3,0,2,0,1,12) R15-M1-N13-J02
Task 3357 of 4096 (3,0,2,0,1,13) R15-M1-N13-J02
Task 3358 of 4096 (3,0,2,0,1,14) R15-M1-N13-J02
Task 3359 of 4096 (3,0,2,0,1,15) R15-M1-N13-J02
Task 3360 of 4096 (3,0,2,1,0,0) R15-M1-N13-J09
Task 3361 of 4096 (3,0,2,1,0,1) R15-M1-N13-J09
Task 3362 of 4096 (3,0,2,1,0,2) R15-M1-N13-J09
Task 3363 of 4096 (3,0,2,1,0,3) R15-M1-N13-J09
Task 3364 of 4096 (3,0,2,1,0,4) R15-M1-N13-J09
Task 3365 of 4096 (3,0,2,1,0,5) R15-M1-N13-J09
Task 3366 of 4096 (3,0,2,1,0,6) R15-M1-N13-J09
Task 3367 of 4096 (3,0,2,1,0,7) R15-M1-N13-J09
Task 3368 of 4096 (3,0,2,1,0,8) R15-M1-N13-J09
Task 3369 of 4096 (3,0,2,1,0,9) R15-M1-N13-J09
Task 3370 of 4096 (3,0,2,1,0,10) R15-M1-N13-J09
Task 3371 of 4096 (3,0,2,1,0,11) R15-M1-N13-J09
Task 3372 of 4096 (3,0,2,1,0,12) R15-M1-N13-J09
Task 3373 of 4096 (3,0,2,1,0,13) R15-M1-N13-J09
Task 3374 of 4096 (3,0,2,1,0,14) R15-M1-N13-J09
Task 3375 of 4096 (3,0,2,1,0,15) R15-M1-N13-J09
Task 3376 of 4096 (3,0,2,1,1,0) R15-M1-N13-J14
Task 3377 of 4096 (3,0,2,1,1,1) R15-M1-N13-J14
Task 3378 of 4096 (3,0,2,1,1,2) R15-M1-N13-J14
Task 3379 of 4096 (3,0,2,1,1,3) R15-M1-N13-J14
Task 3380 of 4096 (3,0,2,1,1,4) R15-M1-N13-J14
Task 3381 of 4096 (3,0,2,1,1,5) R15-M1-N13-J14
Task 3382 of 4096 (3,0,2,1,1,6) R15-M1-N13-J14
Task 3383 of 4096 (3,0,2,1,1,7) R15-M1-N13-J14
Task 3384 of 4096 (3,0,2,1,1,8) R15-M1-N13-J14
Task 3385 of 4096 (3,0,2,1,1,9) R15-M1-N13-J14
Task 3386 of 4096 (3,0,2,1,1,10) R15-M1-N13-J14
Task 3387 of 4096 (3,0,2,1,1,11) R15-M1-N13-J14
Task 3388 of 4096 (3,0,2,1,1,12) R15-M1-N13-J14
Task 3389 of 4096 (3,0,2,1,1,13) R15-M1-N13-J14
Task 3390 of 4096 (3,0,2,1,1,14) R15-M1-N13-J14
Task 3391 of 4096 (3,0,2,1,1,15) R15-M1-N13-J14
Task 3392 of 4096 (3,0,2,2,0,0) R15-M1-N15-J09
Task 3393 of 4096 (3,0,2,2,0,1) R15-M1-N15-J09
Task 3394 of 4096 (3,0,2,2,0,2) R15-M1-N15-J09
Task 3395 of 4096 (3,0,2,2,0,3) R15-M1-N15-J09
Task 3396 of 4096 (3,0,2,2,0,4) R15-M1-N15-J09
Task 3397 of 4096 (3,0,2,2,0,5) R15-M1-N15-J09
Task 3398 of 4096 (3,0,2,2,0,6) R15-M1-N15-J09
Task 3399 of 4096 (3,0,2,2,0,7) R15-M1-N15-J09
Task 3400 of 4096 (3,0,2,2,0,8) R15-M1-N15-J09
Task 3401 of 4096 (3,0,2,2,0,9) R15-M1-N15-J09
Task 3402 of 4096 (3,0,2,2,0,10) R15-M1-N15-J09
Task 3403 of 4096 (3,0,2,2,0,11) R15-M1-N15-J09
Task 3404 of 4096 (3,0,2,2,0,12) R15-M1-N15-J09
Task 3405 of 4096 (3,0,2,2,0,13) R15-M1-N15-J09
Task 3406 of 4096 (3,0,2,2,0,14) R15-M1-N15-J09
Task 3407 of 4096 (3,0,2,2,0,15) R15-M1-N15-J09
Task 3408 of 4096 (3,0,2,2,1,0) R15-M1-N15-J14
Task 3409 of 4096 (3,0,2,2,1,1) R15-M1-N15-J14
Task 3410 of 4096 (3,0,2,2,1,2) R15-M1-N15-J14
Task 3411 of 4096 (3,0,2,2,1,3) R15-M1-N15-J14
Task 3412 of 4096 (3,0,2,2,1,4) R15-M1-N15-J14
Task 3413 of 4096 (3,0,2,2,1,5) R15-M1-N15-J14
Task 3414 of 4096 (3,0,2,2,1,6) R15-M1-N15-J14
Task 3415 of 4096 (3,0,2,2,1,7) R15-M1-N15-J14
Task 3416 of 4096 (3,0,2,2,1,8) R15-M1-N15-J14
Task 3417 of 4096 (3,0,2,2,1,9) R15-M1-N15-J14
Task 3418 of 4096 (3,0,2,2,1,10) R15-M1-N15-J14
Task 3419 of 4096 (3,0,2,2,1,11) R15-M1-N15-J14
Task 3420 of 4096 (3,0,2,2,1,12) R15-M1-N15-J14
Task 3421 of 4096 (3,0,2,2,1,13) R15-M1-N15-J14
Task 3422 of 4096 (3,0,2,2,1,14) R15-M1-N15-J14
Task 3423 of 4096 (3,0,2,2,1,15) R15-M1-N15-J14
Task 3424 of 4096 (3,0,2,3,0,0) R15-M1-N15-J05
Task 3425 of 4096 (3,0,2,3,0,1) R15-M1-N15-J05
Task 3426 of 4096 (3,0,2,3,0,2) R15-M1-N15-J05
Task 3427 of 4096 (3,0,2,3,0,3) R15-M1-N15-J05
Task 3428 of 4096 (3,0,2,3,0,4) R15-M1-N15-J05
Task 3429 of 4096 (3,0,2,3,0,5) R15-M1-N15-J05
Task 3430 of 4096 (3,0,2,3,0,6) R15-M1-N15-J05
Task 3431 of 4096 (3,0,2,3,0,7) R15-M1-N15-J05
Task 3432 of 4096 (3,0,2,3,0,8) R15-M1-N15-J05
Task 3433 of 4096 (3,0,2,3,0,9) R15-M1-N15-J05
Task 3434 of 4096 (3,0,2,3,0,10) R15-M1-N15-J05
Task 3435 of 4096 (3,0,2,3,0,11) R15-M1-N15-J05
Task 3436 of 4096 (3,0,2,3,0,12) R15-M1-N15-J05
Task 3437 of 4096 (3,0,2,3,0,13) R15-M1-N15-J05
Task 3438 of 4096 (3,0,2,3,0,14) R15-M1-N15-J05
Task 3439 of 4096 (3,0,2,3,0,15) R15-M1-N15-J05
Task 3440 of 4096 (3,0,2,3,1,0) R15-M1-N15-J02
Task 3441 of 4096 (3,0,2,3,1,1) R15-M1-N15-J02
Task 3442 of 4096 (3,0,2,3,1,2) R15-M1-N15-J02
Task 3443 of 4096 (3,0,2,3,1,3) R15-M1-N15-J02
Task 3444 of 4096 (3,0,2,3,1,4) R15-M1-N15-J02
Task 3445 of 4096 (3,0,2,3,1,5) R15-M1-N15-J02
Task 3446 of 4096 (3,0,2,3,1,6) R15-M1-N15-J02
Task 3447 of 4096 (3,0,2,3,1,7) R15-M1-N15-J02
Task 3448 of 4096 (3,0,2,3,1,8) R15-M1-N15-J02
Task 3449 of 4096 (3,0,2,3,1,9) R15-M1-N15-J02
Task 3450 of 4096 (3,0,2,3,1,10) R15-M1-N15-J02
Task 3451 of 4096 (3,0,2,3,1,11) R15-M1-N15-J02
Task 3452 of 4096 (3,0,2,3,1,12) R15-M1-N15-J02
Task 3453 of 4096 (3,0,2,3,1,13) R15-M1-N15-J02
Task 3454 of 4096 (3,0,2,3,1,14) R15-M1-N15-J02
Task 3455 of 4096 (3,0,2,3,1,15) R15-M1-N15-J02
Task 3456 of 4096 (3,0,3,0,0,0) R15-M1-N13-J04
Task 3457 of 4096 (3,0,3,0,0,1) R15-M1-N13-J04
Task 3458 of 4096 (3,0,3,0,0,2) R15-M1-N13-J04
Task 3459 of 4096 (3,0,3,0,0,3) R15-M1-N13-J04
Task 3460 of 4096 (3,0,3,0,0,4) R15-M1-N13-J04
Task 3461 of 4096 (3,0,3,0,0,5) R15-M1-N13-J04
Task 3462 of 4096 (3,0,3,0,0,6) R15-M1-N13-J04
Task 3463 of 4096 (3,0,3,0,0,7) R15-M1-N13-J04
Task 3464 of 4096 (3,0,3,0,0,8) R15-M1-N13-J04
Task 3465 of 4096 (3,0,3,0,0,9) R15-M1-N13-J04
Task 3466 of 4096 (3,0,3,0,0,10) R15-M1-N13-J04
Task 3467 of 4096 (3,0,3,0,0,11) R15-M1-N13-J04
Task 3468 of 4096 (3,0,3,0,0,12) R15-M1-N13-J04
Task 3469 of 4096 (3,0,3,0,0,13) R15-M1-N13-J04
Task 3470 of 4096 (3,0,3,0,0,14) R15-M1-N13-J04
Task 3471 of 4096 (3,0,3,0,0,15) R15-M1-N13-J04
Task 3472 of 4096 (3,0,3,0,1,0) R15-M1-N13-J03
Task 3473 of 4096 (3,0,3,0,1,1) R15-M1-N13-J03
Task 3474 of 4096 (3,0,3,0,1,2) R15-M1-N13-J03
Task 3475 of 4096 (3,0,3,0,1,3) R15-M1-N13-J03
Task 3476 of 4096 (3,0,3,0,1,4) R15-M1-N13-J03
Task 3477 of 4096 (3,0,3,0,1,5) R15-M1-N13-J03
Task 3478 of 4096 (3,0,3,0,1,6) R15-M1-N13-J03
Task 3479 of 4096 (3,0,3,0,1,7) R15-M1-N13-J03
Task 3480 of 4096 (3,0,3,0,1,8) R15-M1-N13-J03
Task 3481 of 4096 (3,0,3,0,1,9) R15-M1-N13-J03
Task 3482 of 4096 (3,0,3,0,1,10) R15-M1-N13-J03
Task 3483 of 4096 (3,0,3,0,1,11) R15-M1-N13-J03
Task 3484 of 4096 (3,0,3,0,1,12) R15-M1-N13-J03
Task 3485 of 4096 (3,0,3,0,1,13) R15-M1-N13-J03
Task 3486 of 4096 (3,0,3,0,1,14) R15-M1-N13-J03
Task 3487 of 4096 (3,0,3,0,1,15) R15-M1-N13-J03
Task 3488 of 4096 (3,0,3,1,0,0) R15-M1-N13-J08
Task 3489 of 4096 (3,0,3,1,0,1) R15-M1-N13-J08
Task 3490 of 4096 (3,0,3,1,0,2) R15-M1-N13-J08
Task 3491 of 4096 (3,0,3,1,0,3) R15-M1-N13-J08
Task 3492 of 4096 (3,0,3,1,0,4) R15-M1-N13-J08
Task 3493 of 4096 (3,0,3,1,0,5) R15-M1-N13-J08
Task 3494 of 4096 (3,0,3,1,0,6) R15-M1-N13-J08
Task 3495 of 4096 (3,0,3,1,0,7) R15-M1-N13-J08
Task 3496 of 4096 (3,0,3,1,0,8) R15-M1-N13-J08
Task 3497 of 4096 (3,0,3,1,0,9) R15-M1-N13-J08
Task 3498 of 4096 (3,0,3,1,0,10) R15-M1-N13-J08
Task 3499 of 4096 (3,0,3,1,0,11) R15-M1-N13-J08
Task 3500 of 4096 (3,0,3,1,0,12) R15-M1-N13-J08
Task 3501 of 4096 (3,0,3,1,0,13) R15-M1-N13-J08
Task 3502 of 4096 (3,0,3,1,0,14) R15-M1-N13-J08
Task 3503 of 4096 (3,0,3,1,0,15) R15-M1-N13-J08
Task 3504 of 4096 (3,0,3,1,1,0) R15-M1-N13-J15
Task 3505 of 4096 (3,0,3,1,1,1) R15-M1-N13-J15
Task 3506 of 4096 (3,0,3,1,1,2) R15-M1-N13-J15
Task 3507 of 4096 (3,0,3,1,1,3) R15-M1-N13-J15
Task 3508 of 4096 (3,0,3,1,1,4) R15-M1-N13-J15
Task 3509 of 4096 (3,0,3,1,1,5) R15-M1-N13-J15
Task 3510 of 4096 (3,0,3,1,1,6) R15-M1-N13-J15
Task 3511 of 4096 (3,0,3,1,1,7) R15-M1-N13-J15
Task 3512 of 4096 (3,0,3,1,1,8) R15-M1-N13-J15
Task 3513 of 4096 (3,0,3,1,1,9) R15-M1-N13-J15
Task 3514 of 4096 (3,0,3,1,1,10) R15-M1-N13-J15
Task 3515 of 4096 (3,0,3,1,1,11) R15-M1-N13-J15
Task 3516 of 4096 (3,0,3,1,1,12) R15-M1-N13-J15
Task 3517 of 4096 (3,0,3,1,1,13) R15-M1-N13-J15
Task 3518 of 4096 (3,0,3,1,1,14) R15-M1-N13-J15
Task 3519 of 4096 (3,0,3,1,1,15) R15-M1-N13-J15
Task 3520 of 4096 (3,0,3,2,0,0) R15-M1-N15-J08
Task 3521 of 4096 (3,0,3,2,0,1) R15-M1-N15-J08
Task 3522 of 4096 (3,0,3,2,0,2) R15-M1-N15-J08
Task 3523 of 4096 (3,0,3,2,0,3) R15-M1-N15-J08
Task 3524 of 4096 (3,0,3,2,0,4) R15-M1-N15-J08
Task 3525 of 4096 (3,0,3,2,0,5) R15-M1-N15-J08
Task 3526 of 4096 (3,0,3,2,0,6) R15-M1-N15-J08
Task 3527 of 4096 (3,0,3,2,0,7) R15-M1-N15-J08
Task 3528 of 4096 (3,0,3,2,0,8) R15-M1-N15-J08
Task 3529 of 4096 (3,0,3,2,0,9) R15-M1-N15-J08
Task 3530 of 4096 (3,0,3,2,0,10) R15-M1-N15-J08
Task 3531 of 4096 (3,0,3,2,0,11) R15-M1-N15-J08
Task 3532 of 4096 (3,0,3,2,0,12) R15-M1-N15-J08
Task 3533 of 4096 (3,0,3,2,0,13) R15-M1-N15-J08
Task 3534 of 4096 (3,0,3,2,0,14) R15-M1-N15-J08
Task 3535 of 4096 (3,0,3,2,0,15) R15-M1-N15-J08
Task 3536 of 4096 (3,0,3,2,1,0) R15-M1-N15-J15
Task 3537 of 4096 (3,0,3,2,1,1) R15-M1-N15-J15
Task 3538 of 4096 (3,0,3,2,1,2) R15-M1-N15-J15
Task 3539 of 4096 (3,0,3,2,1,3) R15-M1-N15-J15
Task 3540 of 4096 (3,0,3,2,1,4) R15-M1-N15-J15
Task 3541 of 4096 (3,0,3,2,1,5) R15-M1-N15-J15
Task 3542 of 4096 (3,0,3,2,1,6) R15-M1-N15-J15
Task 3543 of 4096 (3,0,3,2,1,7) R15-M1-N15-J15
Task 3544 of 4096 (3,0,3,2,1,8) R15-M1-N15-J15
Task 3545 of 4096 (3,0,3,2,1,9) R15-M1-N15-J15
Task 3546 of 4096 (3,0,3,2,1,10) R15-M1-N15-J15
Task 3547 of 4096 (3,0,3,2,1,11) R15-M1-N15-J15
Task 3548 of 4096 (3,0,3,2,1,12) R15-M1-N15-J15
Task 3549 of 4096 (3,0,3,2,1,13) R15-M1-N15-J15
Task 3550 of 4096 (3,0,3,2,1,14) R15-M1-N15-J15
Task 3551 of 4096 (3,0,3,2,1,15) R15-M1-N15-J15
Task 3552 of 4096 (3,0,3,3,0,0) R15-M1-N15-J04
Task 3553 of 4096 (3,0,3,3,0,1) R15-M1-N15-J04
Task 3554 of 4096 (3,0,3,3,0,2) R15-M1-N15-J04
Task 3555 of 4096 (3,0,3,3,0,3) R15-M1-N15-J04
Task 3556 of 4096 (3,0,3,3,0,4) R15-M1-N15-J04
Task 3557 of 4096 (3,0,3,3,0,5) R15-M1-N15-J04
Task 3558 of 4096 (3,0,3,3,0,6) R15-M1-N15-J04
Task 3559 of 4096 (3,0,3,3,0,7) R15-M1-N15-J04
Task 3560 of 4096 (3,0,3,3,0,8) R15-M1-N15-J04
Task 3561 of 4096 (3,0,3,3,0,9) R15-M1-N15-J04
Task 3562 of 4096 (3,0,3,3,0,10) R15-M1-N15-J04
Task 3563 of 4096 (3,0,3,3,0,11) R15-M1-N15-J04
Task 3564 of 4096 (3,0,3,3,0,12) R15-M1-N15-J04
Task 3565 of 4096 (3,0,3,3,0,13) R15-M1-N15-J04
Task 3566 of 4096 (3,0,3,3,0,14) R15-M1-N15-J04
Task 3567 of 4096 (3,0,3,3,0,15) R15-M1-N15-J04
Task 3568 of 4096 (3,0,3,3,1,0) R15-M1-N15-J03
Task 3569 of 4096 (3,0,3,3,1,1) R15-M1-N15-J03
Task 3570 of 4096 (3,0,3,3,1,2) R15-M1-N15-J03
Task 3571 of 4096 (3,0,3,3,1,3) R15-M1-N15-J03
Task 3572 of 4096 (3,0,3,3,1,4) R15-M1-N15-J03
Task 3573 of 4096 (3,0,3,3,1,5) R15-M1-N15-J03
Task 3574 of 4096 (3,0,3,3,1,6) R15-M1-N15-J03
Task 3575 of 4096 (3,0,3,3,1,7) R15-M1-N15-J03
Task 3576 of 4096 (3,0,3,3,1,8) R15-M1-N15-J03
Task 3577 of 4096 (3,0,3,3,1,9) R15-M1-N15-J03
Task 3578 of 4096 (3,0,3,3,1,10) R15-M1-N15-J03
Task 3579 of 4096 (3,0,3,3,1,11) R15-M1-N15-J03
Task 3580 of 4096 (3,0,3,3,1,12) R15-M1-N15-J03
Task 3581 of 4096 (3,0,3,3,1,13) R15-M1-N15-J03
Task 3582 of 4096 (3,0,3,3,1,14) R15-M1-N15-J03
Task 3583 of 4096 (3,0,3,3,1,15) R15-M1-N15-J03
Task 3584 of 4096 (3,1,0,0,0,0) R15-M1-N12-J07
Task 3585 of 4096 (3,1,0,0,0,1) R15-M1-N12-J07
Task 3586 of 4096 (3,1,0,0,0,2) R15-M1-N12-J07
Task 3587 of 4096 (3,1,0,0,0,3) R15-M1-N12-J07
Task 3588 of 4096 (3,1,0,0,0,4) R15-M1-N12-J07
Task 3589 of 4096 (3,1,0,0,0,5) R15-M1-N12-J07
Task 3590 of 4096 (3,1,0,0,0,6) R15-M1-N12-J07
Task 3591 of 4096 (3,1,0,0,0,7) R15-M1-N12-J07
Task 3592 of 4096 (3,1,0,0,0,8) R15-M1-N12-J07
Task 3593 of 4096 (3,1,0,0,0,9) R15-M1-N12-J07
Task 3594 of 4096 (3,1,0,0,0,10) R15-M1-N12-J07
Task 3595 of 4096 (3,1,0,0,0,11) R15-M1-N12-J07
Task 3596 of 4096 (3,1,0,0,0,12) R15-M1-N12-J07
Task 3597 of 4096 (3,1,0,0,0,13) R15-M1-N12-J07
Task 3598 of 4096 (3,1,0,0,0,14) R15-M1-N12-J07
Task 3599 of 4096 (3,1,0,0,0,15) R15-M1-N12-J07
Task 3600 of 4096 (3,1,0,0,1,0) R15-M1-N12-J00
Task 3601 of 4096 (3,1,0,0,1,1) R15-M1-N12-J00
Task 3602 of 4096 (3,1,0,0,1,2) R15-M1-N12-J00
Task 3603 of 4096 (3,1,0,0,1,3) R15-M1-N12-J00
Task 3604 of 4096 (3,1,0,0,1,4) R15-M1-N12-J00
Task 3605 of 4096 (3,1,0,0,1,5) R15-M1-N12-J00
Task 3606 of 4096 (3,1,0,0,1,6) R15-M1-N12-J00
Task 3607 of 4096 (3,1,0,0,1,7) R15-M1-N12-J00
Task 3608 of 4096 (3,1,0,0,1,8) R15-M1-N12-J00
Task 3609 of 4096 (3,1,0,0,1,9) R15-M1-N12-J00
Task 3610 of 4096 (3,1,0,0,1,10) R15-M1-N12-J00
Task 3611 of 4096 (3,1,0,0,1,11) R15-M1-N12-J00
Task 3612 of 4096 (3,1,0,0,1,12) R15-M1-N12-J00
Task 3613 of 4096 (3,1,0,0,1,13) R15-M1-N12-J00
Task 3614 of 4096 (3,1,0,0,1,14) R15-M1-N12-J00
Task 3615 of 4096 (3,1,0,0,1,15) R15-M1-N12-J00
Task 3616 of 4096 (3,1,0,1,0,0) R15-M1-N12-J11
Task 3617 of 4096 (3,1,0,1,0,1) R15-M1-N12-J11
Task 3618 of 4096 (3,1,0,1,0,2) R15-M1-N12-J11
Task 3619 of 4096 (3,1,0,1,0,3) R15-M1-N12-J11
Task 3620 of 4096 (3,1,0,1,0,4) R15-M1-N12-J11
Task 3621 of 4096 (3,1,0,1,0,5) R15-M1-N12-J11
Task 3622 of 4096 (3,1,0,1,0,6) R15-M1-N12-J11
Task 3623 of 4096 (3,1,0,1,0,7) R15-M1-N12-J11
Task 3624 of 4096 (3,1,0,1,0,8) R15-M1-N12-J11
Task 3625 of 4096 (3,1,0,1,0,9) R15-M1-N12-J11
Task 3626 of 4096 (3,1,0,1,0,10) R15-M1-N12-J11
Task 3627 of 4096 (3,1,0,1,0,11) R15-M1-N12-J11
Task 3628 of 4096 (3,1,0,1,0,12) R15-M1-N12-J11
Task 3629 of 4096 (3,1,0,1,0,13) R15-M1-N12-J11
Task 3630 of 4096 (3,1,0,1,0,14) R15-M1-N12-J11
Task 3631 of 4096 (3,1,0,1,0,15) R15-M1-N12-J11
Task 3632 of 4096 (3,1,0,1,1,0) R15-M1-N12-J12
Task 3633 of 4096 (3,1,0,1,1,1) R15-M1-N12-J12
Task 3634 of 4096 (3,1,0,1,1,2) R15-M1-N12-J12
Task 3635 of 4096 (3,1,0,1,1,3) R15-M1-N12-J12
Task 3636 of 4096 (3,1,0,1,1,4) R15-M1-N12-J12
Task 3637 of 4096 (3,1,0,1,1,5) R15-M1-N12-J12
Task 3638 of 4096 (3,1,0,1,1,6) R15-M1-N12-J12
Task 3639 of 4096 (3,1,0,1,1,7) R15-M1-N12-J12
Task 3640 of 4096 (3,1,0,1,1,8) R15-M1-N12-J12
Task 3641 of 4096 (3,1,0,1,1,9) R15-M1-N12-J12
Task 3642 of 4096 (3,1,0,1,1,10) R15-M1-N12-J12
Task 3643 of 4096 (3,1,0,1,1,11) R15-M1-N12-J12
Task 3644 of 4096 (3,1,0,1,1,12) R15-M1-N12-J12
Task 3645 of 4096 (3,1,0,1,1,13) R15-M1-N12-J12
Task 3646 of 4096 (3,1,0,1,1,14) R15-M1-N12-J12
Task 3647 of 4096 (3,1,0,1,1,15) R15-M1-N12-J12
Task 3648 of 4096 (3,1,0,2,0,0) R15-M1-N14-J11
Task 3649 of 4096 (3,1,0,2,0,1) R15-M1-N14-J11
Task 3650 of 4096 (3,1,0,2,0,2) R15-M1-N14-J11
Task 3651 of 4096 (3,1,0,2,0,3) R15-M1-N14-J11
Task 3652 of 4096 (3,1,0,2,0,4) R15-M1-N14-J11
Task 3653 of 4096 (3,1,0,2,0,5) R15-M1-N14-J11
Task 3654 of 4096 (3,1,0,2,0,6) R15-M1-N14-J11
Task 3655 of 4096 (3,1,0,2,0,7) R15-M1-N14-J11
Task 3656 of 4096 (3,1,0,2,0,8) R15-M1-N14-J11
Task 3657 of 4096 (3,1,0,2,0,9) R15-M1-N14-J11
Task 3658 of 4096 (3,1,0,2,0,10) R15-M1-N14-J11
Task 3659 of 4096 (3,1,0,2,0,11) R15-M1-N14-J11
Task 3660 of 4096 (3,1,0,2,0,12) R15-M1-N14-J11
Task 3661 of 4096 (3,1,0,2,0,13) R15-M1-N14-J11
Task 3662 of 4096 (3,1,0,2,0,14) R15-M1-N14-J11
Task 3663 of 4096 (3,1,0,2,0,15) R15-M1-N14-J11
Task 3664 of 4096 (3,1,0,2,1,0) R15-M1-N14-J12
Task 3665 of 4096 (3,1,0,2,1,1) R15-M1-N14-J12
Task 3666 of 4096 (3,1,0,2,1,2) R15-M1-N14-J12
Task 3667 of 4096 (3,1,0,2,1,3) R15-M1-N14-J12
Task 3668 of 4096 (3,1,0,2,1,4) R15-M1-N14-J12
Task 3669 of 4096 (3,1,0,2,1,5) R15-M1-N14-J12
Task 3670 of 4096 (3,1,0,2,1,6) R15-M1-N14-J12
Task 3671 of 4096 (3,1,0,2,1,7) R15-M1-N14-J12
Task 3672 of 4096 (3,1,0,2,1,8) R15-M1-N14-J12
Task 3673 of 4096 (3,1,0,2,1,9) R15-M1-N14-J12
Task 3674 of 4096 (3,1,0,2,1,10) R15-M1-N14-J12
Task 3675 of 4096 (3,1,0,2,1,11) R15-M1-N14-J12
Task 3676 of 4096 (3,1,0,2,1,12) R15-M1-N14-J12
Task 3677 of 4096 (3,1,0,2,1,13) R15-M1-N14-J12
Task 3678 of 4096 (3,1,0,2,1,14) R15-M1-N14-J12
Task 3679 of 4096 (3,1,0,2,1,15) R15-M1-N14-J12
Task 3680 of 4096 (3,1,0,3,0,0) R15-M1-N14-J07
Task 3681 of 4096 (3,1,0,3,0,1) R15-M1-N14-J07
Task 3682 of 4096 (3,1,0,3,0,2) R15-M1-N14-J07
Task 3683 of 4096 (3,1,0,3,0,3) R15-M1-N14-J07
Task 3684 of 4096 (3,1,0,3,0,4) R15-M1-N14-J07
Task 3685 of 4096 (3,1,0,3,0,5) R15-M1-N14-J07
Task 3686 of 4096 (3,1,0,3,0,6) R15-M1-N14-J07
Task 3687 of 4096 (3,1,0,3,0,7) R15-M1-N14-J07
Task 3688 of 4096 (3,1,0,3,0,8) R15-M1-N14-J07
Task 3689 of 4096 (3,1,0,3,0,9) R15-M1-N14-J07
Task 3690 of 4096 (3,1,0,3,0,10) R15-M1-N14-J07
Task 3691 of 4096 (3,1,0,3,0,11) R15-M1-N14-J07
Task 3692 of 4096 (3,1,0,3,0,12) R15-M1-N14-J07
Task 3693 of 4096 (3,1,0,3,0,13) R15-M1-N14-J07
Task 3694 of 4096 (3,1,0,3,0,14) R15-M1-N14-J07
Task 3695 of 4096 (3,1,0,3,0,15) R15-M1-N14-J07
Task 3696 of 4096 (3,1,0,3,1,0) R15-M1-N14-J00
Task 3697 of 4096 (3,1,0,3,1,1) R15-M1-N14-J00
Task 3698 of 4096 (3,1,0,3,1,2) R15-M1-N14-J00
Task 3699 of 4096 (3,1,0,3,1,3) R15-M1-N14-J00
Task 3700 of 4096 (3,1,0,3,1,4) R15-M1-N14-J00
Task 3701 of 4096 (3,1,0,3,1,5) R15-M1-N14-J00
Task 3702 of 4096 (3,1,0,3,1,6) R15-M1-N14-J00
Task 3703 of 4096 (3,1,0,3,1,7) R15-M1-N14-J00
Task 3704 of 4096 (3,1,0,3,1,8) R15-M1-N14-J00
Task 3705 of 4096 (3,1,0,3,1,9) R15-M1-N14-J00
Task 3706 of 4096 (3,1,0,3,1,10) R15-M1-N14-J00
Task 3707 of 4096 (3,1,0,3,1,11) R15-M1-N14-J00
Task 3708 of 4096 (3,1,0,3,1,12) R15-M1-N14-J00
Task 3709 of 4096 (3,1,0,3,1,13) R15-M1-N14-J00
Task 3710 of 4096 (3,1,0,3,1,14) R15-M1-N14-J00
Task 3711 of 4096 (3,1,0,3,1,15) R15-M1-N14-J00
Task 3712 of 4096 (3,1,1,0,0,0) R15-M1-N12-J06
Task 3713 of 4096 (3,1,1,0,0,1) R15-M1-N12-J06
Task 3714 of 4096 (3,1,1,0,0,2) R15-M1-N12-J06
Task 3715 of 4096 (3,1,1,0,0,3) R15-M1-N12-J06
Task 3716 of 4096 (3,1,1,0,0,4) R15-M1-N12-J06
Task 3717 of 4096 (3,1,1,0,0,5) R15-M1-N12-J06
Task 3718 of 4096 (3,1,1,0,0,6) R15-M1-N12-J06
Task 3719 of 4096 (3,1,1,0,0,7) R15-M1-N12-J06
Task 3720 of 4096 (3,1,1,0,0,8) R15-M1-N12-J06
Task 3721 of 4096 (3,1,1,0,0,9) R15-M1-N12-J06
Task 3722 of 4096 (3,1,1,0,0,10) R15-M1-N12-J06
Task 3723 of 4096 (3,1,1,0,0,11) R15-M1-N12-J06
Task 3724 of 4096 (3,1,1,0,0,12) R15-M1-N12-J06
Task 3725 of 4096 (3,1,1,0,0,13) R15-M1-N12-J06
Task 3726 of 4096 (3,1,1,0,0,14) R15-M1-N12-J06
Task 3727 of 4096 (3,1,1,0,0,15) R15-M1-N12-J06
Task 3728 of 4096 (3,1,1,0,1,0) R15-M1-N12-J01
Task 3729 of 4096 (3,1,1,0,1,1) R15-M1-N12-J01
Task 3730 of 4096 (3,1,1,0,1,2) R15-M1-N12-J01
Task 3731 of 4096 (3,1,1,0,1,3) R15-M1-N12-J01
Task 3732 of 4096 (3,1,1,0,1,4) R15-M1-N12-J01
Task 3733 of 4096 (3,1,1,0,1,5) R15-M1-N12-J01
Task 3734 of 4096 (3,1,1,0,1,6) R15-M1-N12-J01
Task 3735 of 4096 (3,1,1,0,1,7) R15-M1-N12-J01
Task 3736 of 4096 (3,1,1,0,1,8) R15-M1-N12-J01
Task 3737 of 4096 (3,1,1,0,1,9) R15-M1-N12-J01
Task 3738 of 4096 (3,1,1,0,1,10) R15-M1-N12-J01
Task 3739 of 4096 (3,1,1,0,1,11) R15-M1-N12-J01
Task 3740 of 4096 (3,1,1,0,1,12) R15-M1-N12-J01
Task 3741 of 4096 (3,1,1,0,1,13) R15-M1-N12-J01
Task 3742 of 4096 (3,1,1,0,1,14) R15-M1-N12-J01
Task 3743 of 4096 (3,1,1,0,1,15) R15-M1-N12-J01
Task 3744 of 4096 (3,1,1,1,0,0) R15-M1-N12-J10
Task 3745 of 4096 (3,1,1,1,0,1) R15-M1-N12-J10
Task 3746 of 4096 (3,1,1,1,0,2) R15-M1-N12-J10
Task 3747 of 4096 (3,1,1,1,0,3) R15-M1-N12-J10
Task 3748 of 4096 (3,1,1,1,0,4) R15-M1-N12-J10
Task 3749 of 4096 (3,1,1,1,0,5) R15-M1-N12-J10
Task 3750 of 4096 (3,1,1,1,0,6) R15-M1-N12-J10
Task 3751 of 4096 (3,1,1,1,0,7) R15-M1-N12-J10
Task 3752 of 4096 (3,1,1,1,0,8) R15-M1-N12-J10
Task 3753 of 4096 (3,1,1,1,0,9) R15-M1-N12-J10
Task 3754 of 4096 (3,1,1,1,0,10) R15-M1-N12-J10
Task 3755 of 4096 (3,1,1,1,0,11) R15-M1-N12-J10
Task 3756 of 4096 (3,1,1,1,0,12) R15-M1-N12-J10
Task 3757 of 4096 (3,1,1,1,0,13) R15-M1-N12-J10
Task 3758 of 4096 (3,1,1,1,0,14) R15-M1-N12-J10
Task 3759 of 4096 (3,1,1,1,0,15) R15-M1-N12-J10
Task 3760 of 4096 (3,1,1,1,1,0) R15-M1-N12-J13
Task 3761 of 4096 (3,1,1,1,1,1) R15-M1-N12-J13
Task 3762 of 4096 (3,1,1,1,1,2) R15-M1-N12-J13
Task 3763 of 4096 (3,1,1,1,1,3) R15-M1-N12-J13
Task 3764 of 4096 (3,1,1,1,1,4) R15-M1-N12-J13
Task 3765 of 4096 (3,1,1,1,1,5) R15-M1-N12-J13
Task 3766 of 4096 (3,1,1,1,1,6) R15-M1-N12-J13
Task 3767 of 4096 (3,1,1,1,1,7) R15-M1-N12-J13
Task 3768 of 4096 (3,1,1,1,1,8) R15-M1-N12-J13
Task 3769 of 4096 (3,1,1,1,1,9) R15-M1-N12-J13
Task 3770 of 4096 (3,1,1,1,1,10) R15-M1-N12-J13
Task 3771 of 4096 (3,1,1,1,1,11) R15-M1-N12-J13
Task 3772 of 4096 (3,1,1,1,1,12) R15-M1-N12-J13
Task 3773 of 4096 (3,1,1,1,1,13) R15-M1-N12-J13
Task 3774 of 4096 (3,1,1,1,1,14) R15-M1-N12-J13
Task 3775 of 4096 (3,1,1,1,1,15) R15-M1-N12-J13
Task 3776 of 4096 (3,1,1,2,0,0) R15-M1-N14-J10
Task 3777 of 4096 (3,1,1,2,0,1) R15-M1-N14-J10
Task 3778 of 4096 (3,1,1,2,0,2) R15-M1-N14-J10
Task 3779 of 4096 (3,1,1,2,0,3) R15-M1-N14-J10
Task 3780 of 4096 (3,1,1,2,0,4) R15-M1-N14-J10
Task 3781 of 4096 (3,1,1,2,0,5) R15-M1-N14-J10
Task 3782 of 4096 (3,1,1,2,0,6) R15-M1-N14-J10
Task 3783 of 4096 (3,1,1,2,0,7) R15-M1-N14-J10
Task 3784 of 4096 (3,1,1,2,0,8) R15-M1-N14-J10
Task 3785 of 4096 (3,1,1,2,0,9) R15-M1-N14-J10
Task 3786 of 4096 (3,1,1,2,0,10) R15-M1-N14-J10
Task 3787 of 4096 (3,1,1,2,0,11) R15-M1-N14-J10
Task 3788 of 4096 (3,1,1,2,0,12) R15-M1-N14-J10
Task 3789 of 4096 (3,1,1,2,0,13) R15-M1-N14-J10
Task 3790 of 4096 (3,1,1,2,0,14) R15-M1-N14-J10
Task 3791 of 4096 (3,1,1,2,0,15) R15-M1-N14-J10
Task 3792 of 4096 (3,1,1,2,1,0) R15-M1-N14-J13
Task 3793 of 4096 (3,1,1,2,1,1) R15-M1-N14-J13
Task 3794 of 4096 (3,1,1,2,1,2) R15-M1-N14-J13
Task 3795 of 4096 (3,1,1,2,1,3) R15-M1-N14-J13
Task 3796 of 4096 (3,1,1,2,1,4) R15-M1-N14-J13
Task 3797 of 4096 (3,1,1,2,1,5) R15-M1-N14-J13
Task 3798 of 4096 (3,1,1,2,1,6) R15-M1-N14-J13
Task 3799 of 4096 (3,1,1,2,1,7) R15-M1-N14-J13
Task 3800 of 4096 (3,1,1,2,1,8) R15-M1-N14-J13
Task 3801 of 4096 (3,1,1,2,1,9) R15-M1-N14-J13
Task 3802 of 4096 (3,1,1,2,1,10) R15-M1-N14-J13
Task 3803 of 4096 (3,1,1,2,1,11) R15-M1-N14-J13
Task 3804 of 4096 (3,1,1,2,1,12) R15-M1-N14-J13
Task 3805 of 4096 (3,1,1,2,1,13) R15-M1-N14-J13
Task 3806 of 4096 (3,1,1,2,1,14) R15-M1-N14-J13
Task 3807 of 4096 (3,1,1,2,1,15) R15-M1-N14-J13
Task 3808 of 4096 (3,1,1,3,0,0) R15-M1-N14-J06
Task 3809 of 4096 (3,1,1,3,0,1) R15-M1-N14-J06
Task 3810 of 4096 (3,1,1,3,0,2) R15-M1-N14-J06
Task 3811 of 4096 (3,1,1,3,0,3) R15-M1-N14-J06
Task 3812 of 4096 (3,1,1,3,0,4) R15-M1-N14-J06
Task 3813 of 4096 (3,1,1,3,0,5) R15-M1-N14-J06
Task 3814 of 4096 (3,1,1,3,0,6) R15-M1-N14-J06
Task 3815 of 4096 (3,1,1,3,0,7) R15-M1-N14-J06
Task 3816 of 4096 (3,1,1,3,0,8) R15-M1-N14-J06
Task 3817 of 4096 (3,1,1,3,0,9) R15-M1-N14-J06
Task 3818 of 4096 (3,1,1,3,0,10) R15-M1-N14-J06
Task 3819 of 4096 (3,1,1,3,0,11) R15-M1-N14-J06
Task 3820 of 4096 (3,1,1,3,0,12) R15-M1-N14-J06
Task 3821 of 4096 (3,1,1,3,0,13) R15-M1-N14-J06
Task 3822 of 4096 (3,1,1,3,0,14) R15-M1-N14-J06
Task 3823 of 4096 (3,1,1,3,0,15) R15-M1-N14-J06
Task 3824 of 4096 (3,1,1,3,1,0) R15-M1-N14-J01
Task 3825 of 4096 (3,1,1,3,1,1) R15-M1-N14-J01
Task 3826 of 4096 (3,1,1,3,1,2) R15-M1-N14-J01
Task 3827 of 4096 (3,1,1,3,1,3) R15-M1-N14-J01
Task 3828 of 4096 (3,1,1,3,1,4) R15-M1-N14-J01
Task 3829 of 4096 (3,1,1,3,1,5) R15-M1-N14-J01
Task 3830 of 4096 (3,1,1,3,1,6) R15-M1-N14-J01
Task 3831 of 4096 (3,1,1,3,1,7) R15-M1-N14-J01
Task 3832 of 4096 (3,1,1,3,1,8) R15-M1-N14-J01
Task 3833 of 4096 (3,1,1,3,1,9) R15-M1-N14-J01
Task 3834 of 4096 (3,1,1,3,1,10) R15-M1-N14-J01
Task 3835 of 4096 (3,1,1,3,1,11) R15-M1-N14-J01
Task 3836 of 4096 (3,1,1,3,1,12) R15-M1-N14-J01
Task 3837 of 4096 (3,1,1,3,1,13) R15-M1-N14-J01
Task 3838 of 4096 (3,1,1,3,1,14) R15-M1-N14-J01
Task 3839 of 4096 (3,1,1,3,1,15) R15-M1-N14-J01
Task 3840 of 4096 (3,1,2,0,0,0) R15-M1-N13-J06
Task 3841 of 4096 (3,1,2,0,0,1) R15-M1-N13-J06
Task 3842 of 4096 (3,1,2,0,0,2) R15-M1-N13-J06
Task 3843 of 4096 (3,1,2,0,0,3) R15-M1-N13-J06
Task 3844 of 4096 (3,1,2,0,0,4) R15-M1-N13-J06
Task 3845 of 4096 (3,1,2,0,0,5) R15-M1-N13-J06
Task 3846 of 4096 (3,1,2,0,0,6) R15-M1-N13-J06
Task 3847 of 4096 (3,1,2,0,0,7) R15-M1-N13-J06
Task 3848 of 4096 (3,1,2,0,0,8) R15-M1-N13-J06
Task 3849 of 4096 (3,1,2,0,0,9) R15-M1-N13-J06
Task 3850 of 4096 (3,1,2,0,0,10) R15-M1-N13-J06
Task 3851 of 4096 (3,1,2,0,0,11) R15-M1-N13-J06
Task 3852 of 4096 (3,1,2,0,0,12) R15-M1-N13-J06
Task 3853 of 4096 (3,1,2,0,0,13) R15-M1-N13-J06
Task 3854 of 4096 (3,1,2,0,0,14) R15-M1-N13-J06
Task 3855 of 4096 (3,1,2,0,0,15) R15-M1-N13-J06
Task 3856 of 4096 (3,1,2,0,1,0) R15-M1-N13-J01
Task 3857 of 4096 (3,1,2,0,1,1) R15-M1-N13-J01
Task 3858 of 4096 (3,1,2,0,1,2) R15-M1-N13-J01
Task 3859 of 4096 (3,1,2,0,1,3) R15-M1-N13-J01
Task 3860 of 4096 (3,1,2,0,1,4) R15-M1-N13-J01
Task 3861 of 4096 (3,1,2,0,1,5) R15-M1-N13-J01
Task 3862 of 4096 (3,1,2,0,1,6) R15-M1-N13-J01
Task 3863 of 4096 (3,1,2,0,1,7) R15-M1-N13-J01
Task 3864 of 4096 (3,1,2,0,1,8) R15-M1-N13-J01
Task 3865 of 4096 (3,1,2,0,1,9) R15-M1-N13-J01
Task 3866 of 4096 (3,1,2,0,1,10) R15-M1-N13-J01
Task 3867 of 4096 (3,1,2,0,1,11) R15-M1-N13-J01
Task 3868 of 4096 (3,1,2,0,1,12) R15-M1-N13-J01
Task 3869 of 4096 (3,1,2,0,1,13) R15-M1-N13-J01
Task 3870 of 4096 (3,1,2,0,1,14) R15-M1-N13-J01
Task 3871 of 4096 (3,1,2,0,1,15) R15-M1-N13-J01
Task 3872 of 4096 (3,1,2,1,0,0) R15-M1-N13-J10
Task 3873 of 4096 (3,1,2,1,0,1) R15-M1-N13-J10
Task 3874 of 4096 (3,1,2,1,0,2) R15-M1-N13-J10
Task 3875 of 4096 (3,1,2,1,0,3) R15-M1-N13-J10
Task 3876 of 4096 (3,1,2,1,0,4) R15-M1-N13-J10
Task 3877 of 4096 (3,1,2,1,0,5) R15-M1-N13-J10
Task 3878 of 4096 (3,1,2,1,0,6) R15-M1-N13-J10
Task 3879 of 4096 (3,1,2,1,0,7) R15-M1-N13-J10
Task 3880 of 4096 (3,1,2,1,0,8) R15-M1-N13-J10
Task 3881 of 4096 (3,1,2,1,0,9) R15-M1-N13-J10
Task 3882 of 4096 (3,1,2,1,0,10) R15-M1-N13-J10
Task 3883 of 4096 (3,1,2,1,0,11) R15-M1-N13-J10
Task 3884 of 4096 (3,1,2,1,0,12) R15-M1-N13-J10
Task 3885 of 4096 (3,1,2,1,0,13) R15-M1-N13-J10
Task 3886 of 4096 (3,1,2,1,0,14) R15-M1-N13-J10
Task 3887 of 4096 (3,1,2,1,0,15) R15-M1-N13-J10
Task 3888 of 4096 (3,1,2,1,1,0) R15-M1-N13-J13
Task 3889 of 4096 (3,1,2,1,1,1) R15-M1-N13-J13
Task 3890 of 4096 (3,1,2,1,1,2) R15-M1-N13-J13
Task 3891 of 4096 (3,1,2,1,1,3) R15-M1-N13-J13
Task 3892 of 4096 (3,1,2,1,1,4) R15-M1-N13-J13
Task 3893 of 4096 (3,1,2,1,1,5) R15-M1-N13-J13
Task 3894 of 4096 (3,1,2,1,1,6) R15-M1-N13-J13
Task 3895 of 4096 (3,1,2,1,1,7) R15-M1-N13-J13
Task 3896 of 4096 (3,1,2,1,1,8) R15-M1-N13-J13
Task 3897 of 4096 (3,1,2,1,1,9) R15-M1-N13-J13
Task 3898 of 4096 (3,1,2,1,1,10) R15-M1-N13-J13
Task 3899 of 4096 (3,1,2,1,1,11) R15-M1-N13-J13
Task 3900 of 4096 (3,1,2,1,1,12) R15-M1-N13-J13
Task 3901 of 4096 (3,1,2,1,1,13) R15-M1-N13-J13
Task 3902 of 4096 (3,1,2,1,1,14) R15-M1-N13-J13
Task 3903 of 4096 (3,1,2,1,1,15) R15-M1-N13-J13
Task 3904 of 4096 (3,1,2,2,0,0) R15-M1-N15-J10
Task 3905 of 4096 (3,1,2,2,0,1) R15-M1-N15-J10
Task 3906 of 4096 (3,1,2,2,0,2) R15-M1-N15-J10
Task 3907 of 4096 (3,1,2,2,0,3) R15-M1-N15-J10
Task 3908 of 4096 (3,1,2,2,0,4) R15-M1-N15-J10
Task 3909 of 4096 (3,1,2,2,0,5) R15-M1-N15-J10
Task 3910 of 4096 (3,1,2,2,0,6) R15-M1-N15-J10
Task 3911 of 4096 (3,1,2,2,0,7) R15-M1-N15-J10
Task 3912 of 4096 (3,1,2,2,0,8) R15-M1-N15-J10
Task 3913 of 4096 (3,1,2,2,0,9) R15-M1-N15-J10
Task 3914 of 4096 (3,1,2,2,0,10) R15-M1-N15-J10
Task 3915 of 4096 (3,1,2,2,0,11) R15-M1-N15-J10
Task 3916 of 4096 (3,1,2,2,0,12) R15-M1-N15-J10
Task 3917 of 4096 (3,1,2,2,0,13) R15-M1-N15-J10
Task 3918 of 4096 (3,1,2,2,0,14) R15-M1-N15-J10
Task 3919 of 4096 (3,1,2,2,0,15) R15-M1-N15-J10
Task 3920 of 4096 (3,1,2,2,1,0) R15-M1-N15-J13
Task 3921 of 4096 (3,1,2,2,1,1) R15-M1-N15-J13
Task 3922 of 4096 (3,1,2,2,1,2) R15-M1-N15-J13
Task 3923 of 4096 (3,1,2,2,1,3) R15-M1-N15-J13
Task 3924 of 4096 (3,1,2,2,1,4) R15-M1-N15-J13
Task 3925 of 4096 (3,1,2,2,1,5) R15-M1-N15-J13
Task 3926 of 4096 (3,1,2,2,1,6) R15-M1-N15-J13
Task 3927 of 4096 (3,1,2,2,1,7) R15-M1-N15-J13
Task 3928 of 4096 (3,1,2,2,1,8) R15-M1-N15-J13
Task 3929 of 4096 (3,1,2,2,1,9) R15-M1-N15-J13
Task 3930 of 4096 (3,1,2,2,1,10) R15-M1-N15-J13
Task 3931 of 4096 (3,1,2,2,1,11) R15-M1-N15-J13
Task 3932 of 4096 (3,1,2,2,1,12) R15-M1-N15-J13
Task 3933 of 4096 (3,1,2,2,1,13) R15-M1-N15-J13
Task 3934 of 4096 (3,1,2,2,1,14) R15-M1-N15-J13
Task 3935 of 4096 (3,1,2,2,1,15) R15-M1-N15-J13
Task 3936 of 4096 (3,1,2,3,0,0) R15-M1-N15-J06
Task 3937 of 4096 (3,1,2,3,0,1) R15-M1-N15-J06
Task 3938 of 4096 (3,1,2,3,0,2) R15-M1-N15-J06
Task 3939 of 4096 (3,1,2,3,0,3) R15-M1-N15-J06
Task 3940 of 4096 (3,1,2,3,0,4) R15-M1-N15-J06
Task 3941 of 4096 (3,1,2,3,0,5) R15-M1-N15-J06
Task 3942 of 4096 (3,1,2,3,0,6) R15-M1-N15-J06
Task 3943 of 4096 (3,1,2,3,0,7) R15-M1-N15-J06
Task 3944 of 4096 (3,1,2,3,0,8) R15-M1-N15-J06
Task 3945 of 4096 (3,1,2,3,0,9) R15-M1-N15-J06
Task 3946 of 4096 (3,1,2,3,0,10) R15-M1-N15-J06
Task 3947 of 4096 (3,1,2,3,0,11) R15-M1-N15-J06
Task 3948 of 4096 (3,1,2,3,0,12) R15-M1-N15-J06
Task 3949 of 4096 (3,1,2,3,0,13) R15-M1-N15-J06
Task 3950 of 4096 (3,1,2,3,0,14) R15-M1-N15-J06
Task 3951 of 4096 (3,1,2,3,0,15) R15-M1-N15-J06
Task 3952 of 4096 (3,1,2,3,1,0) R15-M1-N15-J01
Task 3953 of 4096 (3,1,2,3,1,1) R15-M1-N15-J01
Task 3954 of 4096 (3,1,2,3,1,2) R15-M1-N15-J01
Task 3955 of 4096 (3,1,2,3,1,3) R15-M1-N15-J01
Task 3956 of 4096 (3,1,2,3,1,4) R15-M1-N15-J01
Task 3957 of 4096 (3,1,2,3,1,5) R15-M1-N15-J01
Task 3958 of 4096 (3,1,2,3,1,6) R15-M1-N15-J01
Task 3959 of 4096 (3,1,2,3,1,7) R15-M1-N15-J01
Task 3960 of 4096 (3,1,2,3,1,8) R15-M1-N15-J01
Task 3961 of 4096 (3,1,2,3,1,9) R15-M1-N15-J01
Task 3962 of 4096 (3,1,2,3,1,10) R15-M1-N15-J01
Task 3963 of 4096 (3,1,2,3,1,11) R15-M1-N15-J01
Task 3964 of 4096 (3,1,2,3,1,12) R15-M1-N15-J01
Task 3965 of 4096 (3,1,2,3,1,13) R15-M1-N15-J01
Task 3966 of 4096 (3,1,2,3,1,14) R15-M1-N15-J01
Task 3967 of 4096 (3,1,2,3,1,15) R15-M1-N15-J01
Task 3968 of 4096 (3,1,3,0,0,0) R15-M1-N13-J07
Task 3969 of 4096 (3,1,3,0,0,1) R15-M1-N13-J07
Task 3970 of 4096 (3,1,3,0,0,2) R15-M1-N13-J07
Task 3971 of 4096 (3,1,3,0,0,3) R15-M1-N13-J07
Task 3972 of 4096 (3,1,3,0,0,4) R15-M1-N13-J07
Task 3973 of 4096 (3,1,3,0,0,5) R15-M1-N13-J07
Task 3974 of 4096 (3,1,3,0,0,6) R15-M1-N13-J07
Task 3975 of 4096 (3,1,3,0,0,7) R15-M1-N13-J07
Task 3976 of 4096 (3,1,3,0,0,8) R15-M1-N13-J07
Task 3977 of 4096 (3,1,3,0,0,9) R15-M1-N13-J07
Task 3978 of 4096 (3,1,3,0,0,10) R15-M1-N13-J07
Task 3979 of 4096 (3,1,3,0,0,11) R15-M1-N13-J07
Task 3980 of 4096 (3,1,3,0,0,12) R15-M1-N13-J07
Task 3981 of 4096 (3,1,3,0,0,13) R15-M1-N13-J07
Task 3982 of 4096 (3,1,3,0,0,14) R15-M1-N13-J07
Task 3983 of 4096 (3,1,3,0,0,15) R15-M1-N13-J07
Task 3984 of 4096 (3,1,3,0,1,0) R15-M1-N13-J00
Task 3985 of 4096 (3,1,3,0,1,1) R15-M1-N13-J00
Task 3986 of 4096 (3,1,3,0,1,2) R15-M1-N13-J00
Task 3987 of 4096 (3,1,3,0,1,3) R15-M1-N13-J00
Task 3988 of 4096 (3,1,3,0,1,4) R15-M1-N13-J00
Task 3989 of 4096 (3,1,3,0,1,5) R15-M1-N13-J00
Task 3990 of 4096 (3,1,3,0,1,6) R15-M1-N13-J00
Task 3991 of 4096 (3,1,3,0,1,7) R15-M1-N13-J00
Task 3992 of 4096 (3,1,3,0,1,8) R15-M1-N13-J00
Task 3993 of 4096 (3,1,3,0,1,9) R15-M1-N13-J00
Task 3994 of 4096 (3,1,3,0,1,10) R15-M1-N13-J00
Task 3995 of 4096 (3,1,3,0,1,11) R15-M1-N13-J00
Task 3996 of 4096 (3,1,3,0,1,12) R15-M1-N13-J00
Task 3997 of 4096 (3,1,3,0,1,13) R15-M1-N13-J00
Task 3998 of 4096 (3,1,3,0,1,14) R15-M1-N13-J00
Task 3999 of 4096 (3,1,3,0,1,15) R15-M1-N13-J00
Task 4000 of 4096 (3,1,3,1,0,0) R15-M1-N13-J11
Task 4001 of 4096 (3,1,3,1,0,1) R15-M1-N13-J11
Task 4002 of 4096 (3,1,3,1,0,2) R15-M1-N13-J11
Task 4003 of 4096 (3,1,3,1,0,3) R15-M1-N13-J11
Task 4004 of 4096 (3,1,3,1,0,4) R15-M1-N13-J11
Task 4005 of 4096 (3,1,3,1,0,5) R15-M1-N13-J11
Task 4006 of 4096 (3,1,3,1,0,6) R15-M1-N13-J11
Task 4007 of 4096 (3,1,3,1,0,7) R15-M1-N13-J11
Task 4008 of 4096 (3,1,3,1,0,8) R15-M1-N13-J11
Task 4009 of 4096 (3,1,3,1,0,9) R15-M1-N13-J11
Task 4010 of 4096 (3,1,3,1,0,10) R15-M1-N13-J11
Task 4011 of 4096 (3,1,3,1,0,11) R15-M1-N13-J11
Task 4012 of 4096 (3,1,3,1,0,12) R15-M1-N13-J11
Task 4013 of 4096 (3,1,3,1,0,13) R15-M1-N13-J11
Task 4014 of 4096 (3,1,3,1,0,14) R15-M1-N13-J11
Task 4015 of 4096 (3,1,3,1,0,15) R15-M1-N13-J11
Task 4016 of 4096 (3,1,3,1,1,0) R15-M1-N13-J12
Task 4017 of 4096 (3,1,3,1,1,1) R15-M1-N13-J12
Task 4018 of 4096 (3,1,3,1,1,2) R15-M1-N13-J12
Task 4019 of 4096 (3,1,3,1,1,3) R15-M1-N13-J12
Task 4020 of 4096 (3,1,3,1,1,4) R15-M1-N13-J12
Task 4021 of 4096 (3,1,3,1,1,5) R15-M1-N13-J12
Task 4022 of 4096 (3,1,3,1,1,6) R15-M1-N13-J12
Task 4023 of 4096 (3,1,3,1,1,7) R15-M1-N13-J12
Task 4024 of 4096 (3,1,3,1,1,8) R15-M1-N13-J12
Task 4025 of 4096 (3,1,3,1,1,9) R15-M1-N13-J12
Task 4026 of 4096 (3,1,3,1,1,10) R15-M1-N13-J12
Task 4027 of 4096 (3,1,3,1,1,11) R15-M1-N13-J12
Task 4028 of 4096 (3,1,3,1,1,12) R15-M1-N13-J12
Task 4029 of 4096 (3,1,3,1,1,13) R15-M1-N13-J12
Task 4030 of 4096 (3,1,3,1,1,14) R15-M1-N13-J12
Task 4031 of 4096 (3,1,3,1,1,15) R15-M1-N13-J12
Task 4032 of 4096 (3,1,3,2,0,0) R15-M1-N15-J11
Task 4033 of 4096 (3,1,3,2,0,1) R15-M1-N15-J11
Task 4034 of 4096 (3,1,3,2,0,2) R15-M1-N15-J11
Task 4035 of 4096 (3,1,3,2,0,3) R15-M1-N15-J11
Task 4036 of 4096 (3,1,3,2,0,4) R15-M1-N15-J11
Task 4037 of 4096 (3,1,3,2,0,5) R15-M1-N15-J11
Task 4038 of 4096 (3,1,3,2,0,6) R15-M1-N15-J11
Task 4039 of 4096 (3,1,3,2,0,7) R15-M1-N15-J11
Task 4040 of 4096 (3,1,3,2,0,8) R15-M1-N15-J11
Task 4041 of 4096 (3,1,3,2,0,9) R15-M1-N15-J11
Task 4042 of 4096 (3,1,3,2,0,10) R15-M1-N15-J11
Task 4043 of 4096 (3,1,3,2,0,11) R15-M1-N15-J11
Task 4044 of 4096 (3,1,3,2,0,12) R15-M1-N15-J11
Task 4045 of 4096 (3,1,3,2,0,13) R15-M1-N15-J11
Task 4046 of 4096 (3,1,3,2,0,14) R15-M1-N15-J11
Task 4047 of 4096 (3,1,3,2,0,15) R15-M1-N15-J11
Task 4048 of 4096 (3,1,3,2,1,0) R15-M1-N15-J12
Task 4049 of 4096 (3,1,3,2,1,1) R15-M1-N15-J12
Task 4050 of 4096 (3,1,3,2,1,2) R15-M1-N15-J12
Task 4051 of 4096 (3,1,3,2,1,3) R15-M1-N15-J12
Task 4052 of 4096 (3,1,3,2,1,4) R15-M1-N15-J12
Task 4053 of 4096 (3,1,3,2,1,5) R15-M1-N15-J12
Task 4054 of 4096 (3,1,3,2,1,6) R15-M1-N15-J12
Task 4055 of 4096 (3,1,3,2,1,7) R15-M1-N15-J12
Task 4056 of 4096 (3,1,3,2,1,8) R15-M1-N15-J12
Task 4057 of 4096 (3,1,3,2,1,9) R15-M1-N15-J12
Task 4058 of 4096 (3,1,3,2,1,10) R15-M1-N15-J12
Task 4059 of 4096 (3,1,3,2,1,11) R15-M1-N15-J12
Task 4060 of 4096 (3,1,3,2,1,12) R15-M1-N15-J12
Task 4061 of 4096 (3,1,3,2,1,13) R15-M1-N15-J12
Task 4062 of 4096 (3,1,3,2,1,14) R15-M1-N15-J12
Task 4063 of 4096 (3,1,3,2,1,15) R15-M1-N15-J12
Task 4064 of 4096 (3,1,3,3,0,0) R15-M1-N15-J07
Task 4065 of 4096 (3,1,3,3,0,1) R15-M1-N15-J07
Task 4066 of 4096 (3,1,3,3,0,2) R15-M1-N15-J07
Task 4067 of 4096 (3,1,3,3,0,3) R15-M1-N15-J07
Task 4068 of 4096 (3,1,3,3,0,4) R15-M1-N15-J07
Task 4069 of 4096 (3,1,3,3,0,5) R15-M1-N15-J07
Task 4070 of 4096 (3,1,3,3,0,6) R15-M1-N15-J07
Task 4071 of 4096 (3,1,3,3,0,7) R15-M1-N15-J07
Task 4072 of 4096 (3,1,3,3,0,8) R15-M1-N15-J07
Task 4073 of 4096 (3,1,3,3,0,9) R15-M1-N15-J07
Task 4074 of 4096 (3,1,3,3,0,10) R15-M1-N15-J07
Task 4075 of 4096 (3,1,3,3,0,11) R15-M1-N15-J07
Task 4076 of 4096 (3,1,3,3,0,12) R15-M1-N15-J07
Task 4077 of 4096 (3,1,3,3,0,13) R15-M1-N15-J07
Task 4078 of 4096 (3,1,3,3,0,14) R15-M1-N15-J07
Task 4079 of 4096 (3,1,3,3,0,15) R15-M1-N15-J07
Task 4080 of 4096 (3,1,3,3,1,0) R15-M1-N15-J00
Task 4081 of 4096 (3,1,3,3,1,1) R15-M1-N15-J00
Task 4082 of 4096 (3,1,3,3,1,2) R15-M1-N15-J00
Task 4083 of 4096 (3,1,3,3,1,3) R15-M1-N15-J00
Task 4084 of 4096 (3,1,3,3,1,4) R15-M1-N15-J00
Task 4085 of 4096 (3,1,3,3,1,5) R15-M1-N15-J00
Task 4086 of 4096 (3,1,3,3,1,6) R15-M1-N15-J00
Task 4087 of 4096 (3,1,3,3,1,7) R15-M1-N15-J00
Task 4088 of 4096 (3,1,3,3,1,8) R15-M1-N15-J00
Task 4089 of 4096 (3,1,3,3,1,9) R15-M1-N15-J00
Task 4090 of 4096 (3,1,3,3,1,10) R15-M1-N15-J00
Task 4091 of 4096 (3,1,3,3,1,11) R15-M1-N15-J00
Task 4092 of 4096 (3,1,3,3,1,12) R15-M1-N15-J00
Task 4093 of 4096 (3,1,3,3,1,13) R15-M1-N15-J00
Task 4094 of 4096 (3,1,3,3,1,14) R15-M1-N15-J00
Task 4095 of 4096 (3,1,3,3,1,15) R15-M1-N15-J00
[qbox] set nrowmax 256
[qbox] load md115.xml
LoadCmd: loading from md115.xml
SampleReader: reading from file md115.xml size: 1595163516
XMLGFPreprocessor: read time: 1.394
XMLGFPreprocessor: local read rate: 0.2664 MB/s aggregate read rate: 1091 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 3.047
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: 0.01536
XMLGFPreprocessor: total time: 11.66
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: 13.896818 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: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 2.926 s
total exchange = -52.3640462268 (a.u.)
total exchange computation time: 2.7218461037 s
678.86841780
-1083.38235603
89.76650397
-389.44778622
-174.84585907
78.09563845
551.60419304
0.00000000
-931.40512578
3.98097611 -30.90511829 -2.27149002
0.00013197 -0.00045725 0.00006701
0.00442812 -0.01575749 0.01377012
-11.52679355 -1.78598198 -9.25212579
0.00011276 0.00036280 -0.00013756
-0.00746658 -0.00373635 0.00429812
-37.48798213 2.45514218 0.13943592
-0.00006431 0.00002402 0.00012496
0.02089888 -0.00256748 -0.00977823
-11.71936252 -4.13913351 3.87473462
0.00007397 -0.00020270 0.00010998
0.01652280 0.01135984 0.00276731
4.25211277 -3.96843248 9.20356485
-0.00022408 -0.00004872 -0.00035233
0.01683226 0.02603406 -0.00604859
-32.14688856 -0.44738064 -0.38785854
-0.00048137 0.00033721 0.00032460
-0.01024364 0.01311772 0.02676093
14.49572198 12.57954053 -13.78942230
-0.00023195 -0.00018475 0.00049374
0.00456137 -0.00219536 -0.01480323
-7.71217495 6.04496106 2.57661121
-0.00001681 -0.00000907 0.00013125
0.00385887 0.01578463 0.04584885
7.56457621 12.53000769 -5.87049220
-0.00018279 -0.00025069 -0.00032804
-0.05358733 -0.03415393 0.00920496
8.84030629 9.89624625 -18.95475824
-0.00005281 0.00009700 -0.00004137
0.00031648 -0.00472367 -0.01491857
23.31127622 17.32248992 -2.19833442
-0.00028598 0.00013066 -0.00008230
-0.01051859 -0.01384701 -0.00126812
2.18644335 16.84276863 -19.59431757
-0.00013670 -0.00014267 0.00001483
-0.00597923 0.02162285 0.02577104
14.02805652 -1.16669187 -5.65072722
0.00003165 0.00025307 -0.00025204
-0.01489953 0.00471974 0.01645837
-16.05532043 -1.41937736 3.20783756
-0.00003950 0.00010291 0.00005611
-0.03144421 -0.01301499 -0.00687952
-16.63036350 -1.95833592 18.96764871
0.00059802 -0.00027709 -0.00033821
0.01989141 -0.01133090 0.02856696
0.40177490 2.03562876 -4.92134770
0.00004593 0.00002614 0.00018862
0.01609941 -0.03032034 0.00341841
22.62434829 -7.13156406 -8.85132666
0.00026538 0.00003199 0.00007552
-0.00378488 -0.00225702 -0.00276926
-0.68132674 -6.34744438 7.23836283
-0.00018547 0.00015657 0.00003957
-0.01412410 -0.01143985 0.01215548
-1.75249283 -1.39628822 -19.34553456
-0.00004267 0.00015151 -0.00005788
-0.00354960 0.02782733 0.01662878
3.22474448 1.93900573 -9.29734952
0.00001440 -0.00040031 -0.00007605
-0.00362893 0.00682646 -0.02605379
-3.86738613 17.80917755 12.31607732
0.00005362 -0.00025091 0.00001128
0.04669865 -0.03259811 -0.02318054
-3.85234369 4.98441323 -11.07017134
0.00008330 0.00007522 0.00006080
-0.00131533 0.01132171 -0.02074965
-7.97203769 2.92678872 -8.98150706
-0.00006016 -0.00035050 0.00011113
-0.02095322 -0.00107308 0.00828725
2.29682442 27.44627466 8.63210952
0.00032694 0.00010571 0.00010414
0.00310930 -0.01234243 0.00867232
9.75773941 -6.22027205 -1.84015425
-0.00030866 -0.00002689 0.00009123
0.00385217 -0.00199505 0.00222851
-8.73606287 0.79247466 6.01217285
-0.00005754 0.00011242 0.00002340
-0.02916753 -0.02247877 0.00784089
20.34430503 10.81224039 8.86597978
0.00002170 -0.00002483 -0.00007950
0.02083578 0.00968141 -0.01129634
-2.22752808 -2.12300376 -27.30401199
0.00035970 -0.00012813 -0.00020150
0.03008120 -0.01638072 -0.01115510
-14.33199987 6.17794434 7.73997489
0.00002432 0.00001457 0.00027725
0.01892375 -0.02592188 0.00547560
-9.56910639 7.29868681 -2.48711891
0.00006362 0.00006392 0.00016004
-0.00112710 -0.00287623 0.00875785
-1.79534969 -15.49447417 23.55073792
0.00010025 0.00033178 -0.00040764
0.00258358 0.01023032 0.00656729
-2.68562598 6.32110331 -6.26754676
-0.00013398 0.00007892 0.00015923
0.03158886 -0.01653656 0.02089536
-20.06892728 30.92463560 4.23313261
-0.00020050 -0.00056301 -0.00027908
-0.05987430 -0.03073796 0.02247438
7.61303871 0.20497383 7.77418772
0.00009706 0.00033962 -0.00032707
0.00606736 -0.02733854 0.00330483
5.72255631 11.54477116 -13.60780607
0.00004036 0.00006369 0.00029749
-0.05456022 -0.01949212 -0.03932192
15.53110116 2.81219320 -1.89003353
-0.00008679 -0.00027705 0.00019211
0.00747064 -0.00977976 0.00302315
-4.37127171 13.42642727 -0.88058964
-0.00011344 -0.00036110 0.00031855
0.00562515 -0.00640190 0.00233819
4.63846950 12.42279534 3.03493999
0.00007504 -0.00002746 -0.00041369
-0.00891385 -0.01785047 0.00104523
25.01871614 -11.62954214 -9.80391000
0.00017608 0.00022557 -0.00035026
0.01869881 0.00408741 -0.01656997
16.57328860 -3.72971870 -0.56018919
0.00030590 0.00013151 -0.00026685
-0.01163166 -0.00682966 -0.00069110
13.03115278 7.96486880 10.07230741
0.00026843 0.00005310 0.00008070
0.00287801 0.00579102 0.03538391
1.58398777 -14.00461606 17.64236980
-0.00003133 -0.00008302 -0.00006766
0.02201611 0.03303083 0.00914550
-4.09619964 -0.71718715 -14.24582025
0.00049481 -0.00008999 0.00027600
0.02219769 0.00228077 -0.05295093
15.10201169 -7.68092750 -8.89413558
-0.00002557 0.00046172 0.00014788
-0.01378431 -0.01175992 -0.04812822
8.45941465 -6.97042813 8.81093352
-0.00022388 -0.00012037 0.00012516
0.02548600 -0.00443881 -0.00369727
-21.20493507 2.28882281 22.72582732
0.00018558 -0.00005971 0.00013156
0.00566476 0.00624123 0.04897199
25.69687682 -3.25856251 -8.04067316
-0.00006400 -0.00006736 -0.00021092
0.00727453 0.00576140 -0.00138397
9.85171528 -14.04183210 -8.09529861
0.00008527 0.00017933 -0.00049833
0.00788375 0.03135958 -0.00638473
-6.68342367 -12.44566988 16.95636314
-0.00019688 -0.00000864 0.00016442
0.01307089 0.00879443 -0.01229921
8.02932265 3.27787692 -29.35770624
-0.00034936 -0.00048220 0.00004606
-0.00948220 0.01989675 0.00136820
10.85910975 15.38245292 15.34983822
0.00014821 0.00010703 0.00011731
0.03883125 0.03775326 0.02207191
28.65637691 6.12651983 -3.29714522
0.00021927 0.00022837 -0.00020041
-0.01390685 0.01096917 0.00512236
5.46129795 -31.30406522 -3.28706320
0.00008482 -0.00056404 -0.00067045
-0.00144298 -0.00357251 -0.00438112
4.32963704 -31.49512337 -0.52997127
0.00075928 0.00061192 0.00061183
-0.00336544 0.00383438 -0.00653848
-11.68534426 -3.55557968 -8.68656890
-0.00033827 0.00080014 -0.00037091
-0.00530032 0.01107683 -0.01071247
-12.58004810 -1.42773901 -10.71077224
0.00060603 0.00069424 0.00035110
0.00252724 -0.00831981 0.00483320
-39.01823406 1.99971063 0.91924364
-0.00008161 -0.00018086 0.00033702
-0.02160430 -0.00613076 0.01779249
-37.92879518 3.89556167 -0.89181960
0.00009231 -0.00103665 0.00049897
0.00121594 0.01073682 -0.00742360
-10.52099770 -5.52468637 3.57985174
-0.00064503 0.00072186 -0.00016482
-0.00648018 -0.00852443 -0.00195985
-10.59826594 -2.70073338 3.62596475
-0.00076325 -0.00028062 0.00016904
-0.00480057 -0.00082970 0.00338834
4.91254732 -2.42412939 8.32167193
-0.00105011 -0.00022522 0.00037404
-0.01061534 -0.02178123 0.01534353
4.60056632 -3.58450776 11.00152997
-0.00100773 -0.00003373 -0.00037003
-0.00806450 -0.00424627 -0.00932485
-33.45438849 -1.69559326 -0.58964387
-0.00061601 0.00030971 0.00076677
-0.00895914 0.00358527 0.00712793
-32.67461999 0.81313402 0.95387906
-0.00026503 0.00054899 0.00026901
0.00451032 -0.02797902 -0.03339905
14.43924253 12.60790654 -15.65924377
-0.00103077 0.00007288 -0.00122918
-0.01008360 0.00477150 0.00975149
16.21125212 12.05988405 -13.50967762
-0.00111635 0.00096953 -0.00013111
0.01339588 -0.00028499 0.00466384
-8.72053427 7.20342429 1.65354300
0.00025455 0.00014367 0.00012231
-0.00770710 0.01322507 -0.01442287
-7.43331120 4.73023101 1.43821470
-0.00015477 0.00133937 0.00013020
0.00698064 -0.03161592 -0.03330588
6.08346207 12.30840369 -6.97663158
-0.00009171 0.00004441 -0.00024649
0.01654277 0.00371397 0.00771490
8.77450804 13.62100992 -6.69711158
-0.00004080 -0.00026218 0.00041802
0.02033064 0.01485605 -0.01534592
8.49289212 8.87643045 -20.42788266
0.00019604 0.00017543 0.00053525
-0.00348694 -0.00839280 0.00204482
9.92488249 11.16494058 -19.70785698
-0.00039560 -0.00051492 -0.00022127
0.01605290 0.00383251 0.00924772
23.74571501 15.53598754 -2.60865778
0.00057566 -0.00046313 -0.00036491
0.00702593 0.02167392 0.00111858
24.92300769 18.22397456 -2.24177731
-0.00045287 0.00014023 -0.00008211
-0.00328713 0.00158490 -0.01031781
1.61420538 16.82097324 -21.33237483
0.00056847 0.00017501 -0.00136851
-0.00180130 -0.00326711 -0.01184039
3.26851127 15.41283239 -19.23832384
0.00069541 0.00102172 -0.00103089
0.00576922 -0.01397974 -0.00375974
12.52659369 -0.65186699 -6.59225154
-0.00083492 -0.00078187 0.00003158
0.00747706 -0.01058534 -0.01490854
13.32970754 -1.08689062 -3.95376832
0.00005657 0.00066083 -0.00072778
0.00795818 -0.00301822 -0.00123187
-17.53099651 -2.49389234 2.60724091
-0.00000798 0.00159026 -0.00057866
0.03072604 0.01034443 0.02056606
-14.58959645 -2.48211805 3.49111148
0.00005171 0.00013556 -0.00086256
-0.00313074 -0.01517749 -0.01074732
-16.48555702 -0.54022737 20.22180642
-0.00087241 -0.00060814 0.00004707
0.00439592 -0.01366775 -0.01778817
-15.39689237 -3.26198653 19.56087807
-0.00001427 0.00021466 0.00031990
-0.01625555 0.02401137 -0.00580157
-0.64053901 0.40977656 -4.99543608
0.00077081 -0.00055900 0.00049864
0.00599384 0.02449468 -0.00071295
-0.64954400 3.47508288 -4.98532578
-0.00001877 0.00016876 0.00010773
-0.02480441 0.01276799 -0.00002191
23.55326016 -8.67602103 -9.12082181
-0.00027413 0.00058279 0.00029920
-0.00653431 -0.02258551 -0.00653492
24.04114361 -6.00636725 -8.75789760
0.00016654 -0.00026074 0.00011055
0.00107469 0.02467066 0.00761335
0.24592159 -6.10059508 5.69625781
-0.00018973 -0.00050499 -0.00029137
0.01081150 0.00468821 -0.00266075
0.31876286 -5.80840031 8.67526172
0.00080880 -0.00153309 -0.00016874
0.00648645 0.00336506 -0.00970589
-0.67939247 -2.78906648 -18.99182256
0.00092082 -0.00054260 -0.00078272
0.00769673 -0.01844176 -0.00337759
-2.99913389 -1.80173278 -20.59349395
0.00043666 -0.00008122 0.00038321
-0.00927488 -0.01400498 -0.00957954
2.55974727 2.50515484 -10.98215868
-0.00007779 0.00102886 0.00043552
0.01319463 -0.00300612 0.02845350
2.18883609 2.63364973 -7.94326292
-0.00041158 -0.00059728 0.00082541
-0.00829696 -0.00736572 0.00130137
-2.26225006 16.67474686 12.41117256
-0.00008235 0.00064210 0.00000435
-0.03019001 0.01920695 -0.00130936
-3.46959434 19.00664852 13.59191042
-0.00014825 -0.00126139 0.00063765
-0.00147018 0.01541347 0.01836064
-5.02836021 6.39178919 -11.54093933
-0.00147675 0.00078538 0.00124692
0.01359409 -0.02632674 -0.00233619
-3.70876949 3.71741502 -12.43506082
-0.00084262 -0.00115510 -0.00069969
-0.00618386 0.01640669 0.01159518
-7.73137089 2.10315036 -7.38130531
0.00059173 0.00006256 -0.00038241
-0.00266516 -0.00664334 0.00276343
-6.29511965 3.39308703 -9.37923695
0.00114947 -0.00012584 -0.00007700
0.02035903 0.00921546 -0.01030543
2.73905389 28.23363619 7.06156463
0.00049606 -0.00061184 0.00081944
-0.00337776 0.00161607 -0.00514363
0.79949334 28.22717517 9.26488688
0.00023761 0.00107436 0.00011885
-0.00722456 0.00551669 -0.00210997
10.65881985 -7.47570007 -0.80909226
0.00036632 -0.00036752 0.00036042
-0.00477670 0.00837209 -0.00271856
8.60617857 -7.14379454 -2.92382086
-0.00050948 0.00010521 -0.00019635
0.00026761 -0.00576564 0.00541009
-6.96069573 0.59055361 6.39332152
0.00041407 -0.00035219 0.00085588
0.00457251 -0.01272195 0.00957647
-9.64859308 -0.55944037 6.98905920
-0.00015254 0.00079575 0.00044579
0.02090465 0.02756852 -0.01407431
21.75357315 10.18700728 9.87550479
-0.00038671 0.00069776 0.00035440
-0.00703532 0.00520768 0.00564264
21.01289456 12.47711859 8.25986627
-0.00006917 0.00105711 0.00001394
-0.01302850 -0.00969913 0.00469360
-1.45425542 -3.63564340 -26.52791209
0.00035537 0.00113155 -0.00039100
0.00155958 0.01563163 -0.00180582
-3.93160312 -2.15053030 -26.84052001
0.00104283 0.00024662 -0.00015794
-0.03467730 0.00234258 0.01280735
-13.89882722 7.16422279 9.20751996
0.00033937 0.00005397 0.00004283
-0.00497194 0.00733696 -0.00256270
-15.47561055 7.09645463 6.71249800
-0.00015842 0.00008826 0.00082370
-0.00357795 0.01478374 -0.00163599
-11.27785966 7.45778125 -3.07588546
0.00012057 0.00071671 0.00137741
-0.00113708 0.00054303 -0.00297766
-8.45140578 8.29577624 -3.64806041
0.00043464 -0.00039356 0.00063766
-0.01792010 -0.00813990 0.00657994
-1.04428276 -17.15458414 23.23450995
0.00095396 0.00049337 -0.00074404
-0.00423050 -0.00543268 -0.00184409
-3.57810750 -15.63259742 24.00411886
-0.00177307 0.00055052 -0.00029785
0.00991533 -0.00372741 -0.00180191
-2.25131204 6.16139611 -7.99891109
0.00046392 0.00058488 0.00000458
-0.00783902 -0.00243392 -0.01976784
-4.19710272 7.23513793 -6.08894619
-0.00053139 -0.00130153 0.00052848
-0.02758549 0.01743960 0.00062451
-21.36074482 30.03961105 3.04850497
0.00002271 -0.00107659 0.00008832
0.01632243 0.01670417 0.01218670
-21.23189006 31.31990814 5.71003993
0.00017327 -0.00081796 0.00071034
0.02040914 -0.00100141 -0.02854507
7.09150520 -0.32917079 6.04709942
-0.00033931 -0.00048805 -0.00078704
-0.00217946 0.02295747 0.01055788
7.68114770 1.98516252 8.05867909
0.00000456 0.00027258 0.00002429
-0.00906746 0.01216434 -0.01027711
7.08701741 12.69488099 -14.13166811
0.00035028 0.00028586 0.00020418
0.00161635 0.00751492 0.01177473
4.32729164 11.80765803 -14.93969082
0.00090464 -0.00015975 0.00051880
0.04269337 -0.00392056 0.03530620
14.45284763 3.70899111 -3.06282132
-0.00024330 -0.00015674 0.00047007
-0.00113209 0.00135257 0.00592557
15.00804102 1.03284962 -1.94317300
-0.00021112 0.00053996 -0.00016291
0.00569260 0.02354089 0.00180218
-2.63339703 13.17676597 -0.39398532
-0.00021547 -0.00048562 -0.00039530
-0.00015290 -0.00202311 -0.00162232
-5.36515688 12.89688714 0.60541096
-0.00058265 0.00042968 -0.00014003
-0.00153950 0.00388860 -0.00710500
3.68204399 10.71278004 3.55276765
-0.00036325 0.00078800 -0.00033317
0.01134232 0.03774912 -0.01671584
6.41899826 11.88470647 3.03267575
0.00065274 -0.00083856 -0.00060650
-0.00757630 0.00051973 0.00574201
25.16487860 -12.63447376 -8.27710578
0.00025571 0.00059773 0.00021831
0.00489019 -0.00411428 -0.00647032
26.56803004 -11.58608880 -11.04361530
0.00032666 -0.00039761 0.00031723
-0.02708120 -0.00030324 0.02516752
14.70616265 -3.80756281 -0.48152674
0.00034711 0.00063140 0.00114783
0.02897600 0.00009989 0.00209718
17.19757288 -5.50068988 -0.66099078
-0.00054521 0.00069055 0.00041860
-0.01149672 0.01128206 -0.00060666
12.41271267 8.05898618 11.88847356
-0.00013826 0.00003222 0.00068676
0.00112354 -0.01055522 -0.03062390
13.46428465 9.73934420 9.76852422
0.00013770 0.00000964 0.00070793
-0.00422506 -0.00440234 -0.01278009
-0.10493667 -14.53627994 17.21447345
0.00010660 -0.00104150 -0.00002379
-0.01587018 -0.00396708 -0.00260309
1.43795139 -12.26014429 18.31035970
0.00030532 -0.00011579 0.00026340
0.00455054 -0.02414750 -0.00660329
-3.83043536 -2.35869687 -13.50091263
-0.00041266 0.00071081 0.00044967
-0.00300049 -0.00352544 0.01079270
-3.30223590 -0.95789289 -16.00981630
0.00006370 -0.00075004 -0.00049946
-0.01380155 0.00661980 0.03780957
14.34867047 -8.22826518 -10.58822348
0.00113416 -0.00002479 -0.00043508
0.01306718 0.01004085 0.03486364
16.40033800 -6.38478443 -9.52354057
-0.00078093 -0.00020883 0.00025729
-0.01058081 -0.00343388 0.01981760
6.98603105 -5.90582347 8.91200135
-0.00056823 -0.00104681 -0.00061188
-0.01362110 0.01132740 -0.00176140
9.47305196 -6.34597516 7.43769282
0.00019417 -0.00139674 0.00105962
0.00153810 0.00688698 -0.00035760
-21.67963849 2.02105995 21.03250248
-0.00066986 0.00014127 -0.00003392
-0.00735028 -0.01072654 -0.03115014
-22.05689698 1.05746563 23.87594392
-0.00055585 0.00112704 0.00051232
0.00365619 0.00739161 -0.02192979
26.68940315 -2.98960391 -6.53679827
0.00004979 0.00018269 -0.00050248
0.00114310 0.00057268 0.00611012
25.21134419 -1.54158389 -8.49950696
0.00012679 0.00044003 -0.00043816
-0.00198311 0.00458118 -0.00182276
9.40415523 -15.70871164 -7.66762941
0.00081182 0.00050914 0.00005126
-0.00578746 -0.02897646 0.00819643
9.08736387 -12.89422790 -6.88056878
0.00049741 -0.00031348 0.00053166
0.00045492 -0.00122724 -0.00334654
-5.97538732 -11.22095141 18.09406115
-0.00054360 -0.00090523 -0.00001745
0.00854677 0.00647112 0.01005639
-7.22682513 -11.40579206 15.56130902
0.00041766 -0.00024742 -0.00023411
-0.00239873 0.00336433 -0.00705709
8.47327434 1.53742092 -29.30194609
-0.00016807 0.00028748 0.00010649
0.00215753 -0.01430514 -0.00546190
6.31185232 3.40430588 -30.03215542
-0.00114441 0.00030208 0.00060631
0.00553161 -0.01357147 -0.00546802
12.65882448 15.49003982 14.58734283
0.00046654 0.00009135 0.00068696
-0.01484492 -0.01380033 0.00209107
11.12975520 15.85448522 17.18736391
0.00029200 -0.00024436 -0.00067117
-0.00435686 -0.00553613 -0.03275292
29.32018221 4.82790549 -4.39107282
-0.00051504 -0.00007990 -0.00041071
0.00604618 -0.00623585 -0.00887097
26.92212920 6.39927391 -3.90164167
-0.00025238 -0.00012870 -0.00058939
0.00595984 0.00493875 0.00711379
-9.94123148 4.84859089 6.71235533
0.00000406 0.00001375 -0.00024634
-0.00269870 0.01154256 0.00084235
-8.72106706 13.31443655 2.59621363
-0.00007887 0.00006864 -0.00000510
-0.00295073 -0.00080215 -0.00069328
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09686133
0.30826445
410.74691997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.782 s
total exchange = -52.3700998527 (a.u.)
total exchange computation time: 2.6866140366 s
-154.1692571784
-931.40305061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3702726042 (a.u.)
total exchange computation time: 2.6884338856 s
-154.1695705754
Anderson extrapolation: theta=1.4125867057 (1.4125867057)
-931.40324834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.782 s
total exchange = -52.3704883441 (a.u.)
total exchange computation time: 2.6857919693 s
-154.1702795412
Anderson extrapolation: theta=0.0748430298 (0.0748430298)
-931.40337751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.782 s
total exchange = -52.3704807368 (a.u.)
total exchange computation time: 2.6868600845 s
-154.1705757962
Anderson extrapolation: theta=2.3484825449 (2.0000000000)
-931.40338546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.780 s
total exchange = -52.3704643067 (a.u.)
total exchange computation time: 2.6852760315 s
-154.1711351881
Anderson extrapolation: theta=0.4125196295 (0.4125196295)
-931.40339571
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3704687289 (a.u.)
total exchange computation time: 2.6851201057 s
-154.1712241899
Anderson extrapolation: theta=0.9335417900 (0.9335417900)
-931.40339835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3704910047 (a.u.)
total exchange computation time: 2.6864340305 s
-154.1711135973
Anderson extrapolation: theta=0.5468632491 (0.5468632491)
-931.40339997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3705192346 (a.u.)
total exchange computation time: 2.6861810684 s
-154.1708879839
Anderson extrapolation: theta=0.7374346859 (0.7374346859)
-931.40340049
-116.325349 66.879327 142.108938
559.580503 1031.405719 -411.065064
443.255154 1098.285046 -268.956126
1214.513306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1330232558
ExchangeOperator: bisection time: 2.781 s
total exchange = -52.3705498185 (a.u.)
total exchange computation time: 2.6867971420 s
678.97724045
-1083.60862286
89.75607151
-389.29360019
-174.86393973
78.21995171
551.60419304
0.00000000
-931.40340063
3.98297267 -30.91203782 -2.27043172
0.00013470 -0.00046542 0.00007397
0.00618914 -0.01602512 0.01328921
-11.52513098 -1.78055446 -9.25417258
0.00010965 0.00036127 -0.00013462
-0.00461395 -0.00218169 0.00711782
-37.48886613 2.45549260 0.14127259
-0.00005356 0.00002100 0.00012131
0.02088721 -0.00919691 -0.00441360
-11.71818922 -4.14213020 3.87639501
0.00008055 -0.00019625 0.00011177
0.00905214 0.01372855 0.00420696
4.24881656 -3.96906289 9.19825658
-0.00021599 -0.00003636 -0.00035506
0.01462995 0.02202032 -0.00458349
-32.15414869 -0.44227194 -0.38288631
-0.00048671 0.00034382 0.00033829
-0.01051597 0.01258745 0.02646119
14.49226026 12.57676079 -13.78207331
-0.00023229 -0.00018489 0.00048309
-0.00587976 0.00164029 -0.02662465
-7.71241227 6.04488584 2.57875676
-0.00001525 0.00000075 0.00015609
0.00223519 0.02239984 0.05076978
7.56162762 12.52611566 -5.87537724
-0.00021022 -0.00026835 -0.00032290
-0.05305398 -0.03454276 0.01075161
8.83951531 9.89768310 -18.95543639
-0.00005296 0.00009453 -0.00004790
-0.00087189 -0.00488619 -0.01044519
23.30694593 17.32439645 -2.19957387
-0.00029107 0.00012234 -0.00008310
-0.00926782 -0.01850705 -0.00182927
2.18436978 16.84071203 -19.59399567
-0.00014101 -0.00013082 0.00002584
-0.01076911 0.02443971 0.01702919
14.02847377 -1.16287761 -5.65444437
0.00002375 0.00025558 -0.00024449
-0.01582294 0.00502371 0.01289275
-16.05603423 -1.41788388 3.20865261
-0.00005498 0.00009704 0.00005279
-0.02874120 -0.00981685 -0.00602591
-16.62131640 -1.96253592 18.96268580
0.00060749 -0.00028232 -0.00032376
0.01691330 -0.00902698 0.02761611
0.40252601 2.03590390 -4.91850526
0.00005419 0.00001092 0.00019041
0.01599182 -0.02888133 0.00356208
22.62831433 -7.13109294 -8.85020460
0.00026246 0.00003172 0.00007428
-0.00753701 0.00123308 -0.00202388
-0.68416333 -6.34513992 7.23900323
-0.00019264 0.00015064 0.00004533
-0.01372252 -0.01163343 0.01025978
-1.75314653 -1.39390822 -19.34633858
-0.00004246 0.00016425 -0.00004810
0.00435650 0.02169921 0.02139664
3.22494656 1.93302743 -9.29859081
0.00001165 -0.00039611 -0.00008819
-0.00708706 0.00951219 -0.02114021
-3.86640177 17.80528812 12.31615712
0.00007716 -0.00026729 -0.00000083
0.04484539 -0.03107972 -0.02393454
-3.85109921 4.98558519 -11.06933931
0.00008176 0.00008080 0.00004856
-0.00469426 0.01036789 -0.02686170
-7.97302084 2.92152710 -8.97980807
-0.00006832 -0.00034976 0.00011381
-0.01081384 0.00393892 0.00212883
2.30174048 27.44781274 8.63370503
0.00032709 0.00009906 0.00011063
-0.00251775 -0.01352804 0.01659375
9.75312442 -6.22068303 -1.83877723
-0.00030638 -0.00002876 0.00009279
0.00500906 -0.00530695 0.00384304
-8.73703841 0.79407422 6.01255415
-0.00007093 0.00010097 0.00002759
-0.02293730 -0.02203452 0.00844549
20.34471085 10.81190532 8.86474368
0.00003233 -0.00001852 -0.00008596
0.02051671 0.01485495 -0.01381034
-2.22201655 -2.12498888 -27.30707756
0.00037580 -0.00013494 -0.00020840
0.03251161 -0.01010298 -0.01566622
-14.33156203 6.17806296 7.74415470
0.00003419 0.00000111 0.00028006
0.01945429 -0.02643910 0.00547229
-9.56815648 7.29963459 -2.48468448
0.00006358 0.00006198 0.00016530
0.00099178 -0.00466828 0.01170042
-1.79383602 -15.48945795 23.54464871
0.00009883 0.00033663 -0.00040364
-0.00808936 0.00862410 0.00895743
-2.68751385 6.32222330 -6.26507778
-0.00011694 0.00007000 0.00016935
0.03468866 -0.01814649 0.01845912
-20.07216581 30.91607187 4.22903307
-0.00023113 -0.00057847 -0.00026689
-0.05920533 -0.02938383 0.02491964
7.61451807 0.20996273 7.76929449
0.00009995 0.00032513 -0.00032624
0.00514881 -0.02903634 -0.00010055
5.72295127 11.54565132 -13.60349542
0.00001375 0.00005395 0.00027767
-0.04892028 -0.01838949 -0.03774596
15.52982805 2.80799976 -1.88714026
-0.00008265 -0.00028074 0.00019360
0.00863669 -0.00457896 0.00277611
-4.37295158 13.42098614 -0.87580234
-0.00011088 -0.00036403 0.00031893
0.00432900 -0.00501702 -0.00087982
4.63956077 12.42231457 3.02873862
0.00007172 -0.00003666 -0.00041329
-0.00401147 -0.01791176 0.00053810
25.02142950 -11.62614282 -9.80922776
0.00018555 0.00022720 -0.00035796
0.01813033 0.00224180 -0.01338470
16.57783225 -3.72777246 -0.56419464
0.00029948 0.00012921 -0.00026702
-0.01335101 -0.00207804 0.00003251
13.03519037 7.96568761 10.07365441
0.00026961 0.00005581 0.00009979
0.00169035 0.00474365 0.03885516
1.58360278 -14.00573396 17.64139010
-0.00002008 -0.00006632 -0.00006310
0.02172117 0.03191033 0.00861039
-4.08869180 -0.71852825 -14.24188451
0.00050605 -0.00008745 0.00024752
0.02148932 0.00762520 -0.05780715
15.10157495 -7.67404706 -8.89210309
-0.00003327 0.00045479 0.00012324
-0.01615776 -0.01520461 -0.04767759
8.45615470 -6.97225077 8.81279671
-0.00021139 -0.00012372 0.00012471
0.02310153 -0.00859091 0.00194711
-21.20212945 2.28795119 22.72798964
0.00018845 -0.00005633 0.00015554
0.00546842 0.00690303 0.04427368
25.69594495 -3.25955061 -8.04384232
-0.00006062 -0.00006357 -0.00021202
0.00584917 0.00897489 -0.00288361
9.85302472 -14.03902122 -8.10279816
0.00008920 0.00019619 -0.00050143
0.00740468 0.03420490 -0.00567027
-6.68632644 -12.44576560 16.95878194
-0.00019082 -0.00000533 0.00015699
0.01047246 0.00409158 -0.01656034
8.02404566 3.27072066 -29.35701012
-0.00035543 -0.00047019 0.00004644
-0.01410482 0.02679336 0.00012592
10.86148273 15.38420404 15.35168294
0.00016811 0.00012606 0.00012766
0.03853136 0.03622493 0.01820137
28.65961233 6.12998775 -3.30013161
0.00021131 0.00023391 -0.00019841
-0.01703109 0.01055545 0.00267320
5.46252607 -31.31263531 -3.29725420
0.00007495 -0.00057746 -0.00068450
-0.00338918 -0.00299548 -0.00249572
4.34092314 -31.48582715 -0.52099410
0.00074488 0.00062750 0.00058218
-0.00368397 0.00379444 -0.00797995
-11.69058075 -3.54323820 -8.69246081
-0.00036006 0.00083953 -0.00041294
-0.00536715 0.00820703 -0.00986235
-12.57088017 -1.41758042 -10.70535769
0.00061063 0.00066238 0.00036314
-0.00027638 -0.00727151 0.00106383
-39.02012020 1.99680980 0.92484412
-0.00016603 -0.00020457 0.00040771
-0.01972237 -0.00547489 0.01681240
-37.92737331 3.88034089 -0.88456247
0.00009341 -0.00097996 0.00045959
-0.00067634 0.01701558 -0.01185395
-10.53087172 -5.51411963 3.57731945
-0.00066222 0.00067609 -0.00017499
-0.00193448 -0.01388306 -0.00302266
-10.60986185 -2.70496804 3.62860420
-0.00077735 -0.00027705 0.00018203
-0.00209835 0.00257520 0.00296872
4.89647039 -2.42817516 8.32775265
-0.00108957 -0.00030650 0.00043110
-0.00869957 -0.01800264 0.01258794
4.58520326 -3.58514379 10.99569381
-0.00103969 -0.00005121 -0.00040585
-0.00757905 -0.00431334 -0.00820911
-33.46390310 -1.69083773 -0.57792386
-0.00065143 0.00032525 0.00079550
-0.00838130 0.00402297 0.00693226
-32.67845716 0.82051149 0.95689079
-0.00024674 0.00043489 0.00013317
0.00443970 -0.02787485 -0.03309595
14.42347206 12.60914597 -15.67738266
-0.00107026 0.00009180 -0.00116833
-0.00924959 0.00448723 0.02003442
16.19491742 12.07441822 -13.51150142
-0.00104153 0.00096275 -0.00011009
0.02322727 -0.00303336 0.00562673
-8.71695225 7.20598462 1.65493573
0.00022285 0.00019894 0.00006431
-0.00780905 0.01383094 -0.01396792
-7.43541885 4.74935268 1.43914718
-0.00012269 0.00119538 -0.00001709
0.00872323 -0.03886557 -0.03879670
6.08259340 12.30918364 -6.98009255
-0.00002577 0.00005939 -0.00021719
0.01573446 0.00361866 0.00662749
8.77451902 13.61753250 -6.69131147
0.00004354 -0.00019995 0.00035377
0.02095638 0.01560336 -0.01610482
8.49572583 8.87880467 -20.41979119
0.00017931 0.00013517 0.00053685
-0.00470264 -0.01131141 -0.00126595
9.91944035 11.15733422 -19.71089272
-0.00032484 -0.00049295 -0.00018605
0.01858512 0.00692264 0.00799331
23.75456523 15.52970481 -2.61409721
0.00060201 -0.00036721 -0.00035829
0.00586973 0.02527907 0.00212251
24.91611385 18.22612657 -2.24332505
-0.00046444 0.00014790 -0.00012473
-0.00237669 0.00216728 -0.01054617
1.62267726 16.82349832 -21.35326523
0.00056452 0.00016258 -0.00140233
-0.00013265 -0.00281815 -0.00471879
3.27911916 15.42772987 -19.25390237
0.00072370 0.00095830 -0.00104309
0.00807914 -0.01706479 -0.00221476
12.51429903 -0.66391947 -6.59223463
-0.00080041 -0.00082529 -0.00002895
0.00941418 -0.01066502 -0.01472282
13.33079993 -1.07707068 -3.96472271
0.00008758 0.00064815 -0.00072547
0.00722153 -0.00318666 0.00235985
-17.53017466 -2.46972144 2.59919115
0.00011250 0.00162689 -0.00049621
0.02825179 0.00758323 0.01979691
-14.58891670 -2.48054978 3.47784376
0.00003898 0.00007233 -0.00090640
-0.00310145 -0.01577435 -0.01071101
-16.49850843 -0.54976834 20.22196742
-0.00085364 -0.00066285 -0.00002551
0.00479172 -0.01311269 -0.01774332
-15.39760453 -3.25803081 19.56549873
-0.00007555 0.00030716 0.00029782
-0.01374085 0.02126540 -0.00500545
-0.62879318 0.40214210 -4.98797838
0.00079363 -0.00045779 0.00049488
0.00517482 0.02504879 -0.00112815
-0.65058556 3.47800559 -4.98371045
-0.00011872 0.00021698 0.00010757
-0.02412504 0.01083589 -0.00005642
23.54894805 -8.66797125 -9.11653399
-0.00029543 0.00048091 0.00027076
-0.00389478 -0.02728387 -0.00738743
24.04367466 -6.00952238 -8.75600607
0.00017352 -0.00015755 0.00014180
0.00234261 0.02584285 0.00768293
0.24340693 -6.10802625 5.69180573
-0.00014710 -0.00048670 -0.00029966
0.01005861 0.00426308 -0.00139635
0.33109369 -5.83129362 8.67243320
0.00083601 -0.00151808 -0.00020697
0.00682870 0.00398438 -0.00900759
-0.66534429 -2.79777061 -19.00366682
0.00094268 -0.00060414 -0.00079921
0.00300287 -0.01167974 -0.00469424
-2.99286816 -1.80338027 -20.58803931
0.00039215 -0.00013978 0.00033747
-0.01251526 -0.01465856 -0.01281115
2.55898477 2.52049566 -10.97475395
-0.00002390 0.00101554 0.00055008
0.01318405 -0.00351507 0.02762219
2.18240809 2.62446488 -7.93084193
-0.00043888 -0.00063186 0.00082287
-0.00506435 -0.00956102 -0.00254278
-2.26441042 16.68496690 12.41119772
-0.00020202 0.00071575 -0.00000218
-0.02838751 0.01684658 -0.00188927
-3.47186320 18.98819996 13.60203779
-0.00015436 -0.00119494 0.00071501
-0.00151938 0.01711478 0.01950615
-5.05009493 6.40276321 -11.52230714
-0.00141313 0.00066744 0.00123822
0.01754850 -0.03140547 -0.00192125
-3.72159827 3.70059122 -12.44520089
-0.00086932 -0.00107589 -0.00064083
-0.00688612 0.02237050 0.01721906
-7.72257658 2.10388521 -7.38695672
0.00058066 0.00003061 -0.00036291
-0.00275699 -0.00899833 0.00678229
-6.27725371 3.39148185 -9.38070773
0.00121204 -0.00009340 -0.00011511
0.01026947 0.00666086 -0.00834818
2.74639125 28.22450809 7.07369865
0.00048616 -0.00059889 0.00078538
-0.00146827 0.00472521 -0.01152879
0.80283605 28.24345959 9.26660500
0.00021544 0.00109285 0.00010724
-0.00362380 0.00353464 -0.00357277
10.66416825 -7.48095631 -0.80376926
0.00034154 -0.00032745 0.00034340
-0.00735223 0.01124367 -0.00561209
8.59854452 -7.14239307 -2.92660034
-0.00050545 0.00008294 -0.00017169
0.00170599 -0.00513369 0.00666170
-6.95434456 0.58488087 6.40645312
0.00042317 -0.00040242 0.00089247
-0.00011872 -0.01186663 0.00833887
-9.65024059 -0.54665938 6.99531476
-0.00006971 0.00090536 0.00038972
0.01964025 0.02608666 -0.01337144
21.74755695 10.19763329 9.88099369
-0.00041164 0.00071738 0.00037968
-0.00516680 0.00439342 0.00673394
21.01145779 12.49267800 8.26021914
-0.00012554 0.00100858 0.00003555
-0.01456708 -0.01405432 0.00588501
-1.44887714 -3.61819116 -26.53383247
0.00036721 0.00118226 -0.00039213
0.00423924 0.00919040 0.00125352
-3.91702328 -2.14675915 -26.84249665
0.00089048 0.00025616 -0.00010236
-0.03990138 0.00232584 0.01440114
-13.89388906 7.16525721 9.20808382
0.00031968 0.00008436 0.00003391
-0.00466518 0.00753683 -0.00180110
-15.47809656 7.09823152 6.72480331
-0.00017480 0.00014954 0.00081534
-0.00443726 0.01521481 -0.00245516
-11.27608589 7.46854849 -3.05531559
0.00011057 0.00071984 0.00136242
-0.00376169 0.00098893 -0.00435981
-8.44543527 8.28962342 -3.63829385
0.00036190 -0.00042441 0.00066134
-0.01768872 -0.00696116 0.00500911
-1.03010299 -17.14735003 23.22329277
0.00093265 0.00047371 -0.00075031
-0.00620305 -0.00419269 -0.00122290
-3.60439973 -15.62445385 23.99959593
-0.00170750 0.00053516 -0.00031125
0.02218407 -0.00379285 -0.00476021
-2.24459344 6.17009467 -7.99944815
0.00042981 0.00057568 -0.00007144
-0.00885984 -0.00206875 -0.01744636
-4.20591884 7.21614942 -6.08099989
-0.00064782 -0.00122822 0.00053088
-0.02941129 0.01844507 0.00055330
-21.35990404 30.02397400 3.05020314
0.00008774 -0.00100749 0.00013794
0.01551317 0.01712142 0.01210573
-21.22866567 31.30760812 5.71982027
0.00025816 -0.00082316 0.00058898
0.02114542 -0.00154804 -0.03086206
7.08634874 -0.33578812 6.03561731
-0.00034620 -0.00039063 -0.00073580
-0.00119464 0.02473173 0.01452350
7.68093828 1.98962393 8.05872851
-0.00003281 0.00032198 -0.00001868
-0.00922905 0.01201927 -0.01075821
7.09232108 12.69939919 -14.12824454
0.00035352 0.00031292 0.00025426
-0.00002630 0.00573025 0.01273903
4.34216950 11.80514165 -14.93082687
0.00107116 -0.00017507 0.00065691
0.03881926 -0.00358046 0.03229834
14.44916338 3.70668153 -3.05558876
-0.00024786 -0.00015053 0.00049388
-0.00109603 0.00168410 0.00573386
15.00504871 1.04167040 -1.94556150
-0.00019048 0.00062479 -0.00015512
0.00440764 0.01798099 0.00201196
-2.63663376 13.16941970 -0.39996459
-0.00021308 -0.00049491 -0.00039944
0.00132269 -0.00252374 -0.00040051
-5.37394376 12.90345147 0.60309276
-0.00058914 0.00044365 -0.00016500
-0.00164034 0.00294864 -0.00511717
3.67694287 10.72575673 3.54725795
-0.00031725 0.00093888 -0.00040101
0.01117395 0.03610801 -0.01649417
6.42855721 11.87214395 3.02375425
0.00061206 -0.00083431 -0.00058241
-0.01233509 0.00156088 0.00604979
25.16886410 -12.62563387 -8.27402934
0.00027474 0.00058298 0.00018850
0.00442548 -0.00310716 -0.00812380
26.57210004 -11.59206217 -11.03808570
0.00021730 -0.00039800 0.00041791
-0.02644737 0.00011000 0.02411570
14.71225719 -3.79808876 -0.46424503
0.00046452 0.00063216 0.00115552
0.02849952 0.00027020 0.00166850
17.18904241 -5.48998599 -0.65473038
-0.00058775 0.00072678 0.00041524
-0.00932627 0.00645649 -0.00103661
12.41067315 8.05914610 11.89783654
-0.00013188 -0.00001146 0.00055569
0.00199919 -0.01082826 -0.03353571
13.46622072 9.73935397 9.77875161
0.00012142 -0.00000680 0.00065486
-0.00374640 -0.00364872 -0.01319920
-0.10382401 -14.55202403 17.21403686
0.00004386 -0.00105450 -0.00003286
-0.01484265 -0.00239448 -0.00183809
1.44267062 -12.26262110 18.31410838
0.00032219 -0.00021504 0.00023611
0.00371017 -0.02443423 -0.00675616
-3.83671717 -2.34814277 -13.49383682
-0.00042277 0.00068522 0.00049846
-0.00195020 -0.00900182 0.01309131
-3.30170332 -0.96894069 -16.01614959
0.00000631 -0.00072240 -0.00034028
-0.01428959 0.00691384 0.04011008
14.36608334 -8.22832937 -10.59368137
0.00118532 0.00001617 -0.00029147
0.01197309 0.01001001 0.03543558
16.38829978 -6.38802207 -9.51907393
-0.00081713 -0.00021711 0.00033616
-0.00713869 -0.00061849 0.01879007
6.97709015 -5.92117852 8.90276922
-0.00062601 -0.00099696 -0.00061965
-0.01466218 0.01307573 -0.00204479
9.47601170 -6.36671522 7.45357623
0.00020778 -0.00136258 0.00104722
0.00512388 0.00983335 -0.00571606
-21.68991159 2.02285033 21.03103917
-0.00069799 0.00009871 -0.00015336
-0.00642292 -0.01010886 -0.02731723
-22.06512262 1.07459769 23.88295679
-0.00054193 0.00115459 0.00042418
0.00315719 0.00609764 -0.02121601
26.69018497 -2.98684604 -6.54414827
0.00005587 0.00018479 -0.00047581
0.00183690 0.00045841 0.00694589
25.21318534 -1.53484313 -8.50613517
0.00012027 0.00045265 -0.00044441
-0.00121038 0.00160063 -0.00123790
9.41615518 -15.70196245 -7.66660942
0.00078742 0.00038505 0.00008554
-0.00615857 -0.03176628 0.00858776
9.09483896 -12.89896769 -6.87269636
0.00050065 -0.00031921 0.00051541
0.00112877 -0.00158029 -0.00461230
-5.98327949 -11.23433163 18.09410753
-0.00050331 -0.00086918 0.00003165
0.01117997 0.01117832 0.01398117
-7.22063378 -11.40940024 15.55758116
0.00040804 -0.00023363 -0.00026207
-0.00230886 0.00338546 -0.00662927
8.47081942 1.54129481 -29.30051608
-0.00015780 0.00021767 0.00008408
0.00287111 -0.01986693 -0.00551115
6.29485563 3.40842122 -30.02322832
-0.00111352 0.00024414 0.00058622
0.00958983 -0.01479185 -0.00436581
12.66536767 15.49098720 14.59771124
0.00040477 0.00003484 0.00069342
-0.01538999 -0.01386015 0.00107574
11.13400173 15.85065022 17.17629270
0.00027435 -0.00026434 -0.00079507
-0.00428534 -0.00424572 -0.02789861
29.31264187 4.82651586 -4.39750529
-0.00048922 -0.00010444 -0.00044515
0.00659116 -0.00577294 -0.00798668
26.91852612 6.39749478 -3.91026460
-0.00022227 -0.00010814 -0.00055707
0.00877934 0.00512552 0.00870762
-9.94117788 4.84882817 6.70866254
0.00000309 0.00001789 -0.00024601
-0.00270781 0.01156159 0.00097021
-8.72225529 13.31546478 2.59613598
-0.00007957 0.00006843 -0.00000524
-0.00302513 -0.00098687 -0.00050633
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09657900
0.30682162
408.82443003
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.594 s
total exchange = -52.3787590537 (a.u.)
total exchange computation time: 2.7025408745 s
-154.2035214459
-931.40082361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.600 s
total exchange = -52.3787064382 (a.u.)
total exchange computation time: 2.7044708729 s
-154.2051913571
Anderson extrapolation: theta=1.3660554253 (1.3660554253)
-931.40101489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3785397931 (a.u.)
total exchange computation time: 2.7038450241 s
-154.2080395837
Anderson extrapolation: theta=0.0591914946 (0.0591914946)
-931.40113298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3784519927 (a.u.)
total exchange computation time: 2.7043480873 s
-154.2086984867
Anderson extrapolation: theta=2.0875800097 (2.0000000000)
-931.40113854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.598 s
total exchange = -52.3782485048 (a.u.)
total exchange computation time: 2.7030770779 s
-154.2101148704
Anderson extrapolation: theta=0.2740344900 (0.2740344900)
-931.40114525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.604 s
total exchange = -52.3781842899 (a.u.)
total exchange computation time: 2.7022399902 s
-154.2104759660
Anderson extrapolation: theta=1.4928678453 (1.4928678453)
-931.40114679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.599 s
total exchange = -52.3781037652 (a.u.)
total exchange computation time: 2.7029669285 s
-154.2108447268
Anderson extrapolation: theta=0.3416867475 (0.3416867475)
-931.40114849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.597 s
total exchange = -52.3780935554 (a.u.)
total exchange computation time: 2.7021000385 s
-154.2108052982
Anderson extrapolation: theta=1.1157087477 (1.1157087477)
-931.40114903
-116.378875 66.928705 142.063707
559.574476 1031.414312 -411.036604
443.195602 1098.343017 -268.972897
1214.547712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 2.601 s
total exchange = -52.3780962458 (a.u.)
total exchange computation time: 2.7020549774 s
679.09897479
-1083.86672865
89.74601884
-389.11707092
-174.88424729
78.36287740
551.60419304
0.00000000
-931.40114946
3.98501697 -30.91908097 -2.26927089
0.00013830 -0.00047369 0.00008065
0.00783944 -0.01610790 0.01267285
-11.52350401 -1.77514377 -9.25616446
0.00010804 0.00036062 -0.00013021
-0.00166114 -0.00037868 0.01002572
-37.48958899 2.45577208 0.14307521
-0.00004303 0.00001453 0.00012054
0.02006599 -0.01593147 0.00140324
-11.71694608 -4.14502097 3.87808786
0.00008322 -0.00018858 0.00011435
0.00132990 0.01607812 0.00581116
4.24563322 -3.96952342 9.19291295
-0.00020911 -0.00002627 -0.00035698
0.01212058 0.01721844 -0.00287805
-32.16148995 -0.43706614 -0.37770993
-0.00049215 0.00034994 0.00035164
-0.01063849 0.01123559 0.02546529
14.48875318 12.57399371 -13.77492972
-0.00023796 -0.00018317 0.00046683
-0.01614917 0.00505180 -0.03659575
-7.71263235 6.04498344 2.58129399
-0.00001452 0.00001365 0.00018303
0.00057207 0.02776175 0.05397486
7.55826974 12.52195715 -5.88017934
-0.00023703 -0.00028601 -0.00031701
-0.05120885 -0.03412864 0.01216902
8.83871760 9.89908225 -18.95619512
-0.00005370 0.00009202 -0.00005213
-0.00201214 -0.00487402 -0.00602720
23.30254413 17.32616021 -2.20082743
-0.00029552 0.00011182 -0.00008413
-0.00802240 -0.02242873 -0.00218607
2.18221313 16.83884398 -19.59354240
-0.00014763 -0.00011769 0.00003246
-0.01496785 0.02664428 0.00873142
14.02876895 -1.15902459 -5.65806206
0.00001542 0.00025821 -0.00023880
-0.01656729 0.00523051 0.00923475
-16.05696976 -1.41646614 3.20942118
-0.00006881 0.00009285 0.00005003
-0.02505782 -0.00648338 -0.00471031
-16.61213882 -1.96680556 18.95793595
0.00061529 -0.00028632 -0.00030995
0.01340922 -0.00650418 0.02609734
0.40340049 2.03595622 -4.91563534
0.00006228 -0.00000327 0.00019228
0.01547936 -0.02626532 0.00369310
22.63222222 -7.13061231 -8.84909815
0.00025778 0.00003324 0.00007344
-0.01067835 0.00466178 -0.00126474
-0.68710579 -6.34292520 7.23972278
-0.00019950 0.00014465 0.00005010
-0.01299195 -0.01166203 0.00829679
-1.75376662 -1.39136081 -19.34697753
-0.00003831 0.00017380 -0.00003605
0.01178293 0.01544470 0.02546148
3.22509396 1.92712251 -9.29999519
0.00000722 -0.00039062 -0.00009767
-0.01012120 0.01183369 -0.01573012
-3.86507144 17.80115892 12.31605227
0.00009959 -0.00028256 -0.00001313
0.04239336 -0.02830042 -0.02387743
-3.84989095 4.98683714 -11.06871452
0.00007856 0.00008587 0.00003349
-0.00775412 0.00937613 -0.03174167
-7.97408742 2.91629586 -8.97809267
-0.00007137 -0.00034650 0.00011341
-0.00104655 0.00875558 -0.00371263
2.30663713 27.44924645 8.63542855
0.00032435 0.00009186 0.00012118
-0.00811933 -0.01448364 0.02440930
9.74854808 -6.22113495 -1.83737056
-0.00030355 -0.00003226 0.00009517
0.00598530 -0.00830854 0.00539683
-8.73819090 0.79550378 6.01300061
-0.00008101 0.00008991 0.00003200
-0.01622528 -0.02096932 0.00871256
20.34527494 10.81168485 8.86340104
0.00004271 -0.00000970 -0.00009363
0.01985290 0.01942614 -0.01602713
-2.21625420 -2.12705194 -27.31026400
0.00039260 -0.00013839 -0.00021758
0.03283597 -0.00332460 -0.02001223
-14.33097411 6.17797761 7.74837672
0.00004423 -0.00001251 0.00028282
0.01957723 -0.02653243 0.00526615
-9.56719891 7.30054636 -2.48215979
0.00006452 0.00005908 0.00017210
0.00263904 -0.00660843 0.01470906
-1.79238475 -15.48437520 23.53862860
0.00009233 0.00034070 -0.00039855
-0.01720378 0.00720883 0.01086365
-2.68913411 6.32320330 -6.26246639
-0.00009862 0.00006047 0.00017813
0.03655484 -0.01891158 0.01571088
-20.07586109 30.90728145 4.22512578
-0.00026118 -0.00059323 -0.00025355
-0.05768040 -0.02800691 0.02696600
7.61603715 0.21472762 7.76440048
0.00010240 0.00030995 -0.00032700
0.00436753 -0.02997112 -0.00284901
5.72296882 11.54638961 -13.59947598
-0.00000966 0.00004475 0.00025895
-0.04209779 -0.01736487 -0.03506423
15.52862158 2.80377099 -1.88422558
-0.00007785 -0.00028156 0.00019500
0.01002630 0.00139490 0.00265490
-4.37459806 13.41550631 -0.87102183
-0.00010896 -0.00036624 0.00031764
0.00311386 -0.00358494 -0.00413485
4.64062109 12.42169561 3.02254141
0.00007084 -0.00004574 -0.00041316
0.00060807 -0.01740795 -0.00006093
25.02428272 -11.62272620 -9.81464878
0.00019461 0.00022789 -0.00036393
0.01707494 0.00044115 -0.00985037
16.58227290 -3.72584226 -0.56819983
0.00029230 0.00012948 -0.00026683
-0.01454398 0.00311114 0.00071642
13.03924099 7.96654302 10.07530117
0.00027022 0.00005791 0.00012045
0.00070365 0.00342024 0.04149601
1.58338535 -14.00660568 17.64047683
-0.00000912 -0.00005043 -0.00005891
0.02088441 0.02989215 0.00767489
-4.08101817 -0.71981053 -14.23839474
0.00051683 -0.00008222 0.00021682
0.02044022 0.01271530 -0.06155633
15.10101355 -7.66728391 -8.89043843
-0.00004219 0.00044607 0.00009910
-0.01853535 -0.01869884 -0.04618147
8.45307297 -6.97413969 8.81467493
-0.00020030 -0.00012905 0.00012718
0.02002364 -0.01212471 0.00764046
-21.19928164 2.28713283 22.73049353
0.00019117 -0.00005261 0.00017673
0.00512132 0.00757210 0.03812277
25.69505820 -3.26046948 -8.04703373
-0.00005794 -0.00005813 -0.00021383
0.00455744 0.01217428 -0.00415332
9.85439129 -14.03594646 -8.11034145
0.00009280 0.00021413 -0.00050406
0.00659609 0.03556556 -0.00456236
-6.68914842 -12.44582975 16.96107297
-0.00018609 -0.00000432 0.00014742
0.00794581 -0.00018468 -0.02068988
8.01865985 3.26377110 -29.35631303
-0.00036376 -0.00045481 0.00004623
-0.01829522 0.03302296 -0.00093708
10.86415297 15.38623461 15.35366807
0.00018770 0.00014421 0.00013582
0.03766978 0.03436617 0.01350838
28.66271636 6.13353710 -3.30309738
0.00020190 0.00023909 -0.00019762
-0.01957412 0.00960166 0.00038412
5.46354648 -31.32138898 -3.30759814
0.00005731 -0.00058855 -0.00069086
-0.00524561 -0.00243347 -0.00061740
4.35198346 -31.47629838 -0.51250600
0.00072926 0.00064272 0.00054695
-0.00396070 0.00365406 -0.00926230
-11.69614618 -3.53039374 -8.69895715
-0.00038219 0.00086652 -0.00045123
-0.00546545 0.00500261 -0.00888107
-12.56172918 -1.40786747 -10.69987795
0.00060361 0.00063507 0.00035944
-0.00316261 -0.00609801 -0.00287886
-39.02321504 1.99357343 0.93147497
-0.00024107 -0.00022499 0.00047340
-0.01700658 -0.00451990 0.01534273
-37.92599289 3.86616293 -0.87803183
0.00008678 -0.00089806 0.00040233
-0.00256848 0.02307554 -0.01617791
-10.54086430 -5.50440373 3.57460191
-0.00066054 0.00060824 -0.00018971
0.00275607 -0.01932736 -0.00418178
-10.62158636 -2.70904487 3.63142560
-0.00078022 -0.00025934 0.00019327
0.00069127 0.00609279 0.00253299
4.87986030 -2.43332424 8.33460483
-0.00112067 -0.00037075 0.00047601
-0.00652765 -0.01344815 0.00939808
4.56937571 -3.58604418 10.98935454
-0.00106961 -0.00006891 -0.00043660
-0.00706821 -0.00434790 -0.00684459
-33.47393138 -1.68583564 -0.56577900
-0.00068423 0.00034270 0.00082336
-0.00767495 0.00451464 0.00670724
-32.68202223 0.82618062 0.95787419
-0.00022928 0.00032275 0.00000013
0.00410973 -0.02701880 -0.03202999
14.40713471 12.61066041 -15.69429371
-0.00110611 0.00010951 -0.00106860
-0.00829949 0.00418508 0.02878236
16.18000622 12.08876649 -13.51298038
-0.00092733 0.00094468 -0.00008524
0.03267585 -0.00581176 0.00653617
-8.71384881 7.20939260 1.65547243
0.00019161 0.00025561 0.00000897
-0.00748481 0.01390812 -0.01312531
-7.43699189 4.76609243 1.43770195
-0.00008423 0.00102538 -0.00018409
0.01010170 -0.04434864 -0.04294858
6.08268904 12.31018536 -6.98314736
0.00003581 0.00007382 -0.00019305
0.01440699 0.00344416 0.00518967
8.77581433 13.61501136 -6.68649836
0.00012904 -0.00013601 0.00028754
0.02089570 0.01569648 -0.01631533
8.49827134 8.88048567 -20.41177730
0.00015777 0.00008321 0.00052509
-0.00584209 -0.01412419 -0.00449027
9.91513722 11.15015213 -19.71343858
-0.00024411 -0.00045886 -0.00015588
0.02093217 0.00976410 0.00677701
23.76377518 15.52497134 -2.61940657
0.00062377 -0.00025812 -0.00034790
0.00478325 0.02811829 0.00296289
24.90907434 18.22841141 -2.24551913
-0.00047241 0.00015798 -0.00016820
-0.00152328 0.00277079 -0.01073616
1.63114102 16.82585069 -21.37444484
0.00056686 0.00015199 -0.00140752
0.00127831 -0.00236592 0.00218239
3.29022219 15.44158152 -19.26961664
0.00076072 0.00088346 -0.00104928
0.01004444 -0.01956993 -0.00081261
12.50258133 -0.67662557 -6.59312002
-0.00075810 -0.00086893 -0.00008860
0.01129857 -0.01070026 -0.01447473
13.33233491 -1.06744604 -3.97553247
0.00011532 0.00063494 -0.00070830
0.00635682 -0.00328319 0.00604651
-17.52762137 -2.44508579 2.59235467
0.00022122 0.00165150 -0.00041771
0.02496487 0.00446389 0.01863060
-14.58842702 -2.47994827 3.46391961
0.00002602 0.00000718 -0.00095004
-0.00324180 -0.01611555 -0.01065232
-16.51116616 -0.56011293 20.22104099
-0.00083334 -0.00071453 -0.00009728
0.00514379 -0.01218231 -0.01738535
-15.39915881 -3.25277181 19.56981263
-0.00012549 0.00038719 0.00027958
-0.01070541 0.01791292 -0.00392394
-0.61673021 0.39604278 -4.98058982
0.00081273 -0.00035519 0.00048938
0.00417457 0.02517757 -0.00156278
-0.65310565 3.48159240 -4.98209859
-0.00021474 0.00025592 0.00010733
-0.02287431 0.00822466 -0.00006418
23.54439724 -8.66159359 -9.11269893
-0.00030629 0.00036105 0.00023908
-0.00142127 -0.03139148 -0.00812334
24.04634929 -6.01109370 -8.75364367
0.00018483 -0.00005067 0.00017324
0.00319254 0.02647681 0.00770703
0.24150872 -6.11519615 5.68726807
-0.00010794 -0.00047022 -0.00030240
0.00911016 0.00380506 0.00005467
0.34384303 -5.85394273 8.66905264
0.00086433 -0.00150073 -0.00024250
0.00703714 0.00450750 -0.00838282
-0.65111207 -2.80719055 -19.01579877
0.00094535 -0.00063812 -0.00082073
-0.00169595 -0.00495581 -0.00584033
-2.98736945 -1.80592612 -20.58336981
0.00033539 -0.00020067 0.00027956
-0.01526610 -0.01514855 -0.01553578
2.55903027 2.53562105 -10.96565636
0.00002943 0.00100057 0.00065995
0.01292309 -0.00381092 0.02616360
2.17566971 2.61469406 -7.91857677
-0.00045327 -0.00067506 0.00080505
-0.00197822 -0.01158657 -0.00617904
-2.26831054 16.69621941 12.41110708
-0.00031273 0.00077880 -0.00001105
-0.02580721 0.01401613 -0.00245132
-3.47422517 18.97080030 13.61336061
-0.00016111 -0.00112308 0.00079554
-0.00178201 0.01806285 0.01991392
-5.07075417 6.41181251 -11.50379269
-0.00133460 0.00053061 0.00123063
0.02089448 -0.03557331 -0.00179629
-3.73484908 3.68513841 -12.45428568
-0.00089832 -0.00097406 -0.00056074
-0.00731042 0.02747508 0.02198570
-7.71395123 2.10406858 -7.39219248
0.00056936 -0.00001065 -0.00032748
-0.00277381 -0.01119667 0.01055693
-6.25875840 3.39028490 -9.38269013
0.00123399 -0.00007126 -0.00014525
0.00047310 0.00417900 -0.00640751
2.75363862 28.21566958 7.08512612
0.00048404 -0.00057348 0.00072554
0.00043188 0.00771378 -0.01776518
0.80595666 28.25996064 9.26810415
0.00020799 0.00110311 0.00008966
-0.00002723 0.00149001 -0.00503470
10.66906607 -7.48552346 -0.79879020
0.00030681 -0.00027645 0.00031546
-0.00964899 0.01371747 -0.00806572
8.59101503 -7.14130623 -2.92897154
-0.00049568 0.00006317 -0.00014201
0.00307953 -0.00454626 0.00786771
-6.94800066 0.57848086 6.42009577
0.00041325 -0.00044899 0.00092383
-0.00473914 -0.01092758 0.00700885
-9.65068443 -0.53227963 7.00075084
0.00000686 0.00100756 0.00033754
0.01784242 0.02393962 -0.01217345
21.74122409 10.20852855 9.88689529
-0.00042886 0.00073369 0.00040948
-0.00326708 0.00359152 0.00785200
21.00912826 12.50737608 8.26093268
-0.00018759 0.00094345 0.00006153
-0.01580567 -0.01782858 0.00683383
-1.44323906 -3.60017568 -26.53967603
0.00039057 0.00120560 -0.00038011
0.00719649 0.00223626 0.00462947
-3.90488884 -2.14284546 -26.84359069
0.00072034 0.00026563 -0.00004113
-0.04338237 0.00230790 0.01556934
-13.88923681 7.16675353 9.20853729
0.00030129 0.00011544 0.00002806
-0.00433625 0.00767736 -0.00106349
-15.48085452 7.10094086 6.73695815
-0.00019394 0.00021192 0.00080425
-0.00493036 0.01532126 -0.00297034
-11.27454266 7.47937634 -3.03501291
0.00009025 0.00072479 0.00134207
-0.00618511 0.00143561 -0.00559923
-8.44054884 8.28304397 -3.62822030
0.00029068 -0.00045004 0.00067822
-0.01717139 -0.00558747 0.00325353
-1.01630338 -17.14037287 23.21200064
0.00090350 0.00045914 -0.00075403
-0.00806559 -0.00293693 -0.00059945
-3.62933239 -15.61654273 23.99478125
-0.00159524 0.00051925 -0.00033578
0.03276804 -0.00399340 -0.00724646
-2.23841783 6.17866645 -8.00105443
0.00039126 0.00056799 -0.00013697
-0.01001049 -0.00169464 -0.01463012
-4.21653746 7.19829133 -6.07301967
-0.00076900 -0.00115244 0.00053274
-0.02990648 0.01864985 0.00035730
-21.35811252 30.00938625 3.05264322
0.00014892 -0.00093733 0.00018672
0.01443355 0.01722476 0.01177112
-21.22414536 31.29521323 5.72770918
0.00034497 -0.00083026 0.00045958
0.02134909 -0.00192479 -0.03247671
7.08111907 -0.34088973 6.02502529
-0.00034933 -0.00028654 -0.00066954
-0.00033535 0.02622337 0.01791248
7.68016325 1.99482195 8.05811860
-0.00007084 0.00036989 -0.00006358
-0.00938261 0.01143023 -0.01122129
7.09762313 12.70426857 -14.12404024
0.00035003 0.00033260 0.00030831
-0.00168237 0.00390531 0.01371596
4.35942644 11.80240583 -14.91998347
0.00121958 -0.00018868 0.00078057
0.03383164 -0.00308057 0.02823384
14.44541197 3.70447516 -3.04800480
-0.00025228 -0.00014288 0.00051689
-0.00106893 0.00205936 0.00552606
15.00232653 1.05159317 -1.94782669
-0.00017561 0.00068529 -0.00014656
0.00287301 0.01163865 0.00217808
-2.63978943 13.16191875 -0.40596840
-0.00020472 -0.00050624 -0.00039860
0.00277049 -0.00302379 0.00080860
-5.38283117 12.91019651 0.60046095
-0.00059616 0.00045374 -0.00018167
-0.00179473 0.00199089 -0.00304522
3.67252656 10.74094634 3.54073738
-0.00027235 0.00108223 -0.00046760
0.01080357 0.03406203 -0.01610478
6.43736018 11.85967709 3.01520352
0.00055305 -0.00082604 -0.00055707
-0.01655330 0.00249035 0.00635518
25.17312082 -12.61698442 -8.27145078
0.00029186 0.00057223 0.00015213
0.00395254 -0.00215169 -0.00967792
26.57454918 -11.59802880 -11.03107814
0.00011155 -0.00039679 0.00051355
-0.02532037 0.00048073 0.02270457
14.72009835 -3.78859815 -0.44686106
0.00057852 0.00063366 0.00116158
0.02730061 0.00046799 0.00129729
17.17994037 -5.47888640 -0.64853351
-0.00062106 0.00074236 0.00041019
-0.00697994 0.00116853 -0.00143536
12.40875615 8.05864239 11.90514424
-0.00012237 -0.00005600 0.00041437
0.00265995 -0.01097234 -0.03564261
13.46792718 9.73914012 9.78817006
0.00010699 -0.00001900 0.00059983
-0.00331733 -0.00232220 -0.01373875
-0.10362101 -14.56791487 17.21348761
-0.00001360 -0.00106071 -0.00003857
-0.01328262 -0.00064506 -0.00095478
1.44761722 -12.26659540 18.31744301
0.00033555 -0.00031395 0.00020879
0.00282911 -0.02398247 -0.00661506
-3.84311849 -2.33814037 -13.48595870
-0.00042887 0.00063801 0.00055640
-0.00103314 -0.01410421 0.01526653
-3.30204650 -0.97956477 -16.02002469
-0.00005222 -0.00069378 -0.00017348
-0.01436359 0.00709201 0.04154115
14.38423000 -8.22778008 -10.59696755
0.00123136 0.00005645 -0.00014706
0.01056552 0.00970797 0.03525511
16.37582405 -6.39129761 -9.51345572
-0.00083857 -0.00021316 0.00041039
-0.00335625 0.00254895 0.01754533
6.96725065 -5.93573222 8.89341178
-0.00068681 -0.00094090 -0.00062871
-0.01509807 0.01436743 -0.00238806
9.47928547 -6.38685263 7.46910933
0.00023614 -0.00131667 0.00101308
0.00875433 0.01263975 -0.01099562
-21.70057833 2.02402117 21.02790169
-0.00072153 0.00005910 -0.00025501
-0.00510005 -0.00927999 -0.02244022
-22.07315477 1.09210345 23.88866942
-0.00053047 0.00117635 0.00033972
0.00245020 0.00455423 -0.02012855
26.69107937 -2.98406007 -6.55107258
0.00006455 0.00018640 -0.00044609
0.00240881 0.00032562 0.00760404
25.21495231 -1.52800427 -8.51283924
0.00011686 0.00045320 -0.00044827
-0.00046126 -0.00133197 -0.00065299
9.42777769 -15.69716009 -7.66506311
0.00076223 0.00025234 0.00012076
-0.00616832 -0.03319778 0.00865012
9.10238322 -12.90380432 -6.86510661
0.00050647 -0.00032622 0.00049412
0.00172486 -0.00184978 -0.00580630
-5.99048649 -11.24702677 18.09501077
-0.00045264 -0.00081454 0.00009622
0.01362167 0.01556680 0.01762306
-7.21458394 -11.41280093 15.55344702
0.00039899 -0.00021996 -0.00028785
-0.00211961 0.00330431 -0.00599381
8.46854046 1.54395113 -29.29942384
-0.00014477 0.00012650 0.00006154
0.00350383 -0.02476095 -0.00551968
6.27844666 3.41163003 -30.01456878
-0.00106680 0.00018136 0.00057030
0.01328336 -0.01593761 -0.00342800
12.67096767 15.49108514 14.60814558
0.00034136 -0.00002180 0.00069553
-0.01565326 -0.01386933 -0.00004468
11.13798562 15.84655501 17.16351168
0.00025731 -0.00027855 -0.00089705
-0.00405381 -0.00271056 -0.02201687
29.30550548 4.82477244 -4.40442723
-0.00046153 -0.00012657 -0.00047556
0.00696648 -0.00506222 -0.00690208
26.91546110 6.39602977 -3.91835387
-0.00018144 -0.00008670 -0.00051855
0.01120938 0.00536983 0.01015216
-9.94113883 4.84912751 6.70497496
0.00000212 0.00002203 -0.00024565
-0.00271192 0.01158146 0.00107933
-8.72345404 13.31648958 2.59605656
-0.00008027 0.00006818 -0.00000532
-0.00301211 -0.00120523 -0.00019224
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09657233
0.30457713
405.83375221
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.513 s
total exchange = -52.3867894782 (a.u.)
total exchange computation time: 2.6365778446 s
-154.2445691230
-931.39795310
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.3866599295 (a.u.)
total exchange computation time: 2.6374189854 s
-154.2471053728
Anderson extrapolation: theta=1.3994373691 (1.3994373691)
-931.39816151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.3864104812 (a.u.)
total exchange computation time: 2.6368601322 s
-154.2510872914
Anderson extrapolation: theta=0.0707752859 (0.0707752859)
-931.39829681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.3863370324 (a.u.)
total exchange computation time: 2.6402959824 s
-154.2517469881
Anderson extrapolation: theta=2.2914201897 (2.0000000000)
-931.39830517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.512 s
total exchange = -52.3861722874 (a.u.)
total exchange computation time: 2.6369509697 s
-154.2531053760
Anderson extrapolation: theta=0.3939339264 (0.3939339264)
-931.39831660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.3861088672 (a.u.)
total exchange computation time: 2.6367130280 s
-154.2535402259
Anderson extrapolation: theta=1.0611898297 (1.0611898297)
-931.39831995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.3860589322 (a.u.)
total exchange computation time: 2.6360349655 s
-154.2537988492
Anderson extrapolation: theta=0.5213298057 (0.5213298057)
-931.39832265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.3860518890 (a.u.)
total exchange computation time: 2.6356058121 s
-154.2537385528
Anderson extrapolation: theta=0.8143912865 (0.8143912865)
-931.39832374
-116.425066 66.991779 142.018593
559.568635 1031.423387 -411.009012
443.143568 1098.415166 -268.990419
1214.597853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.3860604504 (a.u.)
total exchange computation time: 2.6384451389 s
679.22878296
-1084.14617891
89.73717985
-388.92576394
-174.90628387
78.51759643
551.60419304
0.00000000
-931.39832436
3.98712175 -30.92624839 -2.26801230
0.00014272 -0.00048196 0.00008697
0.00932187 -0.01608329 0.01192329
-11.52188986 -1.76973600 -9.25807900
0.00010794 0.00036093 -0.00012433
0.00129109 0.00161231 0.01284614
-37.49015705 2.45592865 0.14488865
-0.00003311 0.00000458 0.00012273
0.01850007 -0.02279550 0.00712217
-11.71569268 -4.14778771 3.87982554
0.00008194 -0.00017975 0.00011776
-0.00631789 0.01828600 0.00744362
4.24254338 -3.96985111 9.18754712
-0.00020357 -0.00001884 -0.00035799
0.00940511 0.01169501 -0.00105514
-32.16891328 -0.43177365 -0.37233710
-0.00049762 0.00035518 0.00036431
-0.01063072 0.00912437 0.02379564
14.48512151 12.57126560 -13.76806846
-0.00024875 -0.00017984 0.00044587
-0.02582943 0.00792588 -0.04491783
-7.71284801 6.04529520 2.58424762
-0.00001464 0.00002888 0.00021109
-0.00100972 0.03147924 0.05514974
7.55451679 12.51753534 -5.88488755
-0.00026260 -0.00030328 -0.00031043
-0.04823514 -0.03301985 0.01341097
8.83790436 9.90044381 -18.95700034
-0.00005499 0.00008956 -0.00005419
-0.00300477 -0.00470209 -0.00199411
23.29808045 17.32775093 -2.20209786
-0.00029932 0.00009944 -0.00008533
-0.00677696 -0.02568144 -0.00245488
2.17994100 16.83718148 -19.59302176
-0.00015621 -0.00010359 0.00003498
-0.01840610 0.02815370 0.00105745
14.02893632 -1.15513121 -5.66160851
0.00000675 0.00026093 -0.00023500
-0.01715710 0.00532357 0.00556698
-16.05809861 -1.41509842 3.21015341
-0.00008052 0.00009039 0.00004803
-0.02045949 -0.00308868 -0.00304296
-16.60285780 -1.97112538 18.95338742
0.00062119 -0.00028898 -0.00029716
0.00954093 -0.00385724 0.02363521
0.40439439 2.03580592 -4.91273692
0.00007004 -0.00001586 0.00019420
0.01469703 -0.02272721 0.00379771
22.63604773 -7.13009572 -8.84800145
0.00025167 0.00003645 0.00007296
-0.01307615 0.00782624 -0.00060972
-0.69014848 -6.34080046 7.24050634
-0.00020593 0.00013866 0.00005386
-0.01198558 -0.01161442 0.00630018
-1.75429581 -1.38869426 -19.34742005
-0.00003055 0.00018016 -0.00002213
0.01837806 0.00930356 0.02865230
3.22516328 1.92130888 -9.30152092
0.00000135 -0.00038405 -0.00010431
-0.01270821 0.01370453 -0.01008909
-3.86341405 17.79681140 12.31576322
0.00012063 -0.00029610 -0.00002522
0.03942430 -0.02437115 -0.02313688
-3.84874251 4.98816142 -11.06833460
0.00007387 0.00009044 0.00001617
-0.01046692 0.00839562 -0.03560763
-7.97516208 2.91113217 -8.97640590
-0.00006958 -0.00034086 0.00011012
0.00802046 0.01315910 -0.00904797
2.31147113 27.45056842 8.63734038
0.00031880 0.00008422 0.00013561
-0.01346452 -0.01521606 0.03171053
9.74401791 -6.22165096 -1.83592225
-0.00030028 -0.00003719 0.00009825
0.00674249 -0.01086258 0.00658648
-8.73946856 0.79677158 6.01351428
-0.00008756 0.00007953 0.00003644
-0.00926706 -0.01940481 0.00853412
20.34599220 10.81161425 8.86193475
0.00005269 0.00000130 -0.00010239
0.01895321 0.02337567 -0.01803389
-2.21023854 -2.12914065 -27.31360482
0.00040901 -0.00013829 -0.00022894
0.03099260 0.00372139 -0.02419377
-14.33023516 6.17768757 7.75263937
0.00005424 -0.00002610 0.00028541
0.01934791 -0.02629547 0.00478433
-9.56622098 7.30140714 -2.47952162
0.00006615 0.00005514 0.00018043
0.00372623 -0.00873945 0.01770566
-1.79106620 -15.47923683 23.53269230
0.00008155 0.00034403 -0.00039260
-0.02469526 0.00573240 0.01224755
-2.69047235 6.32403740 -6.25973380
-0.00007965 0.00005074 0.00018546
0.03721126 -0.01893770 0.01279121
-20.08000136 30.89827497 4.22142653
-0.00029029 -0.00060728 -0.00023926
-0.05548879 -0.02663590 0.02862543
7.61758993 0.21926130 7.75948449
0.00010449 0.00029446 -0.00032902
0.00375971 -0.03025680 -0.00502383
5.72266160 11.54699393 -13.59572704
-0.00002928 0.00003602 0.00024187
-0.03423008 -0.01658475 -0.03135718
15.52749245 2.79955298 -1.88129041
-0.00007227 -0.00027915 0.00019634
0.01167926 0.00796462 0.00258195
-4.37622051 13.40999882 -0.86627322
-0.00010763 -0.00036781 0.00031469
0.00208405 -0.00251188 -0.00734435
4.64168610 12.42094235 3.01634372
0.00007227 -0.00005442 -0.00041340
0.00492738 -0.01636174 -0.00084717
25.02726768 -11.61930618 -9.82014580
0.00020299 0.00022768 -0.00036804
0.01551513 -0.00124429 -0.00611581
16.58660135 -3.72388805 -0.57219950
0.00028476 0.00013233 -0.00026641
-0.01480513 0.00797485 0.00092634
13.04329705 7.96742481 10.07726806
0.00027039 0.00005928 0.00014228
-0.00003573 0.00193813 0.04337134
1.58332905 -14.00724680 17.63962277
0.00000131 -0.00003578 -0.00005531
0.01968174 0.02706025 0.00631473
-4.07318685 -0.72099471 -14.23537985
0.00052702 -0.00007450 0.00018445
0.01918472 0.01726800 -0.06434029
15.10030917 -7.66066502 -8.88913004
-0.00005234 0.00043553 0.00007593
-0.02093781 -0.02228365 -0.04392679
8.45014571 -6.97612215 8.81661209
-0.00019092 -0.00013602 0.00013250
0.01646395 -0.01498068 0.01305201
-21.19639432 2.28637288 22.73329151
0.00019368 -0.00004852 0.00019449
0.00463787 0.00831815 0.03093737
25.69420661 -3.26129443 -8.05025717
-0.00005588 -0.00005107 -0.00021624
0.00348920 0.01528219 -0.00521892
9.85580874 -14.03259733 -8.11791994
0.00009592 0.00023239 -0.00050605
0.00552041 0.03544340 -0.00318169
-6.69190910 -12.44589533 16.96320440
-0.00018258 -0.00000537 0.00013577
0.00570214 -0.00386258 -0.02459507
8.01313290 3.25707631 -29.35562316
-0.00037410 -0.00043648 0.00004553
-0.02191858 0.03824538 -0.00180453
10.86711382 15.38853032 15.35575741
0.00020675 0.00016135 0.00014134
0.03639817 0.03227987 0.00796423
28.66566938 6.13716053 -3.30606019
0.00019132 0.00024370 -0.00019802
-0.02158661 0.00832934 -0.00195129
5.46424541 -31.33029179 -3.31797993
0.00003239 -0.00059740 -0.00068965
-0.00695332 -0.00189956 0.00120821
4.36280105 -31.46654566 -0.50458555
0.00071261 0.00065716 0.00050683
-0.00419087 0.00341706 -0.01037606
-11.70204656 -3.51724270 -8.70599777
-0.00040479 0.00087985 -0.00048530
-0.00559708 0.00152611 -0.00779504
-12.55277202 -1.39852825 -10.69457463
0.00058482 0.00061273 0.00033954
-0.00603259 -0.00483835 -0.00686082
-39.02735216 1.99006006 0.93904611
-0.00030383 -0.00024116 0.00053228
-0.01371700 -0.00339474 0.01347895
-37.92476989 3.85339918 -0.87249267
0.00007252 -0.00079246 0.00032785
-0.00441092 0.02861389 -0.02027883
-10.55068796 -5.49587233 3.57162808
-0.00063979 0.00051840 -0.00020927
0.00739960 -0.02464913 -0.00539225
-10.63326850 -2.71274829 3.63440223
-0.00077171 -0.00022730 0.00020274
0.00347522 0.00959161 0.00210403
4.86285016 -2.43929751 8.34203299
-0.00114246 -0.00041491 0.00050710
-0.00413510 -0.00816941 0.00581838
4.55311497 -3.58721103 10.98259580
-0.00109741 -0.00008669 -0.00046135
-0.00653940 -0.00435578 -0.00526945
-33.48443002 -1.68055687 -0.55322308
-0.00071397 0.00036222 0.00085023
-0.00688387 0.00504086 0.00644730
-32.68533544 0.83019387 0.95689459
-0.00021367 0.00021564 -0.00012702
0.00352887 -0.02541198 -0.03020986
14.39028872 12.61243133 -15.70944081
-0.00113793 0.00012593 -0.00093605
-0.00727609 0.00385397 0.03610370
16.16709761 12.10275859 -13.51405876
-0.00077619 0.00091615 -0.00005722
0.04130909 -0.00815202 0.00718211
-8.71120409 7.21365296 1.65520472
0.00016250 0.00031156 -0.00004223
-0.00676128 0.01347884 -0.01193331
-7.43794584 4.78011421 1.43362457
-0.00004110 0.00083745 -0.00036445
0.01101302 -0.04764540 -0.04534032
6.08366763 12.31139815 -6.98588410
0.00009096 0.00008739 -0.00017545
0.01259179 0.00320060 0.00342466
8.77839027 13.61345219 -6.68268515
0.00021287 -0.00007303 0.00022154
0.02013914 0.01513430 -0.01599443
8.50045881 8.88130104 -20.40403861
0.00013182 0.00002022 0.00050061
-0.00685944 -0.01671239 -0.00748867
9.91211694 11.14356844 -19.71556911
-0.00015436 -0.00041391 -0.00013047
0.02300107 0.01224025 0.00566030
23.77327828 15.52196113 -2.62453433
0.00064124 -0.00013899 -0.00033442
0.00377075 0.03019942 0.00363934
24.90194149 18.23086606 -2.24837119
-0.00047706 0.00017058 -0.00021237
-0.00074955 0.00339432 -0.01088373
1.63968311 16.82805806 -21.39549069
0.00057437 0.00014324 -0.00138533
0.00239531 -0.00191589 0.00867572
3.30194081 15.45423379 -19.28538071
0.00080478 0.00079985 -0.00105009
0.01152488 -0.02136167 0.00041431
12.49155608 -0.68998745 -6.59489251
-0.00070829 -0.00091261 -0.00014714
0.01308061 -0.01068044 -0.01418515
13.33425947 -1.05802261 -3.98597166
0.00013934 0.00062146 -0.00067613
0.00540007 -0.00331310 0.00970171
-17.52353808 -2.42017656 2.58665999
0.00031485 0.00166270 -0.00034485
0.02086989 0.00102124 0.01703207
-14.58813602 -2.48033441 3.44934261
0.00001210 -0.00005882 -0.00099340
-0.00357148 -0.01619118 -0.01057146
-16.52350866 -0.57120413 20.21904908
-0.00081140 -0.00075983 -0.00016506
0.00559604 -0.00999499 -0.01579653
-15.40136918 -3.24641499 19.57388605
-0.00016200 0.00045229 0.00026630
-0.00716695 0.01395273 -0.00257483
-0.60441140 0.39148650 -4.97329704
0.00082741 -0.00025291 0.00048208
0.00301476 0.02488702 -0.00200865
-0.65702762 3.48568326 -4.98049065
-0.00030464 0.00028306 0.00010709
-0.02113506 0.00506086 -0.00005395
23.53975933 -8.65713980 -9.10936171
-0.00030764 0.00022605 0.00020468
0.00075994 -0.03469170 -0.00871223
24.04921957 -6.01104236 -8.75080895
0.00019868 0.00005764 0.00020467
0.00358749 0.02654118 0.00767947
0.24016884 -6.12213286 5.68273377
-0.00007298 -0.00045564 -0.00029896
0.00800218 0.00333234 0.00162758
0.35702364 -5.87631561 8.66515833
0.00089319 -0.00148145 -0.00027568
0.00708976 0.00493359 -0.00786335
-0.63698380 -2.81691422 -19.02828865
0.00092926 -0.00064522 -0.00084648
-0.00617809 0.00147893 -0.00676610
-2.98280633 -1.80940037 -20.57965245
0.00026870 -0.00026313 0.00021188
-0.01738313 -0.01542574 -0.01759511
2.55986777 2.55051288 -10.95495531
0.00008121 0.00098486 0.00076267
0.01242173 -0.00388057 0.02411555
2.16881009 2.60421315 -7.90669031
-0.00045549 -0.00072609 0.00077298
0.00088983 -0.01339374 -0.00951994
-2.27379228 16.70833091 12.41086622
-0.00041121 0.00082930 -0.00002216
-0.02239925 0.01070234 -0.00298596
-3.47669636 18.95450764 13.62590388
-0.00016935 -0.00104889 0.00087612
-0.00225467 0.01825068 0.01953319
-5.09013287 6.41868166 -11.48538833
-0.00124361 0.00037854 0.00122304
0.02364269 -0.03886661 -0.00191913
-3.74854791 3.67136945 -12.46202304
-0.00092856 -0.00085313 -0.00046292
-0.00748980 0.03172026 0.02589748
-7.70549588 2.10356575 -7.39678123
0.00055808 -0.00006039 -0.00027751
-0.00274704 -0.01315346 0.01390775
-6.24023409 3.38934406 -9.38506523
0.00121724 -0.00005892 -0.00016766
-0.00867031 0.00186287 -0.00456229
2.76091246 28.20730382 7.09546483
0.00048947 -0.00053641 0.00064115
0.00222617 0.01042915 -0.02354144
0.80907561 28.27655300 9.26929475
0.00021492 0.00110505 0.00006623
0.00341969 -0.00054010 -0.00643535
10.67337253 -7.48924993 -0.79430545
0.00026327 -0.00021617 0.00027813
-0.01166402 0.01579017 -0.01020657
8.58367426 -7.14049801 -2.93086056
-0.00048051 0.00004572 -0.00010758
0.00434237 -0.00399538 0.00898263
-6.94194721 0.57141115 6.43416797
0.00038492 -0.00049159 0.00094963
-0.00912551 -0.00992707 0.00562064
-9.65003477 -0.51643271 7.00544085
0.00007502 0.00109968 0.00029125
0.01552308 0.02115426 -0.01048241
21.73469101 10.21964392 9.89327810
-0.00043843 0.00074681 0.00044380
-0.00141617 0.00283151 0.00894881
21.00583006 12.52098151 8.26206504
-0.00025410 0.00086412 0.00009089
-0.01675014 -0.02100289 0.00753986
-1.43715993 -3.58202314 -26.54523586
0.00042644 0.00119990 -0.00035383
0.01036179 -0.00502831 0.00823604
-3.89541315 -2.13879032 -26.84373055
0.00054005 0.00027499 0.00002383
-0.04487016 0.00227325 0.01623109
-13.88485032 7.16872037 9.20892559
0.00028427 0.00014693 0.00002511
-0.00399608 0.00773933 -0.00037864
-15.48391463 7.10458918 6.74893095
-0.00021430 0.00027406 0.00079170
-0.00503758 0.01509319 -0.00317373
-11.27337849 7.49029217 -3.01505339
0.00006069 0.00073154 0.00131701
-0.00828360 0.00186765 -0.00666714
-8.43671477 8.27612210 -3.61794735
0.00022217 -0.00046969 0.00068757
-0.01636853 -0.00402761 0.00132468
-1.00299809 -17.13357570 23.20067178
0.00086677 0.00044994 -0.00075518
-0.00991185 -0.00156639 0.00004006
-3.65225682 -15.60887635 23.98952248
-0.00144319 0.00050241 -0.00036950
0.04165901 -0.00424941 -0.00926124
-2.23285573 6.18713437 -8.00355734
0.00034783 0.00056180 -0.00019029
-0.01124657 -0.00133636 -0.01146735
-4.22898894 7.18157622 -6.06501756
-0.00088935 -0.00107740 0.00053352
-0.02900482 0.01808338 0.00002140
-21.35543643 29.99585414 3.05580471
0.00020513 -0.00086732 0.00023358
0.01308287 0.01704398 0.01116523
-21.21831665 31.28270037 5.73360772
0.00043154 -0.00083856 0.00032503
0.02102855 -0.00213696 -0.03338619
7.07586884 -0.34438422 6.01553106
-0.00034921 -0.00017698 -0.00059069
0.00039192 0.02740291 0.02068831
7.67881320 2.00072049 8.05682099
-0.00010947 0.00041451 -0.00011035
-0.00952728 0.01041340 -0.01166864
7.10282208 12.70937729 -14.11899534
0.00033987 0.00034487 0.00036629
-0.00329391 0.00209724 0.01466916
4.37875679 11.79948121 -14.90740973
0.00134525 -0.00019988 0.00088530
0.02768777 -0.00240156 0.02302951
14.44159504 3.70239501 -3.04008217
-0.00025661 -0.00013363 0.00053901
-0.00105070 0.00247140 0.00530326
14.99978042 1.06222923 -1.94995839
-0.00016746 0.00071861 -0.00013742
0.00111412 0.00467081 0.00229667
-2.64277531 13.15423249 -0.41192265
-0.00019072 -0.00051973 -0.00039290
0.00408384 -0.00358115 0.00198286
-5.39182858 12.91706356 0.59764251
-0.00060376 0.00045980 -0.00018991
-0.00192469 0.00097942 -0.00098768
3.66877236 10.75822349 3.53322981
-0.00022949 0.00121629 -0.00053223
0.01017862 0.03156499 -0.01552799
6.44514867 11.84736286 3.00704227
0.00047803 -0.00081422 -0.00053050
-0.02016993 0.00329178 0.00664915
25.17761977 -12.60846683 -8.26946533
0.00030703 0.00056521 0.00010972
0.00347512 -0.00128855 -0.01108384
26.57544654 -11.60396597 -11.02267910
0.00001145 -0.00039416 0.00060267
-0.02367974 0.00080927 0.02092079
14.72961266 -3.77907885 -0.42939759
0.00068610 0.00063643 0.00116630
0.02536033 0.00088560 0.00101477
17.17041055 -5.46771520 -0.64242461
-0.00064579 0.00073810 0.00040429
-0.00512216 -0.00325256 -0.00145404
12.40700218 8.05746623 11.91026754
-0.00011056 -0.00010094 0.00026602
0.00311825 -0.01103070 -0.03697354
13.46943033 9.73878395 9.79674652
0.00009435 -0.00002581 0.00054275
-0.00286797 -0.00101153 -0.01420290
-0.10423204 -14.58384524 17.21287986
-0.00006377 -0.00105946 -0.00004048
-0.01127461 0.00125441 0.00002003
1.45273722 -12.27203948 18.32037222
0.00034525 -0.00040954 0.00018265
0.00191731 -0.02280942 -0.00618163
-3.84958314 -2.32900235 -13.47714494
-0.00043155 0.00057127 0.00062271
-0.00028169 -0.01856742 0.01719322
-3.30326996 -0.98975421 -16.02135389
-0.00011028 -0.00066469 -0.00000254
-0.01405437 0.00715149 0.04213433
14.40302418 -8.22663583 -10.59809308
0.00127109 0.00009496 -0.00000492
0.00888019 0.00914074 0.03432037
16.36314264 -6.39441694 -9.50676222
-0.00084395 -0.00019562 0.00047914
0.00072561 0.00603869 0.01610570
6.95648586 -5.94940539 8.88390798
-0.00074806 -0.00088051 -0.00063927
-0.01488310 0.01519369 -0.00278264
9.48309576 -6.40621540 7.48396855
0.00027903 -0.00125979 0.00095801
0.01224387 0.01520615 -0.01596143
-21.71155762 2.02462328 21.02338894
-0.00073892 0.00002316 -0.00033515
-0.00340933 -0.00831008 -0.01679101
-22.08103676 1.10988832 23.89314844
-0.00052228 0.00119135 0.00026038
0.00156164 0.00278374 -0.01870732
26.69212140 -2.98125415 -6.55753087
0.00007524 0.00018740 -0.00041414
0.00282669 0.00016669 0.00803498
25.21669102 -1.52124705 -8.51958334
0.00011640 0.00044205 -0.00044979
0.00024050 -0.00412767 -0.00009139
9.43902217 -15.69439230 -7.66298667
0.00073775 0.00011673 0.00015541
-0.00581573 -0.03318431 0.00831331
9.11003320 -12.90875432 -6.85787271
0.00051453 -0.00033412 0.00046816
0.00221978 -0.00201898 -0.00690041
-5.99685866 -11.25876788 18.09699405
-0.00039262 -0.00074306 0.00017469
0.01575727 0.01942332 0.02078798
-7.20866400 -11.41599912 15.54894555
0.00039090 -0.00020680 -0.00031066
-0.00184134 0.00313785 -0.00517138
8.46647624 1.54508995 -29.29866987
-0.00012948 0.00001724 0.00003894
0.00398197 -0.02872650 -0.00554158
6.26285177 3.41386208 -30.00611933
-0.00100589 0.00011407 0.00055781
0.01653170 -0.01700273 -0.00268345
12.67560834 15.49033309 14.61857718
0.00027744 -0.00007840 0.00069285
-0.01563364 -0.01383340 -0.00126654
11.14172107 15.84229368 17.14938134
0.00024155 -0.00028600 -0.00097293
-0.00366333 -0.00093804 -0.01512849
29.29879603 4.82271877 -4.41177217
-0.00043264 -0.00014519 -0.00050106
0.00717488 -0.00405090 -0.00558079
26.91308305 6.39489385 -3.92582095
-0.00013156 -0.00006416 -0.00047445
0.01320674 0.00566485 0.01143088
-9.94111433 4.84948904 6.70129317
0.00000115 0.00002618 -0.00024524
-0.00270568 0.01161024 0.00116930
-8.72466329 13.31751018 2.59597648
-0.00008097 0.00006788 -0.00000533
-0.00302724 -0.00142084 0.00011922
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09631682
0.30200754
402.40991208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3957735198 (a.u.)
total exchange computation time: 2.6368241310 s
-154.2862746377
-931.39552524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.330 s
total exchange = -52.3954637346 (a.u.)
total exchange computation time: 2.6371071339 s
-154.2900282899
Anderson extrapolation: theta=1.4028213659 (1.4028213659)
-931.39574146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.325 s
total exchange = -52.3949420466 (a.u.)
total exchange computation time: 2.6374368668 s
-154.2957765197
Anderson extrapolation: theta=0.0727003226 (0.0727003226)
-931.39588091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.329 s
total exchange = -52.3948374063 (a.u.)
total exchange computation time: 2.6360812187 s
-154.2965834012
Anderson extrapolation: theta=2.2891162436 (2.0000000000)
-931.39588915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3946133854 (a.u.)
total exchange computation time: 2.6367261410 s
-154.2981823251
Anderson extrapolation: theta=0.3801228958 (0.3801228958)
-931.39589960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.329 s
total exchange = -52.3945359664 (a.u.)
total exchange computation time: 2.6368169785 s
-154.2986302695
Anderson extrapolation: theta=1.0066333167 (1.0066333167)
-931.39590216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3944824221 (a.u.)
total exchange computation time: 2.6377608776 s
-154.2988303660
Anderson extrapolation: theta=0.4998227396 (0.4998227396)
-931.39590386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.3944806597 (a.u.)
total exchange computation time: 2.6354489326 s
-154.2987018482
Anderson extrapolation: theta=0.8028680924 (0.8028680924)
-931.39590440
-116.465218 67.055127 141.976925
559.563383 1031.432559 -410.982075
443.098164 1098.487686 -269.005149
1214.650134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 2.331 s
total exchange = -52.3944980589 (a.u.)
total exchange computation time: 2.6360261440 s
679.36307162
-1084.43375609
89.72743869
-388.72920503
-174.92895573
78.67664826
551.60419304
0.00000000
-931.39590459
3.98929845 -30.93353989 -2.26666172
0.00014783 -0.00049018 0.00009287
0.01056390 -0.01585612 0.01102897
-11.52026574 -1.76431580 -9.25989443
0.00010934 0.00036232 -0.00011705
0.00415313 0.00377208 0.01545342
-37.49058239 2.45590935 0.14675704
-0.00002419 -0.00000869 0.00012777
0.01618691 -0.02879881 0.01249515
-11.71448803 -4.15041338 3.88162065
0.00007682 -0.00016984 0.00012200
-0.01358965 0.02022077 0.00903304
4.23952610 -3.97008858 9.18217314
-0.00019948 -0.00001442 -0.00035803
0.00648780 0.00548133 0.00089637
-32.17641862 -0.42641078 -0.36678070
-0.00050302 0.00035912 0.00037592
-0.01036779 0.00620700 0.02136886
14.48129058 12.56859864 -13.76155373
-0.00026415 -0.00017514 0.00042107
-0.03405109 0.01031922 -0.05152154
-7.71307146 6.04584982 2.58762670
-0.00001552 0.00004550 0.00023912
-0.00242085 0.03316556 0.05384453
7.55039173 12.51285879 -5.88949231
-0.00028631 -0.00031977 -0.00030326
-0.04398331 -0.03111065 0.01447038
8.83706795 9.90176908 -18.95782095
-0.00005674 0.00008722 -0.00005431
-0.00382084 -0.00438987 0.00152992
23.29356449 17.32914353 -2.20338723
-0.00030249 0.00008560 -0.00008663
-0.00554216 -0.02815942 -0.00260473
2.17752688 16.83573618 -19.59249297
-0.00016631 -0.00008895 0.00003374
-0.02087924 0.02877214 -0.00588019
14.02897132 -1.15119677 -5.66511200
-0.00000217 0.00026366 -0.00023304
-0.01752887 0.00528608 0.00204884
-16.05938529 -1.41375452 3.21086216
-0.00008960 0.00008971 0.00004701
-0.01486488 0.00044604 -0.00093498
-16.59350316 -1.97547496 18.94902124
0.00062497 -0.00029028 -0.00028570
0.00515748 -0.00120683 0.02090298
0.40550167 2.03548028 -4.90980921
0.00007733 -0.00002641 0.00019618
0.01365874 -0.01829268 0.00388568
22.63977236 -7.12951875 -8.84690946
0.00024456 0.00004118 0.00007279
-0.01457853 0.01054078 -0.00005139
-0.69328364 -6.33876531 7.24133850
-0.00021175 0.00013274 0.00005660
-0.01066123 -0.01142963 0.00435567
-1.75468322 -1.38595593 -19.34764153
-0.00001970 0.00018341 -0.00000687
0.02382645 0.00333945 0.03071676
3.22513456 1.91560098 -9.30312448
-0.00000571 -0.00037666 -0.00010799
-0.01477499 0.01505427 -0.00422617
-3.86145253 17.79227585 12.31529567
0.00013995 -0.00030731 -0.00003672
0.03569306 -0.01919435 -0.02157904
-3.84767482 4.98955047 -11.06822938
0.00006789 0.00009451 -0.00000286
-0.01279886 0.00741261 -0.03838024
-7.97617485 2.90607000 -8.97478893
-0.00006335 -0.00033311 0.00010429
0.01621889 0.01699922 -0.01363470
2.31620126 27.45177301 8.63949685
0.00031063 0.00007630 0.00015355
-0.01831254 -0.01556132 0.03804524
9.73953976 -6.22225078 -1.83442314
-0.00029666 -0.00004331 0.00010187
0.00731251 -0.01290364 0.00749051
-8.74081772 0.79788967 6.01409379
-0.00009049 0.00007011 0.00004066
-0.00213021 -0.01724257 0.00787893
20.34685567 10.81172399 8.86032934
0.00006215 0.00001416 -0.00011209
0.01782606 0.02660598 -0.01968575
-2.20398377 -2.13120065 -27.31713229
0.00042389 -0.00013455 -0.00024234
0.02684738 0.01083928 -0.02789053
-14.32934694 6.17719467 7.75693893
0.00006402 -0.00003944 0.00028768
0.01867814 -0.02558480 0.00405814
-9.56521431 7.30220050 -2.47674686
0.00006817 0.00005006 0.00019029
0.00412099 -0.01099851 0.02062715
-1.78993817 -15.47405424 23.52685049
0.00006732 0.00034661 -0.00038607
-0.03063883 0.00429390 0.01317854
-2.69152353 6.32472540 -6.25690253
-0.00006070 0.00004119 0.00019127
0.03646163 -0.01819394 0.00979664
-20.08456970 30.88906300 4.21794811
-0.00031801 -0.00062058 -0.00022423
-0.05233512 -0.02508653 0.02980372
7.61917171 0.22356155 7.75452974
0.00010630 0.00027903 -0.00033201
0.00330133 -0.02977202 -0.00656991
5.72209031 11.54747031 -13.59222001
-0.00004456 0.00002764 0.00022703
-0.02518376 -0.01601129 -0.02632096
15.52645343 2.79539642 -1.87833533
-0.00006580 -0.00027327 0.00019767
0.01346822 0.01491674 0.00257971
-4.37782689 13.40447195 -0.86158126
-0.00010680 -0.00036880 0.00031007
0.00111682 -0.00134516 -0.01061064
4.64278913 12.42006287 3.01013950
0.00007585 -0.00006239 -0.00041408
0.00898671 -0.01459785 -0.00179013
25.03037232 -11.61589576 -9.82568999
0.00021041 0.00022664 -0.00037016
0.01334040 -0.00279526 -0.00214084
16.59081558 -3.72187233 -0.57619202
0.00027715 0.00013781 -0.00026581
-0.01478280 0.01333129 0.00138319
13.04735283 7.96832155 10.07956954
0.00027024 0.00005989 0.00016483
-0.00055288 0.00040342 0.04433471
1.58342458 -14.00767915 17.63881743
0.00001103 -0.00002282 -0.00005251
0.01811958 0.02333550 0.00457826
-4.06520753 -0.72204567 -14.23286133
0.00053650 -0.00006466 0.00015099
0.01766762 0.02101511 -0.06575120
15.09944325 -7.65421804 -8.88816053
-0.00006371 0.00042316 0.00005417
-0.02325708 -0.02580098 -0.04069041
8.44734547 -6.97822017 8.81864994
-0.00018346 -0.00014424 0.00014046
0.01253964 -0.01700266 0.01790423
-21.19347122 2.28567710 22.73632817
0.00019592 -0.00004403 0.00020834
0.00407048 0.00915241 0.02293387
25.69338194 -3.26200147 -8.05352088
-0.00005430 -0.00004246 -0.00021913
0.00262447 0.01819894 -0.00602012
9.85726879 -14.02897476 -8.12552298
0.00009841 0.00025017 -0.00050725
0.00418682 0.03370109 -0.00148934
-6.69462578 -12.44599071 16.96514607
-0.00018014 -0.00000810 0.00012227
0.00378712 -0.00678319 -0.02791757
8.00743685 3.25067656 -29.35494722
-0.00038610 -0.00041582 0.00004444
-0.02475622 0.04212230 -0.00242090
10.87035546 15.39107505 15.35790820
0.00022499 0.00017733 0.00014379
0.03454682 0.02985285 0.00158006
28.66845586 6.14084821 -3.30903805
0.00017986 0.00024757 -0.00019961
-0.02296943 0.00670096 -0.00422436
5.46451819 -31.33931102 -3.32828767
0.00000090 -0.00060416 -0.00068117
-0.00846261 -0.00140873 0.00294137
4.37336180 -31.45658353 -0.49730100
0.00069513 0.00067044 0.00046253
-0.00436381 0.00308513 -0.01130989
-11.70828996 -3.50399812 -8.71351613
-0.00042799 0.00087860 -0.00051477
-0.00575787 -0.00214099 -0.00662916
-12.54418456 -1.38948555 -10.68969179
0.00055457 0.00059562 0.00030362
-0.00877336 -0.00353634 -0.01072381
-39.03232993 1.98633864 0.94744333
-0.00035191 -0.00025215 0.00058280
-0.00981761 -0.00198694 0.01125162
-37.92381721 3.84238906 -0.86819632
0.00005125 -0.00066605 0.00023810
-0.00600426 0.03326537 -0.02365687
-10.56005814 -5.48885158 3.56832378
-0.00060061 0.00040768 -0.00023378
0.01178149 -0.02955361 -0.00660546
-10.64473767 -2.71586389 3.63750781
-0.00075201 -0.00018129 0.00021051
0.00616882 0.01292907 0.00169852
4.84558659 -2.44577145 8.34981774
-0.00115412 -0.00043619 0.00052291
-0.00157307 -0.00224696 0.00192186
4.53645346 -3.58864483 10.97551411
-0.00112303 -0.00010445 -0.00047929
-0.00600282 -0.00433741 -0.00351196
-33.49535054 -1.67496916 -0.54027203
-0.00074027 0.00038391 0.00087598
-0.00599138 0.00557675 0.00615467
-32.68843238 0.83264972 0.95406355
-0.00020097 0.00011671 -0.00024514
0.00268839 -0.02301203 -0.02761127
14.37299681 12.61443845 -15.72237524
-0.00116543 0.00014098 -0.00077638
-0.00618476 0.00350955 0.04205688
16.15672067 12.11625107 -13.51469698
-0.00059270 0.00087908 -0.00002715
0.04850801 -0.00999398 0.00753623
-8.70897374 7.21873938 1.65420567
0.00013707 0.00036475 -0.00008790
-0.00568651 0.01255683 -0.01042390
-7.43822484 4.79121599 1.42676846
0.00000464 0.00064106 -0.00055032
0.01137811 -0.04848769 -0.04564363
6.08541791 12.31280711 -6.98841097
0.00013778 0.00009985 -0.00016568
0.01032812 0.00289830 0.00136117
8.78220045 13.61282054 -6.67985218
0.00029223 -0.00001363 0.00015785
0.01870707 0.01394111 -0.01517985
8.50222588 8.88109217 -20.39675886
0.00010204 -0.00005268 0.00046465
-0.00771685 -0.01897279 -0.01011583
9.91050631 11.13773491 -19.71735274
-0.00005698 -0.00035984 -0.00010929
0.02467110 0.01422515 0.00470822
23.78301248 15.52080173 -2.62943906
0.00065471 -0.00001287 -0.00031850
0.00282301 0.03153732 0.00414963
24.89476269 18.23352873 -2.25189027
-0.00047879 0.00018568 -0.00025707
-0.00009740 0.00400016 -0.01099502
1.64837201 16.83014801 -21.41600484
0.00058577 0.00013632 -0.00133773
0.00318740 -0.00147447 0.01462482
3.31436574 15.46557690 -19.30111939
0.00085364 0.00071059 -0.00104628
0.01238995 -0.02232924 0.00145353
12.48133249 -0.70400389 -6.59753435
-0.00065151 -0.00095607 -0.00020443
0.01471599 -0.01059365 -0.01385811
13.33651497 -1.04880223 -3.99581627
0.00015937 0.00060798 -0.00062935
0.00440458 -0.00328677 0.01319614
-17.51817576 -2.39520475 2.58200913
0.00039009 0.00165918 -0.00027933
0.01595796 -0.00274567 0.01504053
-14.58806390 -2.48171285 3.43411773
-0.00000349 -0.00012460 -0.00103631
-0.00406320 -0.01600933 -0.01043433
-16.53550819 -0.58290788 20.21608907
-0.00078816 -0.00079734 -0.00022748
0.00578263 -0.00836471 -0.01475469
-15.40401879 -3.23920307 19.57780166
-0.00018320 0.00050025 0.00025913
-0.00321294 0.00952248 -0.00093763
-0.59190782 0.38845546 -4.96612736
0.00083702 -0.00015272 0.00047296
0.00168923 0.02415649 -0.00245884
-0.66224488 3.49008428 -4.97888602
-0.00038663 0.00029644 0.00010691
-0.01900105 0.00148752 -0.00003326
23.53516799 -8.65481213 -9.10655843
-0.00030092 0.00007967 0.00016825
0.00252997 -0.03696219 -0.00912152
24.05230972 -6.00936441 -8.74750357
0.00021318 0.00016502 0.00023588
0.00350863 0.02602124 0.00759607
0.23931938 -6.12886534 5.67829921
-0.00004281 -0.00044298 -0.00028897
0.00676649 0.00286658 0.00326505
0.37063876 -5.89838612 8.66078210
0.00092190 -0.00146061 -0.00030699
0.00696519 0.00526578 -0.00746327
-0.62323415 -2.82654724 -19.04119321
0.00089557 -0.00062699 -0.00087549
-0.01031771 0.00744449 -0.00743418
-2.97930856 -1.81382000 -20.57701342
0.00019490 -0.00032618 0.00013740
-0.01873959 -0.01544019 -0.01886228
2.56146656 2.56516689 -10.94277630
0.00013045 0.00096936 0.00085587
0.01168233 -0.00370727 0.02150621
2.16200501 2.59291139 -7.89538728
-0.00044655 -0.00078396 0.00072800
0.00348600 -0.01493509 -0.01249745
-2.28064679 16.72109832 12.41044236
-0.00049396 0.00086525 -0.00003535
-0.01810892 0.00689557 -0.00347361
-3.47930572 18.93933350 13.63964427
-0.00017991 -0.00097545 0.00095354
-0.00291347 0.01770219 0.01836130
-5.10806259 6.42316882 -11.46710159
-0.00114262 0.00021476 0.00121451
0.02579564 -0.04130724 -0.00225236
-3.76270577 3.65954451 -12.46817325
-0.00095909 -0.00071661 -0.00035086
-0.00745625 0.03510790 0.02895641
-7.69720889 2.10225679 -7.40051764
0.00054692 -0.00011746 -0.00021506
-0.00271558 -0.01478087 0.01665909
-6.22224115 3.38851738 -9.38771994
0.00116495 -0.00005558 -0.00018282
-0.01692607 -0.00023148 -0.00286040
2.76832273 28.19957722 7.10436077
0.00050180 -0.00048915 0.00053482
0.00380947 0.01270376 -0.02851085
0.81240414 28.29311226 9.27009095
0.00023538 0.00109887 0.00003731
0.00659932 -0.00248674 -0.00771888
10.67696415 -7.49200867 -0.79044623
0.00021221 -0.00014834 0.00023288
-0.01332917 0.01741701 -0.01194593
8.57659963 -7.13993466 -2.93219908
-0.00046048 0.00003037 -0.00006886
0.00546317 -0.00351718 0.00997117
-6.93645302 0.56373304 6.44858463
0.00033943 -0.00053001 0.00096969
-0.01314110 -0.00887827 0.00420137
-9.64843376 -0.49928934 7.00948843
0.00013266 0.00117917 0.00025289
0.01269256 0.01775698 -0.00829541
21.72807113 10.23093282 9.90020936
-0.00044067 0.00075696 0.00048246
0.00031983 0.00213909 0.00997217
21.00150531 12.53329975 8.26365949
-0.00032385 0.00077309 0.00012266
-0.01739333 -0.02355943 0.00801147
-1.43044577 -3.56417877 -26.55029094
0.00047537 0.00116439 -0.00031255
0.01358596 -0.01235114 0.01196989
-3.88868737 -2.13459587 -26.84287567
0.00035804 0.00028410 0.00009038
-0.04422258 0.00218900 0.01634358
-13.88070872 7.17116152 9.20929068
0.00026864 0.00017849 0.00002482
-0.00365241 0.00770890 0.00023323
-15.48728348 7.10916251 6.76070924
-0.00023428 0.00033454 0.00077895
-0.00474436 0.01451674 -0.00306817
-11.27272199 7.50132246 -2.99550247
0.00002342 0.00073997 0.00128800
-0.00996127 0.00226213 -0.00753585
-8.43388387 8.26895338 -3.60759322
0.00015747 -0.00048262 0.00068873
-0.01529893 -0.00230584 -0.00075849
-0.99030025 -17.12687453 23.18934537
0.00082269 0.00044638 -0.00075371
-0.01166552 -0.00017699 0.00067754
-3.67262812 -15.60147040 23.98369611
-0.00125821 0.00048438 -0.00041054
0.04888833 -0.00457480 -0.01082761
-2.22798288 6.19552038 -8.00676303
0.00029929 0.00055700 -0.00023025
-0.01251618 -0.00101222 -0.00809414
-4.24321802 7.16596938 -6.05701414
-0.00100319 -0.00100611 0.00053262
-0.02671912 0.01681136 -0.00046144
-21.35195853 29.98336659 3.05965047
0.00025524 -0.00079870 0.00027736
0.01144462 0.01654896 0.01026829
-21.21119918 31.27005655 5.73746016
0.00051574 -0.00084738 0.00018829
0.02018796 -0.00218092 -0.03354989
7.07064264 -0.34619928 6.00730474
-0.00034638 -0.00006326 -0.00050175
0.00099540 0.02826503 0.02284691
7.67687925 2.00725723 8.05480824
-0.00014866 0.00045419 -0.00015889
-0.00965645 0.00901019 -0.01209543
7.10781915 12.71461455 -14.11305143
0.00032332 0.00034988 0.00042806
-0.00480527 0.00035593 0.01556400
4.39978402 11.79640942 -14.89342460
0.00144337 -0.00020790 0.00096626
0.02034126 -0.00152387 0.01660292
14.43771372 3.70046631 -3.03183452
-0.00026090 -0.00012263 0.00056019
-0.00104973 0.00291101 0.00506440
14.99730259 1.07315155 -1.95194934
-0.00016685 0.00072255 -0.00012789
-0.00081249 -0.00274349 0.00237141
-2.64551090 13.14632675 -0.41775539
-0.00017147 -0.00053529 -0.00038248
0.00533480 -0.00403432 0.00311798
-5.40094394 12.92399064 0.59476354
-0.00061206 0.00046191 -0.00018962
-0.00213657 0.00005130 0.00113159
3.66564197 10.77743513 3.52477060
-0.00018981 0.00133910 -0.00059406
0.00924165 0.02854897 -0.01473766
6.45170102 11.83525037 2.99928852
0.00038958 -0.00079944 -0.00050277
-0.02312432 0.00394459 0.00692256
25.18233171 -12.60002821 -8.26815918
0.00032026 0.00056146 0.00006198
0.00299906 -0.00054507 -0.01228311
26.57489265 -11.60985355 -11.01299791
-0.00008079 -0.00039028 0.00068368
-0.02147104 0.00109134 0.01873157
14.74068121 -3.76950528 -0.41187193
0.00078449 0.00064053 0.00117004
0.02280491 0.00112009 0.00081226
17.16056682 -5.45674333 -0.63640482
-0.00066137 0.00071251 0.00039770
-0.00250808 -0.00927351 -0.00176981
12.40543930 8.05561404 11.91312488
-0.00009730 -0.00014593 0.00011382
0.00337246 -0.01098982 -0.03752940
13.47075772 9.73836579 9.80445254
0.00008353 -0.00002724 0.00048388
-0.00242918 0.00031198 -0.01461376
-0.10553406 -14.59969874 17.21227333
-0.00010501 -0.00105022 -0.00003828
-0.00891581 0.00326810 0.00105546
1.45797471 -12.27888147 18.32292258
0.00035119 -0.00049887 0.00015888
0.00099233 -0.02092168 -0.00545577
-3.85606504 -2.32100226 -13.46727748
-0.00043155 0.00048817 0.00069610
0.00028056 -0.02211114 0.01873087
-3.30535476 -0.99950536 -16.02010084
-0.00016631 -0.00063561 0.00016907
-0.01337572 0.00707969 0.04186854
14.42236259 -8.22493138 -10.59711524
0.00130341 0.00013060 0.00013183
0.00694058 0.00830659 0.03262246
16.35050569 -6.39716618 -9.49908167
-0.00083216 -0.00016327 0.00054168
0.00504471 0.00979734 0.01451014
6.94480893 -5.96214739 8.87423364
-0.00080705 -0.00081769 -0.00065151
-0.01399611 0.01555657 -0.00320654
9.48765642 -6.42464624 7.49784955
0.00033543 -0.00119313 0.00088386
0.01536137 0.01742322 -0.02033489
-21.72274587 2.02471610 21.01784713
-0.00074887 -0.00000858 -0.00039126
-0.00146256 -0.00722735 -0.01067255
-22.08882303 1.12784380 23.89648096
-0.00051810 0.00119873 0.00018751
0.00048125 0.00083177 -0.01696374
26.69333666 -2.97843802 -6.56349673
0.00008736 0.00018770 -0.00038083
0.00310406 -0.00002128 0.00827029
25.21844446 -1.51474279 -8.52633303
0.00011868 0.00041988 -0.00044911
0.00087161 -0.00672556 0.00042629
9.44991022 -15.69365825 -7.66040074
0.00071538 -0.00001585 0.00018785
-0.00513430 -0.03171466 0.00756495
9.11781922 -12.91382806 -6.85106171
0.00052438 -0.00034249 0.00043799
0.00260167 -0.00207829 -0.00786775
-6.00226513 -11.26931860 18.10025135
-0.00032483 -0.00065739 0.00026458
0.01742686 0.02251259 0.02321393
-7.20285690 -11.41900499 15.54412714
0.00038408 -0.00019444 -0.00032980
-0.00149728 0.00291139 -0.00419589
8.46465605 1.54446824 -29.29825552
-0.00011269 -0.00010576 0.00001623
0.00423723 -0.03147917 -0.00557751
6.24827005 3.41505210 -29.99783434
-0.00093279 0.00004269 0.00054795
0.01925195 -0.01793829 -0.00214607
12.67929089 15.48873324 14.62893116
0.00021422 -0.00013474 0.00068500
-0.01531113 -0.01374768 -0.00257863
11.14523201 15.83797487 17.13432383
0.00022771 -0.00028577 -0.00101871
-0.00311058 0.00105443 -0.00728291
29.29252631 4.82041683 -4.41945913
-0.00040316 -0.00015919 -0.00052083
0.00725550 -0.00280558 -0.00409628
26.91151440 6.39410511 -3.93258747
-0.00007447 -0.00004031 -0.00042555
0.01473984 0.00600894 0.01250819
-9.94110436 4.84991290 6.69761766
0.00000018 0.00003034 -0.00024481
-0.00269546 0.01163720 0.00123736
-8.72588307 13.31852584 2.59589681
-0.00008168 0.00006753 -0.00000526
-0.00311705 -0.00159499 0.00045517
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09631847
0.29958612
399.18348619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.4037347024 (a.u.)
total exchange computation time: 2.6895129681 s
-154.3273841375
-931.39301554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.236 s
total exchange = -52.4033455376 (a.u.)
total exchange computation time: 2.6867311001 s
-154.3320536436
Anderson extrapolation: theta=1.3701943713 (1.3701943713)
-931.39323147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4027587773 (a.u.)
total exchange computation time: 2.6869540215 s
-154.3388420441
Anderson extrapolation: theta=0.0619616693 (0.0619616693)
-931.39336568
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.235 s
total exchange = -52.4026820193 (a.u.)
total exchange computation time: 2.6866970062 s
-154.3395892570
Anderson extrapolation: theta=2.1601356994 (2.0000000000)
-931.39337242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.236 s
total exchange = -52.4025248081 (a.u.)
total exchange computation time: 2.6878550053 s
-154.3410597657
Anderson extrapolation: theta=0.3272586531 (0.3272586531)
-931.39338084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.235 s
total exchange = -52.4024846807 (a.u.)
total exchange computation time: 2.6895937920 s
-154.3413988152
Anderson extrapolation: theta=1.3521195817 (1.3521195817)
-931.39338293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.235 s
total exchange = -52.4024563825 (a.u.)
total exchange computation time: 2.6874971390 s
-154.3416058629
Anderson extrapolation: theta=0.4212775618 (0.4212775618)
-931.39338489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4024695055 (a.u.)
total exchange computation time: 2.6884529591 s
-154.3414614215
Anderson extrapolation: theta=0.9900890882 (0.9900890882)
-931.39338549
-116.498739 67.116325 141.944335
559.559093 1031.441350 -410.955592
443.060354 1098.557675 -269.011257
1214.700991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1323742564
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4025002577 (a.u.)
total exchange computation time: 2.6861999035 s
679.49681352
-1084.71817637
89.71753235
-388.53524208
-174.95181298
78.83254228
551.60419304
0.00000000
-931.39338581
3.99155665 -30.94095372 -2.26522606
0.00015351 -0.00049823 0.00009830
0.01153750 -0.01544448 0.01005097
-11.51860959 -1.75886649 -9.26159064
0.00011215 0.00036484 -0.00010852
0.00677661 0.00603959 0.01772050
-37.49088284 2.45566789 0.14872183
-0.00001658 -0.00002470 0.00013545
0.01342617 -0.03346922 0.01736442
-11.71338821 -4.15288305 3.88348544
0.00006813 -0.00015906 0.00012702
-0.02017869 0.02173206 0.01051306
4.23655888 -3.97028377 9.17680609
-0.00019691 -0.00001333 -0.00035706
0.00350730 -0.00125040 0.00289274
-32.18400395 -0.42100001 -0.36105944
-0.00050824 0.00036137 0.00038611
-0.00991482 0.00253522 0.01823647
14.47719695 12.56601128 -13.75543646
-0.00028328 -0.00016940 0.00039328
-0.04031494 0.01202585 -0.05654223
-7.71331359 6.04666030 2.59142119
-0.00001706 0.00006248 0.00026585
-0.00355973 0.03283293 0.05011736
7.54592735 12.50794224 -5.89398543
-0.00030758 -0.00033511 -0.00029558
-0.03871180 -0.02854434 0.01540235
8.83620206 9.90306049 -18.95862976
-0.00005886 0.00008508 -0.00005281
-0.00439246 -0.00393448 0.00429942
23.28900577 17.33031889 -2.20469669
-0.00030500 0.00007066 -0.00008799
-0.00423275 -0.02991748 -0.00268888
2.17495168 16.83451285 -19.59200954
-0.00017742 -0.00007421 0.00002907
-0.02230528 0.02854909 -0.01228312
14.02887110 -1.14722155 -5.66859970
-0.00001125 0.00026634 -0.00023282
-0.01774829 0.00514728 -0.00120486
-16.06078666 -1.41240718 3.21156370
-0.00009559 0.00009085 0.00004713
-0.00843364 0.00398186 0.00141190
-16.58410874 -1.97983385 18.94481631
0.00062644 -0.00029014 -0.00027579
0.00057376 0.00174849 0.01766309
0.40671433 2.03501353 -4.90685152
0.00008406 -0.00003451 0.00019820
0.01251006 -0.01318562 0.00397066
22.64338453 -7.12886046 -8.84581787
0.00023692 0.00004713 0.00007287
-0.01512359 0.01262699 0.00038348
-0.69650104 -6.33681834 7.24220426
-0.00021675 0.00012691 0.00005830
-0.00877670 -0.01123126 0.00226646
-1.75488681 -1.38319184 -19.34762604
-0.00000637 0.00018368 0.00000917
0.02799956 -0.00231937 0.03163235
3.22499185 1.91000922 -9.30476065
-0.00001371 -0.00036870 -0.00010864
-0.01631544 0.01586496 0.00171230
-3.85921564 17.78759223 12.31466165
0.00015716 -0.00031557 -0.00004724
0.03123626 -0.01295071 -0.01933593
-3.84670586 4.99099671 -11.06842026
0.00006081 0.00009808 -0.00002306
-0.01473277 0.00647922 -0.04018253
-7.97706251 2.90113898 -8.97327716
-0.00005315 -0.00032355 0.00009634
0.02343270 0.02018090 -0.01729706
2.32079011 27.45285755 8.64194682
0.00030015 0.00006833 0.00017441
-0.02246700 -0.01546004 0.04308402
9.73511802 -6.22295014 -1.83286623
-0.00029281 -0.00005033 0.00010587
0.00765569 -0.01440292 0.00808666
-8.74218331 0.79887474 6.01473409
-0.00008975 0.00006193 0.00004442
0.00500423 -0.01456450 0.00675815
20.34785667 10.81203898 8.85857206
0.00007100 0.00002849 -0.00012255
0.01658302 0.02911823 -0.02098156
-2.19752189 -2.13317703 -27.32087493
0.00043612 -0.00012720 -0.00025749
0.02073055 0.01772374 -0.03104848
-14.32831463 6.17650439 7.76126980
0.00007336 -0.00005231 0.00028953
0.01763437 -0.02445441 0.00314653
-9.56417585 7.30290901 -2.47381296
0.00007023 0.00004382 0.00020162
0.00388591 -0.01328912 0.02343453
-1.78904651 -15.46883852 23.52111034
0.00005040 0.00034847 -0.00037916
-0.03517466 0.00295220 0.01368009
-2.69229341 6.32527305 -6.25399568
-0.00004246 0.00003219 0.00019556
0.03446054 -0.01681474 0.00688968
-20.08954180 30.87965750 4.21469961
-0.00034392 -0.00063305 -0.00020871
-0.04839820 -0.02341475 0.03053634
7.62077895 0.22763212 7.74952431
0.00010792 0.00026400 -0.00033563
0.00298510 -0.02865005 -0.00752896
5.72132473 11.54782317 -13.58891604
-0.00005493 0.00001948 0.00021512
-0.01511459 -0.01574027 -0.01999219
15.52551831 2.79135493 -1.87536034
-0.00005839 -0.00026376 0.00019901
0.01536247 0.02205396 0.00265224
-4.37942465 13.39893471 -0.85697117
-0.00010643 -0.00036913 0.00030382
0.00035117 0.00006355 -0.01369065
4.64396148 12.41907077 3.00392146
0.00008144 -0.00006925 -0.00041528
0.01277564 -0.01209419 -0.00289572
25.03357989 -11.61250691 -9.83125070
0.00021655 0.00022485 -0.00037020
0.01055450 -0.00415880 0.00200973
16.59491577 -3.71975375 -0.58017387
0.00026970 0.00014614 -0.00026505
-0.01419410 0.01907971 0.00157847
13.05140434 7.96922141 10.08221305
0.00026989 0.00005970 0.00018767
-0.00082560 -0.00113825 0.04447702
1.58365990 -14.00793147 17.63804740
0.00001988 -0.00001197 -0.00005069
0.01631251 0.01887958 0.00251721
-4.05709191 -0.72293451 -14.23085006
0.00054515 -0.00005315 0.00011717
0.01596576 0.02374026 -0.06576020
15.09839791 -7.64797011 -8.88750493
-0.00007624 0.00040902 0.00003428
-0.02546138 -0.02921232 -0.03664700
8.44464197 -6.98044937 8.82082591
-0.00017803 -0.00015328 0.00015070
0.00855490 -0.01816170 0.02192669
-21.19051672 2.28505193 22.73954176
0.00019786 -0.00003909 0.00021797
0.00347439 0.01006468 0.01452417
25.69257751 -3.26256812 -8.05683104
-0.00005311 -0.00003241 -0.00022236
0.00200770 0.02088711 -0.00652749
9.85876113 -14.02509220 -8.13313750
0.00010018 0.00026669 -0.00050751
0.00268327 0.03053151 0.00046763
-6.69731325 -12.44613842 16.96687238
-0.00017855 -0.00001209 0.00010726
0.00240248 -0.00873661 -0.03045095
8.00154982 3.24460178 -29.35428996
-0.00039934 -0.00039355 0.00004309
-0.02671656 0.04447170 -0.00281333
10.87386363 15.39385009 15.36007118
0.00024216 0.00019199 0.00014279
0.03219715 0.02719033 -0.00549160
28.67106515 6.14458759 -3.31204850
0.00016784 0.00025055 -0.00020237
-0.02378422 0.00490273 -0.00649249
5.46427233 -31.34841658 -3.33841514
-0.00003629 -0.00060902 -0.00066587
-0.00973988 -0.00097283 0.00455161
4.38365510 -31.44643232 -0.49070959
0.00067707 0.00068221 0.00041479
-0.00447869 0.00267365 -0.01206069
-11.71488625 -3.49088476 -8.72144076
-0.00045190 0.00086218 -0.00053939
-0.00594586 -0.00589394 -0.00542258
-12.53613480 -1.38065957 -10.68546618
0.00051363 0.00058381 0.00025250
-0.01126758 -0.00224642 -0.01429963
-39.03790940 1.98249544 0.95653012
-0.00038364 -0.00025717 0.00062384
-0.00571322 -0.00046924 0.00883773
-37.92323251 3.83341766 -0.86534980
0.00002406 -0.00052301 0.00013623
-0.00730349 0.03675430 -0.02620821
-10.56870627 -5.48364206 3.56461467
-0.00054456 0.00027832 -0.00026310
0.01565412 -0.03376777 -0.00774887
-10.65582877 -2.71818711 3.64071749
-0.00072171 -0.00012230 0.00021671
0.00866469 0.01595059 0.00133849
4.82822661 -2.45238310 8.35772027
-0.00115510 -0.00043226 0.00052237
0.00109123 0.00416881 -0.00218434
4.51942406 -3.59034445 10.96821718
-0.00114646 -0.00012210 -0.00048976
-0.00546807 -0.00430162 -0.00161504
-33.50663826 -1.66903968 -0.52694378
-0.00076286 0.00040774 0.00090045
-0.00506414 0.00609143 0.00582557
-32.69136455 0.83369525 0.94954032
-0.00019223 0.00002918 -0.00035112
0.00159068 -0.01983551 -0.02426394
14.35532586 12.61666065 -15.73273217
-0.00118838 0.00015458 -0.00059488
-0.00504850 0.00314845 0.04678581
16.14931660 12.12913106 -13.51487333
-0.00038385 0.00083581 0.00000362
0.05372613 -0.01118810 0.00752790
-8.70709190 7.22459536 1.65256777
0.00011665 0.00041331 -0.00012690
-0.00430944 0.01121327 -0.00866889
-7.43780652 4.79934615 1.41711502
0.00005075 0.00044622 -0.00073300
0.01118972 -0.04688872 -0.04377835
6.08780118 12.31439368 -6.99085441
0.00017458 0.00011099 -0.00016485
0.00768165 0.00255263 -0.00095561
8.78715712 13.61304330 -6.67794953
0.00036453 0.00003977 0.00009835
0.01668370 0.01219913 -0.01394697
8.50352002 8.87972054 -20.39009908
0.00006914 -0.00013387 0.00041906
-0.00838832 -0.02076762 -0.01220123
9.91040768 11.13277318 -19.71884781
0.00004628 -0.00029883 -0.00009155
0.02587120 0.01564243 0.00397710
23.79291969 15.52157513 -2.63408947
0.00066446 0.00011729 -0.00030082
0.00194720 0.03217443 0.00450628
24.88757793 18.23643656 -2.25608319
-0.00047815 0.00020321 -0.00030211
0.00041029 0.00457846 -0.01105356
1.65725625 16.83214760 -21.43562269
0.00060000 0.00013120 -0.00126693
0.00377537 -0.00103306 0.02003297
3.32755000 15.47555153 -19.31676899
0.00090459 0.00061923 -0.00103870
0.01254922 -0.02239064 0.00225320
12.47201079 -0.71866957 -6.60102551
-0.00058842 -0.00099903 -0.00026034
0.01616679 -0.01043464 -0.01350855
13.33904042 -1.03978328 -4.00485214
0.00017534 0.00059469 -0.00056892
0.00341302 -0.00321717 0.01638686
-17.51183542 -2.37040120 2.57828006
0.00044370 0.00163971 -0.00022277
0.01028737 -0.00678471 0.01264720
-14.58824080 -2.48407245 3.41825337
-0.00002144 -0.00018914 -0.00107856
-0.00472002 -0.01558376 -0.01024873
-16.54715333 -0.59512428 20.21222479
-0.00076418 -0.00082737 -0.00028516
0.00595598 -0.00633527 -0.01348358
-15.40686530 -3.23140755 19.58165981
-0.00018764 0.00052938 0.00025915
0.00104346 0.00473735 0.00095052
-0.57930072 0.38690487 -4.95910837
0.00084093 -0.00005639 0.00046200
0.00022147 0.02299892 -0.00290396
-0.66862664 3.49457647 -4.97728343
-0.00045934 0.00029474 0.00010682
-0.01658961 -0.00232002 -0.00000725
23.53073170 -8.65474973 -9.10431417
-0.00028798 -0.00007359 0.00013056
0.00380645 -0.03805886 -0.00933013
24.05561489 -6.00609172 -8.74373267
0.00022643 0.00026913 0.00026664
0.00297644 0.02493911 0.00746097
0.23888462 -6.13542213 5.67406476
-0.00001940 -0.00043241 -0.00027030
0.00469316 0.00230594 0.00587059
0.38468075 -5.92013391 8.65594848
0.00094993 -0.00143856 -0.00033728
0.00675194 0.00552930 -0.00736188
-0.61011684 -2.83572402 -19.05455337
0.00084592 -0.00058560 -0.00090673
-0.01398469 0.01281826 -0.00785852
-2.97695927 -1.81918591 -20.57553038
0.00011728 -0.00038867 0.00005952
-0.01925506 -0.01514557 -0.01925958
2.56378131 2.57959370 -10.92927926
0.00017623 0.00095507 0.00093740
0.01072753 -0.00328572 0.01840483
2.15541357 2.58069432 -7.88485018
-0.00042763 -0.00084755 0.00067170
0.00577379 -0.01619235 -0.01506305
-2.28861113 16.73428833 12.40980561
-0.00055739 0.00088469 -0.00005042
-0.01293852 0.00261936 -0.00390131
-3.48209364 18.92524426 13.65450995
-0.00019346 -0.00090557 0.00102466
-0.00371955 0.01650462 0.01645659
-5.12441140 6.42512442 -11.44895288
-0.00103397 0.00004261 0.00120429
0.02738762 -0.04295831 -0.00275140
-3.77732059 3.64987119 -12.47254883
-0.00098912 -0.00056791 -0.00022794
-0.00724625 0.03768238 0.03121441
-7.68908832 2.10004198 -7.40323307
0.00053582 -0.00018037 -0.00014289
-0.00271958 -0.01601450 0.01867168
-6.20528554 3.38767652 -9.39054994
0.00108102 -0.00006028 -0.00019138
-0.02415714 -0.00206930 -0.00132992
2.77596647 28.19262918 7.11150939
0.00051995 -0.00043380 0.00041047
0.00507693 0.01439179 -0.03236074
0.81613711 28.30951912 9.27041409
0.00026809 0.00108503 0.00000348
0.00940959 -0.00428747 -0.00884040
10.67973888 -7.49370000 -0.78731913
0.00015507 -0.00007477 0.00018132
-0.01464378 0.01859278 -0.01328984
8.56985981 -7.13958685 -2.93292649
-0.00043622 0.00001680 -0.00002641
0.00641074 -0.00312850 0.01080916
-6.93176420 0.55551082 6.46325879
0.00027850 -0.00056408 0.00098396
-0.01668655 -0.00780086 0.00278314
-9.64605487 -0.48105770 7.01302762
0.00017777 0.00124367 0.00022443
0.00938871 0.01381700 -0.00563762
21.72147086 10.24235282 9.90775177
-0.00043621 0.00076448 0.00052504
0.00186539 0.00154041 0.01087448
20.99611458 12.54417413 8.26574493
-0.00039566 0.00067285 0.00015591
-0.01776061 -0.02550748 0.00826371
-1.42289898 -3.54709135 -26.55461243
0.00053727 0.00109956 -0.00025611
0.01671752 -0.01938372 0.01565863
-3.88467183 -2.13026726 -26.84101915
0.00018288 0.00029273 0.00015628
-0.04152184 0.00203673 0.01591532
-13.87679098 7.17407512 9.20967007
0.00025442 0.00020972 0.00002684
-0.00331190 0.00757873 0.00075791
-15.49094310 7.11462551 6.77229950
-0.00025228 0.00039201 0.00076722
-0.00406758 0.01361093 -0.00267645
-11.27267598 7.51249139 -2.97641340
-0.00001955 0.00074992 0.00125590
-0.01107050 0.00260577 -0.00817527
-8.43199058 8.26164335 -3.59728557
0.00009759 -0.00048831 0.00068113
-0.01401628 -0.00047497 -0.00296188
-0.97831734 -17.12018421 23.17806048
0.00077165 0.00044847 -0.00074968
-0.01331857 0.00119899 0.00129521
-3.69000325 -15.59434482 23.97720617
-0.00104683 0.00046496 -0.00045718
0.05458651 -0.00493409 -0.01199930
-2.22387711 6.20384437 -8.01046478
0.00024558 0.00055342 -0.00025629
-0.01377290 -0.00073897 -0.00465122
-4.25908460 7.15139284 -6.04903900
-0.00110515 -0.00094118 0.00052949
-0.02319217 0.01497280 -0.00107142
-21.34777924 29.97189327 3.06412554
0.00029805 -0.00073275 0.00031686
0.00950994 0.01573331 0.00906868
-21.20284446 31.25727907 5.73925644
0.00059547 -0.00085604 0.00005241
0.01884099 -0.00206034 -0.03296479
7.06547744 -0.34628209 6.00047861
-0.00034133 0.00005333 -0.00040525
0.00147816 0.02880613 0.02438785
7.67435350 2.01434616 8.05205421
-0.00018834 0.00048746 -0.00020913
-0.00976840 0.00727778 -0.01249492
7.11252173 12.71987362 -14.10615365
0.00030091 0.00034800 0.00049331
-0.00616736 -0.00127443 0.01637611
4.42205789 11.79324423 -14.87842195
0.00150912 -0.00021192 0.00101845
0.01184521 -0.00044479 0.00894534
14.43376807 3.69871602 -3.02327649
-0.00026522 -0.00010977 0.00058036
-0.00106721 0.00338645 0.00481037
14.99477497 1.08390572 -1.95379496
-0.00017430 0.00069587 -0.00011811
-0.00283320 -0.01031408 0.00241153
-2.64791955 13.13817377 -0.42339703
-0.00014769 -0.00055266 -0.00036761
0.00631000 -0.00446870 0.00416008
-5.41019024 12.93092086 0.59195392
-0.00062115 0.00046029 -0.00018088
-0.00231612 -0.00084605 0.00314432
3.66307796 10.79839643 3.51540816
-0.00015472 0.00144845 -0.00065221
0.00793800 0.02497836 -0.01372908
6.45683617 11.82337962 2.99195903
0.00029043 -0.00078230 -0.00047398
-0.02541052 0.00444450 0.00717061
25.18722744 -12.59162299 -8.26760581
0.00033154 0.00056045 0.00000986
0.00252499 0.00005232 -0.01323321
26.57302289 -11.61567423 -11.00216874
-0.00016280 -0.00038533 0.00075489
-0.01867501 0.00132834 0.01612670
14.75314739 -3.75986307 -0.39429648
0.00087111 0.00064578 0.00117323
0.01959625 0.00145134 0.00075278
17.15056937 -5.44633980 -0.63049350
-0.00066651 0.00066284 0.00038990
-0.00000656 -0.01504276 -0.00204996
12.40408311 8.05308833 11.91368218
-0.00008341 -0.00019057 -0.00003913
0.00342997 -0.01086210 -0.03734259
13.47193624 9.73796675 9.81126294
0.00007447 -0.00002340 0.00042348
-0.00200724 0.00156762 -0.01495239
-0.10738249 -14.61535194 17.21173148
-0.00013616 -0.00103260 -0.00003179
-0.00633136 0.00535728 0.00212081
1.46327303 -12.28700567 18.32513858
0.00035334 -0.00057911 0.00013866
0.00005754 -0.01835704 -0.00444301
-3.86252975 -2.31435728 -13.45626208
-0.00042966 0.00039291 0.00077474
0.00064827 -0.02451917 0.01976797
-3.30825931 -1.00882262 -16.01628182
-0.00021887 -0.00060711 0.00033787
-0.01235102 0.00687192 0.04075946
14.44212637 -8.22271785 -10.59413810
0.00132736 0.00016230 0.00026013
0.00478460 0.00720890 0.03018029
16.33817792 -6.39931498 -9.49051184
-0.00080245 -0.00011520 0.00059751
0.00949862 0.01373454 0.01281988
6.93227424 -5.97393599 8.86436279
-0.00086111 -0.00075425 -0.00066549
-0.01246239 0.01549736 -0.00363950
9.49315853 -6.44200927 7.51048431
0.00040335 -0.00111830 0.00079355
0.01788902 0.01920600 -0.02387105
-21.73402375 2.02436598 21.01165124
-0.00075052 -0.00003579 -0.00042206
0.00065624 -0.00609389 -0.00440689
-22.09657982 1.14585026 23.89877384
-0.00051866 0.00119786 0.00012230
-0.00075485 -0.00125795 -0.01496056
26.69474216 -2.97562318 -6.56895573
0.00010027 0.00018716 -0.00034704
0.00321482 -0.00024051 0.00826854
25.22025132 -1.50865072 -8.53305660
0.00012335 0.00038764 -0.00044642
0.00141568 -0.00905692 0.00088829
9.46048361 -15.69486787 -7.65735119
0.00069635 -0.00013973 0.00021642
-0.00418270 -0.02892242 0.00642039
9.12576468 -12.91902916 -6.84473289
0.00053555 -0.00035087 0.00040417
0.00286605 -0.00201965 -0.00869154
-6.00660357 -11.27848962 18.10493135
-0.00025135 -0.00056099 0.00036256
0.01854410 0.02467484 0.02474926
-7.19714157 -11.42183244 15.53905158
0.00037878 -0.00018309 -0.00034469
-0.00109681 0.00264828 -0.00309474
8.46309555 1.54191728 -29.29818300
-0.00009542 -0.00023721 -0.00000669
0.00421453 -0.03286906 -0.00563955
6.23486821 3.41514275 -29.98968087
-0.00084976 -0.00003224 0.00053985
0.02139128 -0.01874021 -0.00182038
12.68203507 15.48629085 14.63912710
0.00015294 -0.00019066 0.00067162
-0.01468909 -0.01362517 -0.00397216
11.14855232 15.83372067 17.11881997
0.00021642 -0.00027702 -0.00103080
-0.00241562 0.00322629 0.00136485
29.28670125 4.81794295 -4.42739715
-0.00037358 -0.00016774 -0.00053429
0.00722523 -0.00137562 -0.00249241
26.91084909 6.39368464 -3.93858742
-0.00001210 -0.00001497 -0.00037268
0.01579012 0.00639270 0.01337020
-9.94110886 4.85039924 6.69394879
-0.00000078 0.00003451 -0.00024436
-0.00267581 0.01166882 0.00128290
-8.72711371 13.31953594 2.59581872
-0.00008241 0.00006714 -0.00000513
-0.00315429 -0.00172632 0.00069296
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09568352
0.29770229
396.67337341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.4119264872 (a.u.)
total exchange computation time: 2.5836658478 s
-154.3640381896
-931.39123254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.4113677068 (a.u.)
total exchange computation time: 2.5822918415 s
-154.3698917240
Anderson extrapolation: theta=1.3982177363 (1.3982177363)
-931.39146017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.4105139144 (a.u.)
total exchange computation time: 2.5836501122 s
-154.3785343284
Anderson extrapolation: theta=0.0717828456 (0.0717828456)
-931.39160655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4104006569 (a.u.)
total exchange computation time: 2.5814781189 s
-154.3795100810
Anderson extrapolation: theta=2.3425801813 (2.0000000000)
-931.39161531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4101699140 (a.u.)
total exchange computation time: 2.5837759972 s
-154.3814075556
Anderson extrapolation: theta=0.4256221817 (0.4256221817)
-931.39162671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4100891091 (a.u.)
total exchange computation time: 2.5857520103 s
-154.3819999571
Anderson extrapolation: theta=0.9779238667 (0.9779238667)
-931.39162979
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.4100419294 (a.u.)
total exchange computation time: 2.5846948624 s
-154.3822681191
Anderson extrapolation: theta=0.5513852363 (0.5513852363)
-931.39163174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.150 s
total exchange = -52.4100468177 (a.u.)
total exchange computation time: 2.5828027725 s
-154.3821321287
Anderson extrapolation: theta=0.7507503788 (0.7507503788)
-931.39163238
-116.524275 67.178702 141.916365
559.556042 1031.449409 -410.929346
443.031767 1098.628110 -269.012981
1214.754648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1309031909
ExchangeOperator: bisection time: 2.152 s
total exchange = -52.4100729219 (a.u.)
total exchange computation time: 2.5832397938 s
679.62330818
-1084.98555060
89.70782949
-388.35354287
-174.97360385
78.97845459
551.60419304
0.00000000
-931.39163258
3.99390385 -30.94848669 -2.26371286
0.00015965 -0.00050601 0.00010321
0.01231702 -0.01483709 0.00906316
-11.51690115 -1.75337059 -9.26315015
0.00011622 0.00036854 -0.00009894
0.00904758 0.00835313 0.01953809
-37.49107972 2.45516822 0.15082057
-0.00001050 -0.00004278 0.00014538
0.01019929 -0.03682410 0.02126412
-11.71244406 -4.15518506 3.88543134
0.00005633 -0.00014762 0.00013276
-0.02573375 0.02272612 0.01178585
4.23361871 -3.97048860 9.17146134
-0.00019588 -0.00001579 -0.00035507
0.00052172 -0.00831170 0.00485364
-32.19166577 -0.41556969 -0.35519749
-0.00051316 0.00036155 0.00039451
-0.00920541 -0.00185149 0.01443254
14.47279231 12.56351670 -13.74975541
-0.00030500 -0.00016296 0.00036329
-0.04415473 0.01301917 -0.06008755
-7.71358318 6.04772407 2.59560231
-0.00001911 0.00007880 0.00029010
-0.00443326 0.03064774 0.04417131
7.54116432 12.50280548 -5.89835972
-0.00032593 -0.00034900 -0.00028744
-0.03262569 -0.02546202 0.01624018
8.83530229 9.90432155 -18.95940540
-0.00006119 0.00008320 -0.00005011
-0.00469248 -0.00336884 0.00622187
23.28441439 17.33126344 -2.20602689
-0.00030684 0.00005501 -0.00008939
-0.00291297 -0.03097107 -0.00275188
2.17220440 16.83350976 -19.59162087
-0.00018895 -0.00005981 0.00002136
-0.02254892 0.02746794 -0.01768595
14.02863396 -1.14320662 -5.67209668
-0.00002040 0.00026893 -0.00023417
-0.01783087 0.00491891 -0.00402019
-16.06225308 -1.41102913 3.21227613
-0.00009809 0.00009380 0.00004854
-0.00126885 0.00750227 0.00407119
-16.57470990 -1.98417924 18.94074765
0.00062552 -0.00028851 -0.00026765
-0.00414334 0.00459254 0.01396024
0.40802349 2.03444504 -4.90386320
0.00009020 -0.00003985 0.00020026
0.01134588 -0.00760676 0.00404801
22.64688002 -7.12810476 -8.84472332
0.00022925 0.00005397 0.00007314
-0.01471520 0.01396767 0.00065141
-0.69978615 -6.33495802 7.24308751
-0.00022078 0.00012123 0.00005899
-0.00690180 -0.01083744 0.00042412
-1.75487440 -1.38044564 -19.34736652
0.00000872 0.00018106 0.00002539
0.03068825 -0.00784958 0.03143538
3.22472328 1.90453985 -9.30638361
-0.00002237 -0.00036047 -0.00010624
-0.01734542 0.01614051 0.00762273
-3.85673777 17.78280870 12.31387846
0.00017189 -0.00032039 -0.00005646
0.02605831 -0.00579763 -0.01652036
-3.84585057 4.99249293 -11.06892113
0.00005284 0.00010119 -0.00004397
-0.01626846 0.00561265 -0.04113516
-7.97776938 2.89636364 -8.97189882
-0.00003950 -0.00031253 0.00008677
0.02966666 0.02264872 -0.01992471
2.32520564 27.45382281 8.64472918
0.00028774 0.00006053 0.00019746
-0.02578151 -0.01485632 0.04655459
9.73075534 -6.22376062 -1.83124694
-0.00028883 -0.00005798 0.00011012
0.00781995 -0.01535622 0.00840973
-8.74351029 0.79974745 6.01542652
-0.00008537 0.00005524 0.00004750
0.01202982 -0.01144500 0.00518505
20.34898560 10.81257861 8.85665291
0.00007920 0.00004393 -0.00013357
0.01532685 0.03094717 -0.02189842
-2.19090007 -2.13501667 -27.32485709
0.00044481 -0.00011647 -0.00027409
0.01304560 0.02402132 -0.03350670
-14.32714628 6.17562546 7.76562494
0.00008207 -0.00006450 0.00029088
0.01626599 -0.02294066 0.00209628
-9.56310741 7.30351500 -2.47069828
0.00007197 0.00003638 0.00021436
0.00287084 -0.01564402 0.02609445
-1.78842622 -15.46360003 23.51547573
0.00003146 0.00034967 -0.00037208
-0.03846337 0.00170720 0.01385040
-2.69279745 6.32569097 -6.25103567
-0.00002553 0.00002401 0.00019840
0.03137587 -0.01497060 0.00415828
-20.09488727 30.87007136 4.21168670
-0.00036760 -0.00064464 -0.00019293
-0.04367992 -0.02162374 0.03083474
7.62240923 0.23148166 7.74446080
0.00010941 0.00024970 -0.00033960
0.00281710 -0.02695533 -0.00789282
5.72044255 11.54805459 -13.58576631
-0.00005989 0.00001136 0.00020679
-0.00419060 -0.01581632 -0.01239902
15.52470170 2.78748359 -1.87236489
-0.00004999 -0.00025063 0.00020042
0.01728691 0.02901794 0.00280023
-4.38101970 13.39339795 -0.85246669
-0.00010639 -0.00036879 0.00029603
-0.00021918 0.00128053 -0.01658483
4.64523240 12.41798537 2.99768109
0.00008894 -0.00007463 -0.00041709
0.01637638 -0.00884005 -0.00415656
25.03686888 -11.60915013 -9.83679591
0.00022110 0.00022242 -0.00036806
0.00714254 -0.00530718 0.00630320
16.59890646 -3.71748798 -0.58414355
0.00026274 0.00015730 -0.00026424
-0.01287304 0.02430060 0.00157605
13.05544948 7.97011248 10.08519969
0.00026946 0.00005873 0.00021038
-0.00085198 -0.00263600 0.04382597
1.58402107 -14.00803815 17.63729680
0.00002773 -0.00000351 -0.00004999
0.01421860 0.01399333 0.00018051
-4.04885311 -0.72364020 -14.22934611
0.00055288 -0.00004054 0.00008373
0.01409283 0.02530938 -0.06427650
15.09715615 -7.64194754 -8.88713205
-0.00008985 0.00039318 0.00001666
-0.02745727 -0.03238126 -0.03187735
8.44200447 -6.98281868 8.82317105
-0.00017461 -0.00016270 0.00016275
0.00476845 -0.01844917 0.02491019
-21.18753541 2.28450441 22.74286739
0.00019949 -0.00003365 0.00022327
0.00287261 0.01108351 0.00605761
25.69178858 -3.26297363 -8.06019155
-0.00005217 -0.00002104 -0.00022577
0.00166217 0.02330635 -0.00674634
9.86027417 -14.02097409 -8.14074842
0.00010115 0.00028126 -0.00050671
0.00107324 0.02614402 0.00264356
-6.69998219 -12.44635352 16.96836376
-0.00017751 -0.00001682 0.00009118
0.00161753 -0.00965374 -0.03207554
7.99545668 3.23887008 -29.35365440
-0.00041334 -0.00037048 0.00004161
-0.02774529 0.04523755 -0.00296036
10.87762019 15.39683489 15.36219179
0.00025800 0.00020526 0.00013802
0.02940633 0.02438813 -0.01304452
28.67349094 6.14836479 -3.31510904
0.00015554 0.00025256 -0.00020625
-0.02403403 0.00291908 -0.00859747
5.46342955 -31.35758176 -3.34826367
-0.00007816 -0.00061218 -0.00064421
-0.01075523 -0.00057333 0.00604892
4.39367392 -31.43611725 -0.48485734
0.00065872 0.00069219 0.00036431
-0.00450182 0.00221313 -0.01264905
-11.72184693 -3.47813261 -8.72969771
-0.00047661 0.00083051 -0.00055908
-0.00615180 -0.00961195 -0.00421732
-12.52877558 -1.37197128 -10.68211693
0.00046325 0.00057713 0.00018770
-0.01339739 -0.00102518 -0.01741821
-39.04383900 1.97862349 0.96615853
-0.00039841 -0.00025581 0.00065480
-0.00151733 0.00113648 0.00631900
-37.92309542 3.82669878 -0.86410949
-0.00000761 -0.00036865 0.00002609
-0.00819773 0.03880455 -0.02770428
-10.57639502 -5.48050204 3.56043065
-0.00047419 0.00013372 -0.00029680
0.01879197 -0.03701332 -0.00874589
-10.66638884 -2.71953278 3.64400919
-0.00068180 -0.00005191 0.00022158
0.01086900 0.01850432 0.00104647
4.81093351 -2.45873926 8.36548892
-0.00114520 -0.00040157 0.00050491
0.00375534 0.01085476 -0.00636213
4.50205955 -3.59230770 10.96082128
-0.00116773 -0.00013958 -0.00049234
-0.00494367 -0.00425497 0.00035124
-33.51823633 -1.66273687 -0.51325851
-0.00078163 0.00043359 0.00092350
-0.00412288 0.00655857 0.00545901
-32.69419924 0.83352513 0.94353004
-0.00018848 -0.00004378 -0.00044190
0.00024539 -0.01587857 -0.02017544
14.33734550 12.61907581 -15.74022178
-0.00120663 0.00016668 -0.00039635
-0.00388607 0.00277592 0.05039745
16.14520521 12.14132538 -13.51458833
-0.00015869 0.00078909 0.00003357
0.05648846 -0.01168041 0.00712963
-8.70547416 7.23113857 1.65039859
0.00010230 0.00045566 -0.00015831
-0.00271502 0.00951884 -0.00670613
-7.43670242 4.80460268 1.40477857
0.00009502 0.00026246 -0.00090379
0.01048065 -0.04306405 -0.03982817
6.09065521 12.31613670 -6.99335641
0.00019997 0.00012066 -0.00017390
0.00474660 0.00218391 -0.00347659
8.79313627 13.61401369 -6.67690163
0.00042755 0.00008513 0.00004457
0.01416747 0.01000267 -0.01238058
8.50430008 8.87707613 -20.38418706
0.00003401 -0.00022130 0.00036617
-0.00880821 -0.02203000 -0.01369035
9.91189460 11.12877012 -19.72009915
0.00015333 -0.00023336 -0.00007626
0.02653362 0.01640285 0.00350409
23.80294623 15.52432038 -2.63846371
0.00067083 0.00024863 -0.00028200
0.00117226 0.03211771 0.00470731
24.88041831 18.23962499 -2.26095355
-0.00047573 0.00022301 -0.00034734
0.00077142 0.00511489 -0.01108948
1.66637187 16.83408388 -21.45401279
0.00061584 0.00012779 -0.00117549
0.00397928 -0.00063204 0.02472630
3.34150336 15.48415392 -19.33228049
0.00095471 0.00052926 -0.00102808
0.01198651 -0.02165020 0.00294685
12.46367988 -0.73397476 -6.60534455
-0.00051985 -0.00104118 -0.00031479
0.01739720 -0.01020047 -0.01314456
13.34177504 -1.03096150 -4.01288373
0.00018737 0.00058175 -0.00049635
0.00247724 -0.00311944 0.01913301
-17.50486462 -2.34601347 2.57532608
0.00047295 0.00160340 -0.00017664
0.00402663 -0.01098897 0.00993265
-14.58870697 -2.48738711 3.40176091
-0.00004232 -0.00025149 -0.00111991
-0.00550182 -0.01493561 -0.00999034
-16.55843346 -0.60772894 20.20753416
-0.00073967 -0.00084859 -0.00033712
0.00604055 -0.00405140 -0.01194922
-15.40964787 -3.22332170 19.58557621
-0.00017424 0.00053844 0.00026726
0.00551384 -0.00030069 0.00301806
-0.56668004 0.38676380 -4.95226736
0.00083857 0.00003439 0.00044924
-0.00137432 0.02143789 -0.00334223
-0.67602511 3.49892647 -4.97568129
-0.00052183 0.00027734 0.00010685
-0.01400091 -0.00619552 0.00001953
23.52652870 -8.65701981 -9.10264172
-0.00027094 -0.00022870 0.00009242
0.00453267 -0.03786636 -0.00934021
24.05910248 -6.00129061 -8.73950451
0.00023665 0.00036775 0.00029671
0.00202936 0.02333529 0.00726027
0.23873748 -6.14183761 5.67019009
-0.00000296 -0.00042373 -0.00024334
0.00335358 0.00194475 0.00732780
0.39913654 -5.94154283 8.65066367
0.00097643 -0.00141564 -0.00036715
0.00621983 0.00569092 -0.00725927
-0.59785659 -2.84411522 -19.06839515
0.00078231 -0.00052347 -0.00093915
-0.01715146 0.01759419 -0.00800907
-2.97579005 -1.82548003 -20.57522770
0.00003919 -0.00044942 -0.00001799
-0.01897460 -0.01459418 -0.01868614
2.56675351 2.59381913 -10.91465426
0.00021771 0.00094302 0.00100537
0.00957511 -0.00261300 0.01486654
2.14917599 2.56748488 -7.87523623
-0.00040005 -0.00091566 0.00060581
0.00773109 -0.01714833 -0.01719002
-2.29736842 16.74763887 12.40892977
-0.00059792 0.00088577 -0.00006709
-0.00690438 -0.00208786 -0.00425789
-3.48510952 18.91216652 13.67038419
-0.00021050 -0.00084170 0.00108668
-0.00462209 0.01476012 0.01390091
-5.13908173 6.42444727 -11.43097280
-0.00091994 -0.00013473 0.00119176
0.02843062 -0.04385358 -0.00338573
-3.79237951 3.64250729 -12.47501139
-0.00101801 -0.00041030 -0.00009738
-0.00689098 0.03946611 0.03269421
-7.68113443 2.09684569 -7.40480419
0.00052454 -0.00024740 -0.00006424
-0.00279757 -0.01679786 0.01982747
-6.18981043 3.38670885 -9.39346146
0.00096977 -0.00007195 -0.00019407
-0.03030366 -0.00364138 0.00001711
2.78392136 28.18656316 7.11667474
0.00054245 -0.00037299 0.00027323
0.00593681 0.01537475 -0.03481880
0.82044676 28.32566322 9.27019544
0.00031137 0.00106424 -0.00003453
0.01177626 -0.00589054 -0.00976535
10.68161615 -7.49425184 -0.78500651
0.00009331 0.00000263 0.00012514
-0.01558842 0.01929637 -0.01421357
8.56351288 -7.13943078 -2.93299146
-0.00040850 0.00000459 0.00001912
0.00715862 -0.00284810 0.01147743
-6.92809804 0.54681052 6.47810351
0.00020420 -0.00059373 0.00099248
-0.01968447 -0.00670968 0.00138839
-9.64310059 -0.46197927 7.01622131
0.00020851 0.00129112 0.00020771
0.00565831 0.00941166 -0.00254538
21.71498491 10.25386723 9.91596064
-0.00042595 0.00076979 0.00057095
0.00315581 0.00106098 0.01159665
20.98963538 12.55348525 8.26833682
-0.00046840 0.00056588 0.00018975
-0.01784297 -0.02685356 0.00830006
-1.41432763 -3.53119189 -26.55797427
0.00061135 0.00100736 -0.00018510
0.01954249 -0.02574885 0.01910103
-3.88320100 -2.12581383 -26.83818724
0.00002252 0.00030057 0.00021940
-0.03697687 0.00179861 0.01498353
-13.87307620 7.17745320 9.21009590
0.00024156 0.00024020 0.00003079
-0.00298142 0.00733890 0.00117690
-15.49485200 7.12092268 6.78372573
-0.00026680 0.00044515 0.00075759
-0.00303931 0.01240337 -0.00203631
-11.27330844 7.52382001 -2.95782536
-0.00006602 0.00076112 0.00122162
-0.01167920 0.00287973 -0.00860670
-8.43095630 8.25430421 -3.58715945
0.00004340 -0.00048626 0.00066433
-0.01250568 0.00147833 -0.00525984
-0.96715068 -17.11342041 23.16685498
0.00071419 0.00045601 -0.00074321
-0.01481128 0.00248975 0.00187388
-3.70403298 -15.58752164 23.96998083
-0.00081506 0.00044402 -0.00050786
0.05886696 -0.00531655 -0.01281127
-2.22061542 6.21212306 -8.01445159
0.00018687 0.00055083 -0.00026836
-0.01496727 -0.00052872 -0.00126020
-4.27637255 7.13773392 -6.04112952
-0.00119056 -0.00088462 0.00052364
-0.01861667 0.01271228 -0.00179094
-21.34301711 29.96138418 3.06915639
0.00033233 -0.00067081 0.00035083
0.00727244 0.01458525 0.00755612
-21.19333505 31.24437531 5.73903244
0.00066867 -0.00086385 -0.00007948
0.01698865 -0.00176085 -0.03159504
7.06040282 -0.34459948 5.99514713
-0.00033455 0.00017145 -0.00030372
0.00183798 0.02901665 0.02531305
7.67122908 2.02188113 8.04853442
-0.00022843 0.00051313 -0.00026091
-0.00985598 0.00528732 -0.01285222
7.11684634 12.72505458 -14.09825225
0.00027330 0.00033977 0.00056165
-0.00734759 -0.00275500 0.01707922
4.44505771 11.79005178 -14.86287106
0.00153798 -0.00021109 0.00103692
0.00228088 0.00085111 0.00009336
14.42975701 3.69717328 -3.01442366
-0.00026965 -0.00009494 0.00059947
-0.00110165 0.00387425 0.00454206
14.99207372 1.09402779 -1.95549278
-0.00019001 0.00063861 -0.00010823
-0.00485705 -0.01771809 0.00242866
-2.64994148 13.12974691 -0.42878372
-0.00012041 -0.00057168 -0.00034862
0.00704007 -0.00484158 0.00513554
-5.41957849 12.93779923 0.58933700
-0.00063092 0.00045514 -0.00016413
-0.00246343 -0.00167402 0.00505581
3.66100045 10.82088856 3.50520433
-0.00012584 0.00154197 -0.00070573
0.00619687 0.02080364 -0.01247138
6.46041401 11.81178126 2.98506900
0.00018335 -0.00076345 -0.00044424
-0.02700642 0.00478288 0.00738711
25.19227792 -12.58321457 -8.26786345
0.00034089 0.00056152 -0.00004558
0.00205402 0.00047014 -0.01390266
26.57000860 -11.62141351 -10.99035121
-0.00023211 -0.00037951 0.00081455
-0.01525267 0.00152379 0.01307579
14.76681454 -3.75013191 -0.37667490
0.00094349 0.00065242 0.00117646
0.01583467 0.00180092 0.00082532
17.14057153 -5.43685819 -0.62470781
-0.00066160 0.00058995 0.00038107
0.00241012 -0.02063722 -0.00227038
12.40293714 8.04989692 11.91195090
-0.00006969 -0.00023451 -0.00018981
0.00328434 -0.01064846 -0.03641462
13.47299173 9.73766378 9.81715696
0.00006706 -0.00001464 0.00036185
-0.00161775 0.00271875 -0.01521723
-0.10961894 -14.63067682 17.21131961
-0.00015636 -0.00100649 -0.00002092
-0.00355725 0.00742682 0.00320259
1.46857487 -12.29625490 18.32708229
0.00035122 -0.00064931 0.00012247
-0.00109651 -0.01600348 -0.00347953
-3.86895474 -2.30921498 -13.44403517
-0.00042663 0.00029049 0.00085637
0.00083305 -0.02561494 0.02018942
-3.31192081 -1.01771873 -16.00996482
-0.00026653 -0.00057980 0.00050032
-0.01097987 0.00649737 0.03876164
14.46218337 -8.22006251 -10.58931132
0.00134212 0.00018897 0.00037691
0.00243898 0.00584721 0.02698432
16.32643228 -6.40062204 -9.48115634
-0.00075455 -0.00005094 0.00064638
0.01394974 0.01772112 0.01110407
6.91897577 -5.98477482 8.85426888
-0.00090771 -0.00069181 -0.00068122
-0.01034941 0.01506688 -0.00406141
9.49975698 -6.45819525 7.52165610
0.00047995 -0.00103723 0.00069098
0.01960760 0.02047840 -0.02633950
-21.74526140 2.02364239 21.00518526
-0.00074331 -0.00005830 -0.00042740
0.00287069 -0.00492464 0.00179153
-22.10438287 1.16377962 23.90014984
-0.00052420 0.00118935 0.00006519
-0.00195771 -0.00291024 -0.01299554
26.69634468 -2.97282309 -6.57390799
0.00011330 0.00018566 -0.00031375
0.00316295 -0.00049505 0.00803024
25.22214494 -1.50311371 -8.53972573
0.00013005 0.00034650 -0.00044200
0.00186189 -0.01107774 0.00127601
9.47080067 -15.69785004 -7.65390815
0.00068161 -0.00024986 0.00023959
-0.00303054 -0.02498806 0.00492146
9.13388580 -12.92435405 -6.83893674
0.00054756 -0.00035876 0.00036731
0.00301363 -0.00184450 -0.00935143
-6.00980552 -11.28614841 18.11112813
-0.00017460 -0.00045792 0.00046469
0.01902178 0.02578030 0.02524262
-7.19149346 -11.42449759 15.53378635
0.00037518 -0.00017282 -0.00035494
-0.00066646 0.00237507 -0.00191948
8.46179335 1.53735190 -29.29845610
-0.00007890 -0.00037132 -0.00002991
0.00387457 -0.03277812 -0.00572910
6.22277736 3.41408489 -29.98163896
-0.00075925 -0.00011012 0.00053264
0.02291010 -0.01938454 -0.00170712
12.68387902 15.48301342 14.64907961
0.00009482 -0.00024601 0.00065240
-0.01376119 -0.01346667 -0.00543531
11.15172458 15.82966421 17.10339977
0.00020821 -0.00025915 -0.00100636
-0.00160493 0.00552103 0.01060187
29.28131899 4.81538476 -4.43548791
-0.00034427 -0.00017019 -0.00054107
0.00712167 0.00017396 -0.00082496
26.91115151 6.39365595 -3.94376796
0.00005349 0.00001201 -0.00031676
0.01631723 0.00681569 0.01400257
-9.94112772 4.85094823 6.69028681
-0.00000173 0.00003870 -0.00024390
-0.00264957 0.01171248 0.00130668
-8.72835532 13.32054003 2.59574305
-0.00008315 0.00006673 -0.00000494
-0.00324306 -0.00182299 0.00091320
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09499538
0.29663720
395.25419788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4196109573 (a.u.)
total exchange computation time: 2.6521320343 s
-154.3991399499
-931.39088696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4189019979 (a.u.)
total exchange computation time: 2.6552741528 s
-154.4060271395
Anderson extrapolation: theta=1.3836412814 (1.3836412814)
-931.39111215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.4178222465 (a.u.)
total exchange computation time: 2.6518228054 s
-154.4161700185
Anderson extrapolation: theta=0.0672491694 (0.0672491694)
-931.39125475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4176755274 (a.u.)
total exchange computation time: 2.6533639431 s
-154.4173437623
Anderson extrapolation: theta=2.3068690392 (2.0000000000)
-931.39126285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4173656782 (a.u.)
total exchange computation time: 2.6537418365 s
-154.4197239701
Anderson extrapolation: theta=0.4087031030 (0.4087031030)
-931.39127351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.150 s
total exchange = -52.4172485236 (a.u.)
total exchange computation time: 2.6519658566 s
-154.4205429002
Anderson extrapolation: theta=1.0447979870 (1.0447979870)
-931.39127651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4171561073 (a.u.)
total exchange computation time: 2.6552519798 s
-154.4211072000
Anderson extrapolation: theta=0.5218904367 (0.5218904367)
-931.39127870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.4171394553 (a.u.)
total exchange computation time: 2.6508569717 s
-154.4211191727
Anderson extrapolation: theta=0.7899177039 (0.7899177039)
-931.39127952
-116.541355 67.243133 141.894302
559.554423 1031.456406 -410.903189
443.013069 1098.699539 -269.008887
1214.811523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.152 s
total exchange = -52.4171508542 (a.u.)
total exchange computation time: 2.6531670094 s
679.73412413
-1085.22328003
89.70045415
-388.19243135
-174.99299598
79.10847983
551.60419304
0.00000000
-931.39127992
3.99634608 -30.95613413 -2.26212974
0.00016610 -0.00051341 0.00010760
0.01278395 -0.01392740 0.00800552
-11.51512292 -1.74781025 -9.26455892
0.00012134 0.00037342 -0.00008858
0.01083747 0.01061992 0.02076427
-37.49119792 2.45438446 0.15308337
-0.00000619 -0.00006217 0.00015701
0.00658150 -0.03856527 0.02394315
-11.71169845 -4.15731175 3.88746816
0.00004200 -0.00013585 0.00013906
-0.02995615 0.02306804 0.01273311
4.23068256 -3.97075755 9.16615405
-0.00019633 -0.00002188 -0.00035209
-0.00227537 -0.01536615 0.00673170
-32.19939861 -0.41015366 -0.34922420
-0.00051763 0.00035929 0.00040078
-0.00821418 -0.00690033 0.00995208
14.46804703 12.56112256 -13.74453791
-0.00032799 -0.00015620 0.00033185
-0.04523697 0.01326182 -0.06215740
-7.71388697 6.04902429 2.60012420
-0.00002154 0.00009359 0.00031078
-0.00501799 0.02687512 0.03625931
7.53614959 12.49747228 -5.90260873
-0.00034097 -0.00036119 -0.00027890
-0.02588188 -0.02195947 0.01696431
8.83436631 9.90555662 -18.96013304
-0.00006361 0.00008164 -0.00004667
-0.00471106 -0.00273154 0.00716711
23.27980054 17.33196907 -2.20737833
-0.00030799 0.00003900 -0.00009078
-0.00154434 -0.03128383 -0.00267694
2.16928317 16.83271858 -19.59136864
-0.00020037 -0.00004620 0.00001114
-0.02185968 0.02545976 -0.02205673
14.02825925 -1.13915374 -5.67562468
-0.00002955 0.00027138 -0.00023681
-0.01776620 0.00460911 -0.00627012
-16.06372929 -1.40959320 3.21301997
-0.00009677 0.00009853 0.00005136
0.00639154 0.01090006 0.00690402
-16.56534301 -1.98848921 18.93678669
0.00062218 -0.00028546 -0.00026152
-0.00885794 0.00726170 0.00988002
0.40942019 2.03381788 -4.90084365
0.00009574 -0.00004225 0.00020236
0.01023320 -0.00169204 0.00411851
22.65026198 -7.12724130 -8.84362374
0.00022202 0.00006128 0.00007351
-0.01338576 0.01444878 0.00080148
-0.70312451 -6.33318130 7.24397403
-0.00022384 0.00011575 0.00005891
-0.00497032 -0.01049705 -0.00074537
-1.75462523 -1.37775999 -19.34686448
0.00002486 0.00017575 0.00004118
0.03207704 -0.01281044 0.02998761
3.22432089 1.89919501 -9.30794777
-0.00003142 -0.00035224 -0.00010083
-0.01785132 0.01587211 0.01342294
-3.85405887 17.77798044 12.31296781
0.00018377 -0.00032135 -0.00006411
0.02012483 0.00208412 -0.01320905
-3.84512078 4.99403245 -11.06973934
0.00004419 0.00010387 -0.00006514
-0.01736080 0.00480970 -0.04119938
-7.97824739 2.89176303 -8.97067420
-0.00002287 -0.00030047 0.00007617
0.03498004 0.02425148 -0.02126374
2.32942227 27.45467347 8.64787068
0.00027388 0.00005319 0.00022183
-0.02810414 -0.01369164 0.04818507
9.72645299 -6.22468957 -1.82956277
-0.00028482 -0.00006597 0.00011445
0.00779960 -0.01570637 0.00845257
-8.74474447 0.80053187 6.01615895
-0.00007744 0.00005025 0.00004965
0.01881268 -0.00795144 0.00318597
20.35023277 10.81335698 8.85456482
0.00008677 0.00006011 -0.00014495
0.01408199 0.03197189 -0.02233837
-2.18417762 -2.13667100 -27.32909775
0.00044928 -0.00010275 -0.00029173
0.00433681 0.02931652 -0.03505532
-14.32585243 6.17456954 7.76999625
0.00009001 -0.00007580 0.00029167
0.01459645 -0.02103712 0.00096553
-9.56201682 7.30400030 -2.46738228
0.00007298 0.00002774 0.00022842
0.00104645 -0.01793764 0.02858178
-1.78810265 -15.45834837 23.50994798
0.00001114 0.00035027 -0.00036500
-0.04055079 0.00060849 0.01368081
-2.69305942 6.32599339 -6.24804359
-0.00001042 0.00001688 0.00019990
0.02737880 -0.01276785 0.00167400
-20.10056972 30.86031839 4.20891166
-0.00038862 -0.00065525 -0.00017713
-0.03808075 -0.01966415 0.03060796
7.62406124 0.23512326 7.73933639
0.00011085 0.00023642 -0.00034361
0.00278993 -0.02471564 -0.00769270
5.71952804 11.54816400 -13.58271222
-0.00005907 0.00000312 0.00020267
0.00738003 -0.01624271 -0.00363688
15.52401846 2.78383611 -1.86934784
-0.00004064 -0.00023405 0.00020190
0.01909670 0.03544582 0.00298126
-4.38261645 13.38787108 -0.84809016
-0.00010659 -0.00036785 0.00028683
-0.00056479 0.00238110 -0.01921048
4.64662965 12.41683177 2.99140865
0.00009824 -0.00007812 -0.00041960
0.01978983 -0.00471156 -0.00558621
25.04021297 -11.60583431 -9.84229249
0.00022373 0.00021946 -0.00036368
0.00306264 -0.00622203 0.01074680
16.60279783 -3.71503474 -0.58810106
0.00025663 0.00017099 -0.00026348
-0.01086400 0.02894549 0.00136988
13.05948806 7.97098322 10.08852443
0.00026908 0.00005704 0.00023252
-0.00060094 -0.00392285 0.04225755
1.58449193 -14.00803687 17.63654758
0.00003456 0.00000223 -0.00005054
0.01234448 0.00832198 -0.00232266
-4.04050560 -0.72415064 -14.22833803
0.00055958 -0.00002744 0.00005150
0.01198697 0.02563816 -0.06107343
15.09570256 -7.63617479 -8.88700510
-0.00010438 0.00037582 0.00000168
-0.02907158 -0.03510982 -0.02639044
8.43940375 -6.98533032 8.82570836
-0.00017301 -0.00017203 0.00017600
0.00143738 -0.01785458 0.02662385
-21.18453195 2.28404239 22.74623976
0.00020082 -0.00002766 0.00022427
0.00229638 0.01222883 -0.00217553
25.69101246 -3.26319934 -8.06360410
-0.00005134 -0.00000852 -0.00022921
0.00156469 0.02539295 -0.00662435
9.86179549 -14.01665430 -8.14833894
0.00010127 0.00029332 -0.00050476
-0.00058879 0.02075032 0.00496757
-6.70263865 -12.44664311 16.96960769
-0.00017672 -0.00002175 0.00007455
0.00146909 -0.00950595 -0.03257631
7.98914949 3.23348737 -29.35304167
-0.00042762 -0.00034745 0.00004011
-0.02777341 0.04433116 -0.00286287
10.88160361 15.40000784 15.36421177
0.00027229 0.00021705 0.00012932
0.02616242 0.02147112 -0.02077486
28.67573133 6.15216451 -3.31823590
0.00014327 0.00025353 -0.00021116
-0.02368374 0.00082533 -0.01048988
5.46192763 -31.36678209 -3.35774148
-0.00012356 -0.00061392 -0.00061690
-0.01147116 -0.00027705 0.00732084
4.40341684 -31.42566655 -0.47978030
0.00064040 0.00070006 0.00031193
-0.00447041 0.00164038 -0.01299269
-11.72918463 -3.46596954 -8.73821314
-0.00050218 0.00078400 -0.00057395
-0.00636109 -0.01315205 -0.00306016
-12.52223743 -1.36334581 -10.67983518
0.00040513 0.00057518 0.00011143
-0.01504856 0.00007071 -0.01991437
-39.04986159 1.97482118 0.97617422
-0.00039623 -0.00024792 0.00067546
0.00258493 0.00272384 0.00379069
-37.92346073 3.82235809 -0.86456707
-0.00004197 -0.00020920 -0.00008774
-0.00862533 0.03924827 -0.02801875
-10.58293208 -5.47963042 3.55571063
-0.00039293 -0.00002165 -0.00033411
0.02098864 -0.03904035 -0.00951941
-10.67628279 -2.71974439 3.64736504
-0.00063367 0.00002766 0.00022544
0.01268953 0.02044678 0.00083973
4.79387057 -2.46443017 8.37286767
-0.00112463 -0.00034356 0.00047058
0.00631649 0.01754185 -0.01044500
4.48439205 -3.59453172 10.95344690
-0.00118688 -0.00015684 -0.00048685
-0.00442806 -0.00419618 0.00233920
-33.53008709 -1.65603212 -0.49923867
-0.00079660 0.00046119 0.00094498
-0.00320441 0.00695290 0.00505450
-32.69701888 0.83238188 0.93628329
-0.00019070 -0.00009904 -0.00051456
-0.00133418 -0.01117445 -0.01539331
14.31912699 12.62166110 -15.74462271
-0.00122011 0.00017724 -0.00018510
-0.00271371 0.00239387 0.05301131
16.14455577 12.15280384 -13.51386638
0.00007219 0.00074181 0.00006108
0.05653147 -0.01146407 0.00633861
-8.70402282 7.23826514 1.64781842
0.00009478 0.00049054 -0.00018143
-0.00096780 0.00755555 -0.00461272
-7.43495600 4.80721997 1.39000121
0.00013550 0.00009801 -0.00105481
0.00933399 -0.03743591 -0.03409721
6.09380016 12.31801357 -6.99607149
0.00021292 0.00012881 -0.00019352
0.00159504 0.00180238 -0.00612726
8.79998369 13.61559710 -6.67661249
0.00047954 0.00012082 -0.00000233
0.01128255 0.00747149 -0.01057628
8.50454031 8.87308160 -20.37911407
-0.00000231 -0.00031261 0.00030864
-0.00896983 -0.02266790 -0.01447049
9.91500766 11.12577232 -19.72113574
0.00026190 -0.00016620 -0.00006232
0.02661064 0.01647345 0.00332240
23.81304462 15.52903400 -2.64254946
0.00067415 0.00037840 -0.00026268
0.00045258 0.03140600 0.00475003
24.87330597 18.24312689 -2.26650353
-0.00047221 0.00024495 -0.00039261
0.00095164 0.00562274 -0.01106722
1.67573136 16.83598142 -21.47088752
0.00063195 0.00012601 -0.00106617
0.00390829 -0.00024183 0.02878808
3.35619132 15.49142945 -19.34761140
0.00100095 0.00044408 -0.00101496
0.01064814 -0.02004633 0.00347572
12.45641519 -0.74990509 -6.61046918
-0.00044674 -0.00108222 -0.00036774
0.01838996 -0.00988474 -0.01277587
13.34466148 -1.02233090 -4.01974272
0.00019579 0.00056922 -0.00041376
0.00164272 -0.00301150 0.02129902
-17.49764704 -2.32229921 2.57298084
0.00047557 0.00154982 -0.00014221
-0.00274080 -0.01524050 0.00692155
-14.58951033 -2.49161711 3.38465617
-0.00006661 -0.00031078 -0.00116004
-0.00639059 -0.01408700 -0.00965542
-16.56934337 -0.62058189 20.20211121
-0.00071500 -0.00085990 -0.00038225
0.00603432 -0.00148608 -0.01014310
-15.41209252 -3.21525427 19.58967758
-0.00014248 0.00052678 0.00028407
0.01003128 -0.00540779 0.00521173
-0.55414359 0.38793657 -4.94563118
0.00082945 0.00011795 0.00043473
-0.00308912 0.01946316 -0.00375959
-0.68428165 3.50289678 -4.97407795
-0.00057361 0.00024425 0.00010696
-0.01134202 -0.01000590 0.00003334
23.52260348 -8.66161058 -9.10154170
-0.00025208 -0.00038035 0.00005469
0.00469966 -0.03636934 -0.00912836
24.06271445 -5.99505936 -8.73483139
0.00024228 0.00045885 0.00032586
0.00072503 0.02126135 0.00700937
0.23879587 -6.14813389 5.66676451
0.00000795 -0.00041655 -0.00021047
0.00198709 0.00156902 0.00876149
0.41397352 -5.96260297 8.64493398
0.00100042 -0.00139216 -0.00039682
0.00552384 0.00579960 -0.00726241
-0.58664749 -2.85142814 -19.08272778
0.00070693 -0.00044348 -0.00097161
-0.01974800 0.02156321 -0.00788155
-2.97578371 -1.83266857 -20.57607021
-0.00003590 -0.00050705 -0.00009156
-0.01778222 -0.01361442 -0.01732713
2.57031253 2.60788443 -10.89911814
0.00025413 0.00093422 0.00105816
0.00825576 -0.00169688 0.01097471
2.14341222 2.55322448 -7.86667580
-0.00036516 -0.00098706 0.00053215
0.00934671 -0.01780405 -0.01886769
-2.30654885 16.76086146 12.40779298
-0.00061222 0.00086690 -0.00008504
-0.00009406 -0.00715043 -0.00452764
-3.48840867 18.89999337 13.68711037
-0.00023131 -0.00078581 0.00113719
-0.00556335 0.01259772 0.01082321
-5.15200965 6.42108250 -11.41320022
-0.00080269 -0.00031425 0.00117638
0.02896512 -0.04402017 -0.00414220
-3.80786074 3.63756211 -12.47547026
-0.00104520 -0.00024699 0.00003770
-0.00642319 0.04047589 0.03342883
-7.67335199 2.09261993 -7.40516016
0.00051278 -0.00031675 0.00001711
-0.00296131 -0.01714811 0.01999017
-6.17619252 3.38551800 -9.39637192
0.00083550 -0.00008956 -0.00019154
-0.03542018 -0.00497710 0.00121926
2.79224009 28.18143941 7.11970619
0.00056750 -0.00030976 0.00012917
0.00632322 0.01557673 -0.03569858
0.82547814 28.34144631 9.26937831
0.00036330 0.00103739 -0.00007586
0.01364710 -0.00725345 -0.01046771
10.68253806 -7.49362108 -0.78356499
0.00002847 0.00008194 0.00006604
-0.01614908 0.01952542 -0.01471333
8.55760468 -7.13944926 -2.93235302
-0.00037814 -0.00000671 0.00006698
0.00770410 -0.00268140 0.01195150
-6.92563826 0.53769900 6.49303331
0.00011886 -0.00061891 0.00099540
-0.02208916 -0.00561695 0.00004022
-9.63979952 -0.44232404 7.01925899
0.00022329 0.00131986 0.00020438
0.00157402 0.00465789 0.00091574
21.70869237 10.26544666 9.92488022
-0.00041106 0.00077342 0.00061935
0.00413525 0.00071599 0.01209724
20.98206265 12.56115062 8.27143739
-0.00054092 0.00045467 0.00022333
-0.01765779 -0.02758781 0.00814030
-1.40455860 -3.51687048 -26.56016547
0.00069590 0.00089132 -0.00010097
0.02184870 -0.03105598 0.02208396
-3.88399634 -2.12125016 -26.83443705
-0.00011620 0.00030724 0.00027784
-0.03092740 0.00146573 0.01362345
-13.86954415 7.18128105 9.21059387
0.00023002 0.00026946 0.00003622
-0.00266760 0.00698485 0.00147824
-15.49894717 7.12798000 6.79502716
-0.00027650 0.00049282 0.00075099
-0.00170851 0.01093286 -0.00119534
-11.27465667 7.53532513 -2.93976479
-0.00011370 0.00077325 0.00118597
-0.01165874 0.00305424 -0.00884402
-8.43068844 8.24705567 -3.57735568
-0.00000425 -0.00047605 0.00063808
-0.01082018 0.00351673 -0.00759075
-0.95689175 -17.10650402 23.15576431
0.00065085 0.00046868 -0.00073441
-0.01619395 0.00371401 0.00243223
-3.71445498 -15.58102428 23.96197033
-0.00056850 0.00042149 -0.00056121
0.06182507 -0.00570896 -0.01330209
-2.21827102 6.22036935 -8.01851564
0.00012349 0.00054896 -0.00026691
-0.01605770 -0.00039003 0.00196906
-4.29480144 7.12485410 -6.03332980
-0.00125565 -0.00083781 0.00051472
-0.01324651 0.01020599 -0.00257323
-21.33780929 29.95176896 3.07465033
0.00035686 -0.00061422 0.00037796
0.00473319 0.01311577 0.00572504
-21.18278448 31.23136364 5.73687210
0.00073327 -0.00087006 -0.00020411
0.01463443 -0.00128141 -0.02941138
7.05544086 -0.34113855 5.99136698
-0.00032657 0.00028975 -0.00019968
0.00206999 0.02889274 0.02561574
7.66750062 2.02974013 8.04422697
-0.00026881 0.00053030 -0.00031404
-0.00991250 0.00311494 -0.01315445
7.12072064 12.73006670 -14.08930413
0.00024131 0.00032586 0.00063261
-0.00831103 -0.00405565 0.01765416
4.46819731 11.78691149 -14.84731445
0.00152607 -0.00020459 0.00101716
-0.00811114 0.00233038 -0.00976593
14.42567843 3.69586797 -3.00529245
-0.00027426 -0.00007811 0.00061745
-0.00115379 0.00436371 0.00425903
14.98907479 1.10306398 -1.95704176
-0.00021376 0.00055221 -0.00009829
-0.00677008 -0.02457525 0.00243654
-2.65153195 13.12102334 -0.43385567
-0.00009075 -0.00059213 -0.00032586
0.00747900 -0.00516663 0.00600574
-5.42911771 12.94457501 0.58702994
-0.00064111 0.00044675 -0.00013996
-0.00252490 -0.00243000 0.00677627
3.65930271 10.84465566 3.49423617
-0.00010509 0.00161715 -0.00075361
0.00396131 0.01599679 -0.01096473
6.46233672 11.80047603 2.97863170
0.00007115 -0.00074355 -0.00041369
-0.02791567 0.00496082 0.00756860
25.19745428 -12.57477734 -8.26897314
0.00034834 0.00056396 -0.00010308
0.00159173 0.00072252 -0.01424589
26.56605954 -11.62705941 -10.97773233
-0.00028616 -0.00037297 0.00086085
-0.01120544 0.00167601 0.00958819
14.78145214 -3.74029037 -0.35900274
0.00099951 0.00066061 0.00118029
0.01158562 0.00220437 0.00105186
17.13072139 -5.42864135 -0.61906126
-0.00064728 0.00049539 0.00037147
0.00460094 -0.02565216 -0.00242993
12.40199244 8.04605291 11.90798790
-0.00005703 -0.00027724 -0.00033534
0.00291304 -0.01026730 -0.03482511
13.47394808 9.73752744 9.82211838
0.00006108 -0.00000152 0.00029927
-0.00130835 0.00370470 -0.01541324
-0.11207340 -14.64554653 17.21110402
-0.00016538 -0.00097183 -0.00000571
-0.00085485 0.00953734 0.00423911
1.47380951 -12.30648493 18.32881275
0.00034499 -0.00070694 0.00011152
-0.00195016 -0.01220592 -0.00188088
-3.87532867 -2.30564253 -13.43057093
-0.00042317 0.00018642 0.00093834
0.00086005 -0.02532712 0.01993645
-3.31625522 -1.02621664 -16.00127226
-0.00030790 -0.00055435 0.00065279
-0.00927290 0.00595904 0.03587371
14.48238985 -8.21704882 -10.58283078
0.00134698 0.00020955 0.00047912
-0.00005713 0.00422965 0.02304655
16.31554156 -6.40084304 -9.47112031
-0.00068879 0.00002939 0.00068837
0.01823593 0.02159692 0.00944614
6.90504303 -5.99469026 8.84392607
-0.00094465 -0.00063175 -0.00069861
-0.00773632 0.01433207 -0.00444674
9.50755711 -6.47312618 7.53121364
0.00056158 -0.00095209 0.00058082
0.02035169 0.02120045 -0.02758294
-21.75632313 2.02261699 20.99882909
-0.00072708 -0.00007611 -0.00040818
0.00507492 -0.00379440 0.00762080
-22.11230589 1.18153062 23.90072940
-0.00053521 0.00117291 0.00001696
-0.00343076 -0.00513570 -0.01061065
26.69814105 -2.97005334 -6.57836810
0.00012579 0.00018305 -0.00028187
0.00295085 -0.00078262 0.00757171
25.22415267 -1.49825561 -8.54631666
0.00013835 0.00029781 -0.00043615
0.00220149 -0.01275898 0.00158665
9.48093199 -15.70236362 -7.65016349
0.00067179 -0.00034202 0.00025604
-0.00177996 -0.02012586 0.00313178
9.14219161 -12.92979197 -6.83371371
0.00055992 -0.00036569 0.00032808
0.00303234 -0.00154750 -0.00985144
-6.01184170 -11.29222723 18.11887193
-0.00009727 -0.00035258 0.00056657
0.01883229 0.02578439 0.02463015
-7.18588620 -11.42701718 15.52840349
0.00037337 -0.00016364 -0.00036029
-0.00021965 0.00212089 -0.00070069
8.46072860 1.53077768 -29.29908032
-0.00006442 -0.00050206 -0.00005355
0.00321071 -0.03122069 -0.00584278
6.21209059 3.41183902 -29.97370168
-0.00066386 -0.00019030 0.00052547
0.02378493 -0.01986209 -0.00180076
12.68487959 15.47891067 14.65869901
0.00004112 -0.00030064 0.00062709
-0.01252490 -0.01327745 -0.00695426
11.15479848 15.82594610 17.08862931
0.00020346 -0.00023182 -0.00094364
-0.00071884 0.00785778 0.02009867
29.27637320 4.81283724 -4.44362923
-0.00031550 -0.00016619 -0.00054101
0.00696167 0.00178446 0.00085454
26.91245394 6.39404497 -3.94809034
0.00012025 0.00004080 -0.00025872
0.01636069 0.00727657 0.01441009
-9.94116081 4.85156010 6.68663185
-0.00000267 0.00004290 -0.00024343
-0.00261653 0.01176122 0.00130326
-8.72960823 13.32153778 2.59567056
-0.00008391 0.00006630 -0.00000471
-0.00333295 -0.00188259 0.00108610
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09476471
0.29651522
395.09166181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4260162474 (a.u.)
total exchange computation time: 2.6527237892 s
-154.4328997568
-931.39175323
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4252110904 (a.u.)
total exchange computation time: 2.6527791023 s
-154.4405365263
Anderson extrapolation: theta=1.3572638673 (1.3572638673)
-931.39197018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4240099399 (a.u.)
total exchange computation time: 2.6519088745 s
-154.4516184485
Anderson extrapolation: theta=0.0561823868 (0.0561823868)
-931.39210107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4238579850 (a.u.)
total exchange computation time: 2.6528239250 s
-154.4528332534
Anderson extrapolation: theta=2.0467266029 (2.0000000000)
-931.39210639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4235298126 (a.u.)
total exchange computation time: 2.6542620659 s
-154.4553600201
Anderson extrapolation: theta=0.2609388246 (0.2609388246)
-931.39211207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4234398119 (a.u.)
total exchange computation time: 2.6536309719 s
-154.4559697676
Anderson extrapolation: theta=1.6703814339 (1.6703814339)
-931.39211314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.4233120523 (a.u.)
total exchange computation time: 2.6525628567 s
-154.4567480294
Anderson extrapolation: theta=0.3235467306 (0.3235467306)
-931.39211411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.4232944936 (a.u.)
total exchange computation time: 2.6525759697 s
-154.4567674658
Anderson extrapolation: theta=1.2024336287 (1.2024336287)
-931.39211432
-116.549340 67.307940 141.882579
559.554305 1031.462118 -410.876882
443.004965 1098.770058 -268.994303
1214.869118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547238372
ExchangeOperator: pair fraction: ispin=0: 0.1304705246
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4232918251 (a.u.)
total exchange computation time: 2.6529610157 s
679.82637025
-1085.42293743
89.69477781
-388.05774844
-175.00928474
79.21775434
551.60419304
0.00000000
-931.39211437
3.99888693 -30.96388901 -2.26048486
0.00017267 -0.00052034 0.00011141
0.01276446 -0.01302903 0.00680213
-11.51326108 -1.74216797 -9.26580751
0.00012721 0.00037942 -0.00007777
0.01200068 0.01270122 0.02128252
-37.49126534 2.45330318 0.15553087
-0.00000380 -0.00008199 0.00016966
0.00270544 -0.03853093 0.02523846
-11.71118393 -4.15926048 3.88960321
0.00002593 -0.00012409 0.00014575
-0.03256644 0.02265851 0.01325839
4.22772887 -3.97114505 9.16089868
-0.00019815 -0.00003151 -0.00034821
-0.00480056 -0.02207143 0.00834005
-32.20719481 -0.40479086 -0.34317413
-0.00052153 0.00035430 0.00040459
-0.00692458 -0.01250669 0.00487604
14.46295276 12.55883073 -13.73979993
-0.00035080 -0.00014950 0.00029971
-0.04347145 0.01279423 -0.06280375
-7.71422948 6.05053183 2.60492582
-0.00002421 0.00010615 0.00032702
-0.00535811 0.02194871 0.02687921
7.53093519 12.49196967 -5.90672686
-0.00035245 -0.00037151 -0.00027002
-0.01874037 -0.01816402 0.01760258
8.83339399 9.90677061 -18.96080539
-0.00006596 0.00008040 -0.00004301
-0.00442553 -0.00207229 0.00706007
23.27517478 17.33243335 -2.20875041
-0.00030842 0.00002301 -0.00009214
-0.00013627 -0.03088004 -0.00259461
2.16619329 16.83212381 -19.59128658
-0.00021116 -0.00003382 -0.00000113
-0.02008545 0.02267286 -0.02567010
14.02774749 -1.13506530 -5.67920106
-0.00003864 0.00027364 -0.00024043
-0.01757675 0.00419717 -0.00780265
-16.06515620 -1.40807317 3.21381707
-0.00009144 0.00010495 0.00005567
0.01431958 0.01403950 0.00983622
-16.55604447 -1.99274316 18.93290195
0.00061647 -0.00028114 -0.00025756
-0.01334034 0.00955359 0.00554784
0.41089583 2.03317766 -4.89779233
0.00010075 -0.00004155 0.00020450
0.00923339 0.00440149 0.00417856
22.65354068 -7.12626637 -8.84251798
0.00021569 0.00006861 0.00007392
-0.01122596 0.01405244 0.00077293
-0.70650121 -6.33148557 7.24485480
-0.00022583 0.00011046 0.00005825
-0.00278689 -0.01008218 -0.00180174
-1.75412860 -1.37517318 -19.34613109
0.00004136 0.00016800 0.00005595
0.03208113 -0.01730479 0.02743096
3.22378079 1.89397261 -9.30940836
-0.00004060 -0.00034428 -0.00009250
-0.01784236 0.01507256 0.01896082
-3.85122471 17.77316826 12.31195527
0.00019243 -0.00031814 -0.00006996
0.01354211 0.01040949 -0.00956001
-3.84452493 4.99560908 -11.07087540
0.00003511 0.00010617 -0.00008613
-0.01794990 0.00413662 -0.04041631
-7.97845554 2.88734952 -8.96961362
-0.00000378 -0.00028782 0.00006514
0.03927879 0.02495908 -0.02166047
2.33342208 27.45541850 8.65138393
0.00025911 0.00004659 0.00024652
-0.02934245 -0.01197188 0.04782652
9.72221081 -6.22573969 -1.82781339
-0.00028087 -0.00007398 0.00011874
0.00756102 -0.01545388 0.00821876
-8.74583352 0.80125494 6.01691596
-0.00006612 0.00004712 0.00005068
0.02519794 -0.00421953 0.00083729
20.35158858 10.81438201 8.85230440
0.00009370 0.00007661 -0.00015642
0.01290081 0.03217702 -0.02227430
-2.17742170 -2.13809916 -27.33360885
0.00044917 -0.00008667 -0.00030988
-0.00474649 0.03322711 -0.03554301
-14.32444598 6.17335133 7.77437502
0.00009703 -0.00008604 0.00029187
0.01269016 -0.01876161 -0.00018460
-9.56091815 7.30434722 -2.46384579
0.00007287 0.00001796 0.00024368
-0.00144724 -0.02008814 0.03077469
-1.78809192 -15.45309201 23.50452577
-0.00000995 0.00035032 -0.00035808
-0.04146416 -0.00038767 0.01322555
-2.69311018 6.32619732 -6.24503860
0.00000244 0.00001093 0.00020020
0.02265707 -0.01036108 -0.00052040
-20.10654595 30.85041373 4.20637276
-0.00040654 -0.00066482 -0.00016160
-0.03159452 -0.01753074 0.02979686
7.62573478 0.23857418 7.73415264
0.00011231 0.00022441 -0.00034736
0.00289841 -0.02199374 -0.00691428
5.71867046 11.54814810 -13.57968620
-0.00005224 -0.00000542 0.00020326
0.01916251 -0.01696429 0.00594487
15.52348254 2.78046208 -1.86630779
-0.00003042 -0.00021442 0.00020349
0.02065255 0.04089605 0.00318548
-4.38421755 13.38236257 -0.84386184
-0.00010693 -0.00036638 0.00027637
-0.00073382 0.00332528 -0.02145835
4.64817958 12.41564183 2.98509312
0.00010926 -0.00007927 -0.00042289
0.02305899 0.00023776 -0.00719362
25.04358069 -11.60256648 -9.84770616
0.00022410 0.00021608 -0.00035700
-0.00162261 -0.00688430 0.01520260
16.60660539 -3.71235819 -0.59204801
0.00025174 0.00018682 -0.00026288
-0.00814642 0.03260093 0.00097415
13.06352199 7.97182370 10.09217517
0.00026890 0.00005469 0.00025363
-0.00009649 -0.00522005 0.03982797
1.58505802 -14.00797139 17.63578045
0.00004041 0.00000493 -0.00005245
0.01038800 0.00217951 -0.00509225
-4.03206561 -0.72446328 -14.22780112
0.00056514 -0.00001449 0.00002138
0.00963348 0.02472232 -0.05605976
15.09402469 -7.63067289 -8.88708174
-0.00011961 0.00035723 -0.00001033
-0.03013361 -0.03718113 -0.02029316
8.43681412 -6.98797970 8.82845106
-0.00017296 -0.00018085 0.00018978
-0.00123448 -0.01643317 0.02694749
-21.18151076 2.28367472 22.74959535
0.00020190 -0.00002111 0.00022113
0.00188435 0.01321707 -0.01002394
25.69024842 -3.26322916 -8.06706776
-0.00005050 0.00000498 -0.00023251
0.00171427 0.02708494 -0.00620123
9.86331227 -14.01217442 -8.15589114
0.00010056 0.00030241 -0.00050160
-0.00216258 0.01458511 0.00731341
-6.70528377 -12.44700602 16.97060031
-0.00017584 -0.00002634 0.00005796
0.00193810 -0.00833532 -0.03192899
7.98262804 3.22844667 -29.35245104
-0.00044165 -0.00032529 0.00003872
-0.02676571 0.04183308 -0.00253238
10.88578886 15.40334643 15.36607147
0.00028481 0.00022734 0.00011672
0.02251229 0.01852764 -0.02823796
28.67778900 6.15597060 -3.32144369
0.00013132 0.00025341 -0.00021696
-0.02277093 -0.00128969 -0.01209970
5.45972268 -31.37599939 -3.36677062
-0.00017131 -0.00061458 -0.00058476
-0.01190228 -0.00004549 0.00840988
4.41288579 -31.41511532 -0.47549954
0.00062235 0.00070548 0.00025854
-0.00436421 0.00100916 -0.01314273
-11.73691218 -3.45461251 -8.74691610
-0.00052857 0.00072370 -0.00058428
-0.00655726 -0.01636816 -0.00199801
-12.51662156 -1.35471601 -10.67877390
0.00034143 0.00057735 0.00002652
-0.01613479 0.00099144 -0.02165333
-39.05572577 1.97118581 0.98642222
-0.00037777 -0.00023367 0.00068593
0.00645074 0.00425114 0.00133557
-37.92435466 3.82042277 -0.86674182
-0.00007708 -0.00005129 -0.00020035
-0.00855868 0.03804780 -0.02710260
-10.58818283 -5.48115144 3.55040720
-0.00030490 -0.00018244 -0.00037400
0.02210340 -0.03966725 -0.01000227
-10.68539905 -2.71870290 3.65077234
-0.00057904 0.00011367 0.00022865
0.01405436 0.02165453 0.00073308
4.77719473 -2.46904601 8.37960628
-0.00109406 -0.00025894 0.00042016
0.00864771 0.02388127 -0.01423570
4.46645318 -3.59701291 10.94621589
-0.00120396 -0.00017386 -0.00047332
-0.00393481 -0.00413523 0.00428295
-33.54213422 -1.64890125 -0.48490907
-0.00080792 0.00049020 0.00096473
-0.00234096 0.00724746 0.00461468
-32.69992030 0.83055379 0.92809314
-0.00019980 -0.00013369 -0.00056643
-0.00312125 -0.00578264 -0.00999380
14.30074216 12.62439310 -15.74577479
-0.00122882 0.00018623 0.00003495
-0.00154697 0.00200635 0.05470627
16.14737093 12.16357972 -13.51275596
0.00029763 0.00069672 0.00008463
0.05382431 -0.01060869 0.00518734
-8.70263080 7.24585477 1.64495555
0.00009456 0.00051703 -0.00019586
0.00085979 0.00541040 -0.00244911
-7.43263754 4.80754296 1.37313416
0.00017062 -0.00004084 -0.00117966
0.00786091 -0.03053135 -0.02701449
6.09704285 12.32000089 -6.99916208
0.00021286 0.00013542 -0.00022405
-0.00162512 0.00143278 -0.00881421
8.80752257 13.61763842 -6.67697154
0.00051927 0.00014575 -0.00004155
0.00816151 0.00472921 -0.00862203
8.50423081 8.86769783 -20.37492793
-0.00003873 -0.00040515 0.00024947
-0.00885847 -0.02262856 -0.01449261
9.91975158 11.12378412 -19.72196870
0.00036956 -0.00010016 -0.00004851
0.02608982 0.01585282 0.00343453
23.82317074 15.53567238 -2.64634410
0.00067469 0.00050400 -0.00024349
-0.00018803 0.03007404 0.00464420
24.86625195 18.24697338 -2.27273179
-0.00046833 0.00026885 -0.00043768
0.00094949 0.00607853 -0.01099466
1.68533038 16.83786414 -21.48599793
0.00064732 0.00012576 -0.00094155
0.00361650 0.00011929 0.03221436
3.37153187 15.49747643 -19.36272929
0.00104031 0.00036686 -0.00099986
0.00861853 -0.01775425 0.00391440
12.45027754 -0.76644122 -6.61637678
-0.00037014 -0.00112182 -0.00041917
0.01910659 -0.00950322 -0.01239718
13.34764860 -1.01388487 -4.02529638
0.00020107 0.00055712 -0.00032370
0.00094454 -0.00291124 0.02278368
-17.49059743 -2.29951898 2.57105979
0.00045011 0.00147907 -0.00012041
-0.00972492 -0.01939076 0.00375080
-14.59070535 -2.49671046 3.36695969
-0.00009466 -0.00036626 -0.00119862
-0.00733781 -0.01306990 -0.00922942
-16.57988347 -0.63352592 20.19606662
-0.00069055 -0.00086033 -0.00041958
0.00593500 0.00127683 -0.00813177
-15.41392238 -3.20751827 19.59409836
-0.00009256 0.00049454 0.00030989
0.01440779 -0.01037552 0.00742532
-0.54179646 0.39030217 -4.93922541
0.00081314 0.00019267 0.00041857
-0.00489635 0.01711515 -0.00415106
-0.69323329 3.50625386 -4.97247256
-0.00061455 0.00019603 0.00010709
-0.00869985 -0.01359832 0.00002918
23.51896629 -8.66843029 -9.10100112
-0.00023362 -0.00052331 0.00001823
0.00433769 -0.03361244 -0.00871675
24.06637085 -5.98752509 -8.72972870
0.00024201 0.00054069 0.00035388
-0.00085554 0.01879864 0.00670487
0.23897604 -6.15433402 5.66387589
0.00001339 -0.00041075 -0.00017229
0.00067269 0.00127019 0.00993086
0.42914904 -5.98330768 8.63875919
0.00102115 -0.00136836 -0.00042675
0.00462496 0.00585112 -0.00739009
-0.57664868 -2.85741953 -19.09754344
0.00062212 -0.00034871 -0.00100309
-0.02176819 0.02482794 -0.00752622
-2.97686718 -1.84069149 -20.57797464
-0.00010463 -0.00056005 -0.00015793
-0.01586168 -0.01232784 -0.01515772
2.57437752 2.62184573 -10.88290943
0.00028491 0.00092962 0.00109453
0.00680812 -0.00055676 0.00682966
2.13822127 2.53787294 -7.85927169
-0.00032439 -0.00106052 0.00045258
0.01061108 -0.01815379 -0.02008379
-2.31573504 16.77364582 12.40637871
-0.00059744 0.00082687 -0.00010390
0.00733054 -0.01244508 -0.00470772
-3.49204877 18.88859229 13.70449986
-0.00025591 -0.00073934 0.00117435
-0.00647889 0.01014852 0.00736576
-5.16316241 6.41501990 -11.39568149
-0.00068442 -0.00049300 0.00115780
0.02892922 -0.04348295 -0.00495307
-3.82373563 3.63509754 -12.47388039
-0.00107031 -0.00008109 0.00017429
-0.00586631 0.04073499 0.03343490
-7.66575104 2.08734322 -7.40429100
0.00050007 -0.00038649 0.00009740
-0.00326249 -0.01699129 0.01931599
-6.16474538 3.38402213 -9.39920766
0.00068264 -0.00011207 -0.00018454
-0.03940578 -0.00604124 0.00220825
2.80094634 28.17727029 7.12054980
0.00059309 -0.00024734 -0.00001511
0.00620465 0.01498070 -0.03492761
0.83134589 28.35678486 9.26791965
0.00042180 0.00100552 -0.00011957
0.01498488 -0.00834441 -0.01092891
10.68247025 -7.49179368 -0.78302520
-0.00003786 0.00016120 0.00000579
-0.01631778 0.01927245 -0.01478187
8.55216863 -7.13963208 -2.93098211
-0.00034601 -0.00001759 0.00011635
0.00802281 -0.00264449 0.01221824
-6.92453224 0.52824324 6.50796559
0.00002497 -0.00063965 0.00099294
-0.02386948 -0.00453448 -0.00124800
-9.63640200 -0.42238334 7.02235280
0.00022086 0.00132879 0.00021573
-0.00275966 -0.00028786 0.00463896
21.70265326 10.27706997 9.93454119
-0.00039288 0.00077594 0.00066926
0.00475929 0.00051559 0.01233117
20.97340774 12.56712523 8.27503685
-0.00061216 0.00034169 0.00025587
-0.01721294 -0.02771508 0.00778696
-1.39345055 -3.50445237 -26.56100323
0.00078837 0.00075650 -0.00000604
0.02341606 -0.03493574 0.02438323
-3.88668711 -2.11659667 -26.82985193
-0.00022798 0.00031235 0.00033006
-0.02378553 0.00103765 0.01193557
-13.86617558 7.18553697 9.21118243
0.00021973 0.00029702 0.00004263
-0.00237034 0.00650650 0.00165947
-15.50314705 7.13570736 6.80625533
-0.00028027 0.00053405 0.00074811
-0.00013690 0.00924804 -0.00021127
-11.27671942 7.54701743 -2.92224624
-0.00016005 0.00078587 0.00114977
-0.01103142 0.00312522 -0.00887646
-8.43108371 8.24002266 -3.56801712
-0.00004481 -0.00045750 0.00060230
-0.00903387 0.00556439 -0.00992042
-0.94762529 -17.09936001 23.14482271
0.00058218 0.00048611 -0.00072343
-0.01741648 0.00481923 0.00294075
-3.72108795 -15.57487681 23.95314461
-0.00031239 0.00039735 -0.00061596
0.06354349 -0.00610782 -0.01350121
-2.21691073 6.22859174 -8.02245900
0.00005593 0.00054750 -0.00025276
-0.01701274 -0.00032052 0.00495779
-4.31404216 7.11259975 -6.02568778
-0.00129778 -0.00080142 0.00050253
-0.00737242 0.00760493 -0.00339626
-21.33231139 29.94295756 3.08049513
0.00037041 -0.00056428 0.00039697
0.00190125 0.01132929 0.00358015
-21.17133701 31.21827344 5.73290925
0.00078723 -0.00087394 -0.00031809
0.01178243 -0.00061511 -0.02638470
7.05060575 -0.33590689 5.98915673
-0.00031791 0.00040686 -0.00009568
0.00217022 0.02843100 0.02529235
7.66316466 2.03779004 8.03911332
-0.00030935 0.00053839 -0.00036824
-0.00992865 0.00084874 -0.01337959
7.12408559 12.73483027 -14.07927405
0.00020587 0.00030705 0.00070561
-0.00903723 -0.00515087 0.01807924
4.49083981 11.78391403 -14.83235636
0.00147077 -0.00019177 0.00095572
-0.01896091 0.00394475 -0.02030969
14.42152915 3.69483009 -2.99590023
-0.00027913 -0.00005927 0.00063425
-0.00122686 0.00485562 0.00396725
14.98566095 1.11059405 -1.95844142
-0.00024484 0.00043974 -0.00008827
-0.00844323 -0.03047925 0.00246609
-2.65266406 13.11198312 -0.43855955
-0.00005998 -0.00061376 -0.00029976
0.00758336 -0.00542475 0.00677085
-5.43881168 12.95120186 0.58513816
-0.00065133 0.00043547 -0.00010923
-0.00247867 -0.00309611 0.00826575
3.65784775 10.86940315 3.48259602
-0.00009456 0.00167139 -0.00079483
0.00119328 0.01055249 -0.00921076
6.46254859 11.78947483 2.97265825
-0.00004337 -0.00072325 -0.00038248
-0.02814605 0.00497372 0.00770976
25.20272819 -12.56629582 -8.27095590
0.00035391 0.00056703 -0.00016129
0.00113393 0.00078227 -0.01424853
26.56142374 -11.63260258 -10.96452582
-0.00032244 -0.00036591 0.00089204
-0.00655509 0.00178143 0.00568171
14.79679978 -3.73031374 -0.34126612
0.00103742 0.00067051 0.00118538
0.00697266 0.00264426 0.00143772
17.12115322 -5.42199663 -0.61356364
-0.00062462 0.00038203 0.00036132
0.00648933 -0.02983349 -0.00253970
12.40122628 8.04157965 11.90189061
-0.00004633 -0.00031844 -0.00047264
0.00232411 -0.00989860 -0.03238412
13.47482425 9.73761814 9.82613518
0.00005634 0.00001526 0.00023612
-0.00101582 0.00450995 -0.01550049
-0.11458026 -14.65983174 17.21114822
-0.00016348 -0.00092873 0.00001358
0.00178298 0.01155945 0.00520488
1.47892463 -12.31746301 18.33042793
0.00033514 -0.00074809 0.00010743
-0.00287108 -0.00793881 -0.00012350
-3.88164988 -2.30362228 -13.41588487
-0.00041984 0.00008633 0.00101783
0.00077281 -0.02367066 0.01897277
-3.32115793 -1.03434935 -15.99038113
-0.00034161 -0.00053151 0.00079151
-0.00722702 0.00522119 0.03203001
14.50259283 -8.21377591 -10.57493780
0.00134143 0.00022303 0.00056377
-0.00266118 0.00236679 0.01838923
16.30576846 -6.39974045 -9.46050535
-0.00060627 0.00012491 0.00072387
0.02216063 0.02516267 0.00793209
6.89063616 -6.00372734 8.83331073
-0.00097012 -0.00057518 -0.00071744
-0.00472934 0.01336201 -0.00477544
9.51660452 -6.48675782 7.53908073
0.00064405 -0.00086513 0.00046824
0.02001385 0.02136372 -0.02752414
-21.76707383 2.02135904 20.99293996
-0.00070196 -0.00008941 -0.00036617
0.00722097 -0.00271457 0.01294225
-22.12043918 1.19896687 23.90065867
-0.00055221 0.00114755 -0.00002146
-0.00489191 -0.00727578 -0.00819443
26.70011827 -2.96733155 -6.58236417
0.00013711 0.00017921 -0.00025229
0.00259346 -0.00110012 0.00691091
25.22629532 -1.49417947 -8.55281035
0.00014781 0.00024300 -0.00042921
0.00242929 -0.01406926 0.00181093
9.49095422 -15.70811065 -7.64622690
0.00066719 -0.00041316 0.00026472
-0.00046792 -0.01469845 0.00111736
9.15068325 -12.93532474 -6.82909443
0.00057213 -0.00037117 0.00028719
0.00294801 -0.00113548 -0.01016134
-6.01272371 -11.29672582 18.12812523
-0.00002207 -0.00024944 0.00066369
0.01797946 0.02470395 0.02290972
-7.18029239 -11.42940679 15.52297768
0.00037337 -0.00015545 -0.00036068
0.00022136 0.00188810 0.00051010
8.45986062 1.52229006 -29.30006262
-0.00005330 -0.00062363 -0.00007769
0.00223556 -0.02828564 -0.00597282
6.20286150 3.40837588 -29.96587477
-0.00056623 -0.00027206 0.00051752
0.02400548 -0.02016140 -0.00209128
12.68511256 15.47399420 14.66789220
-0.00000691 -0.00035446 0.00059549
-0.01098536 -0.01306687 -0.00851135
11.15782832 15.82270957 17.07509062
0.00020236 -0.00019508 -0.00084246
0.00018157 0.01012762 0.02942947
29.27185406 4.81039908 -4.45171818
-0.00028744 -0.00015560 -0.00053418
0.00677152 0.00339709 0.00248994
26.91475905 6.39487995 -3.95152957
0.00018615 0.00007150 -0.00019950
0.01589820 0.00775335 0.01458072
-9.94120795 4.85223512 6.68298389
-0.00000360 0.00004712 -0.00024297
-0.00257331 0.01181691 0.00128761
-8.73087274 13.32252897 2.59560185
-0.00008470 0.00006586 -0.00000444
-0.00345005 -0.00191851 0.00122077
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09479295
0.29732143
396.16589311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4306939199 (a.u.)
total exchange computation time: 2.6592309475 s
-154.4618517194
-931.39315472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.4298342541 (a.u.)
total exchange computation time: 2.6557178497 s
-154.4700201569
Anderson extrapolation: theta=1.3590553562 (1.3590553562)
-931.39337084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4285719678 (a.u.)
total exchange computation time: 2.6562459469 s
-154.4818119248
Anderson extrapolation: theta=0.0550021629 (0.0550021629)
-931.39350073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.4284316836 (a.u.)
total exchange computation time: 2.6565330029 s
-154.4830187094
Anderson extrapolation: theta=1.9843750783 (1.9843750783)
-931.39350560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4281396085 (a.u.)
total exchange computation time: 2.6554338932 s
-154.4854673624
Anderson extrapolation: theta=0.2300601801 (0.2300601801)
-931.39351037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4280749558 (a.u.)
total exchange computation time: 2.6568911076 s
-154.4859552575
Anderson extrapolation: theta=1.8440012138 (1.8440012138)
-931.39351116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.4279813930 (a.u.)
total exchange computation time: 2.6571760178 s
-154.4866001695
Anderson extrapolation: theta=0.2894602401 (0.2894602401)
-931.39351181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4279791124 (a.u.)
total exchange computation time: 2.6581890583 s
-154.4865503891
Anderson extrapolation: theta=1.3227098297 (1.3227098297)
-931.39351192
-116.550165 67.371283 141.880796
559.555623 1031.466357 -410.850227
443.005458 1098.837639 -268.969431
1214.924915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1301676582
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4279934949 (a.u.)
total exchange computation time: 2.6577720642 s
679.89846786
-1085.57868772
89.69016999
-387.95315789
-175.02231063
79.30261531
551.60419304
0.00000000
-931.39351187
4.00152625 -30.97174441 -2.25878750
0.00017916 -0.00052677 0.00011460
0.01247705 -0.01196111 0.00561584
-11.51130665 -1.73642772 -9.26689190
0.00013351 0.00038642 -0.00006686
0.01251341 0.01454509 0.02111062
-37.49131189 2.45192465 0.15817309
-0.00000343 -0.00010139 0.00018263
-0.00125748 -0.03688321 0.02521095
-11.71092066 -4.16103440 3.89184055
0.00000892 -0.00011271 0.00015259
-0.03355770 0.02157996 0.01334953
4.22473813 -3.97170282 9.15570766
-0.00020116 -0.00004440 -0.00034361
-0.00692033 -0.02806870 0.00956875
-32.21504444 -0.39952454 -0.33708644
-0.00052469 0.00034632 0.00040568
-0.00539115 -0.01853334 -0.00063272
14.45752312 12.55663761 -13.73554647
-0.00037206 -0.00014318 0.00026754
-0.03920921 0.01178316 -0.06233048
-7.71461332 6.05220871 2.60993480
-0.00002701 0.00011602 0.00033823
-0.00552390 0.01642850 0.01671933
7.52557621 12.48632694 -5.91070920
-0.00036024 -0.00037986 -0.00026082
-0.01157751 -0.01429532 0.01815700
8.83238752 9.90796862 -18.96142327
-0.00006809 0.00007949 -0.00003966
-0.00386767 -0.00145844 0.00594640
23.27054797 17.33265939 -2.21014251
-0.00030813 0.00000740 -0.00009345
0.00127116 -0.02984027 -0.00250364
2.16294847 16.83170396 -19.59140255
-0.00022081 -0.00002302 -0.00001508
-0.01747233 0.01934243 -0.02857955
14.02710012 -1.13094449 -5.68283763
-0.00004761 0.00027570 -0.00024465
-0.01730659 0.00379435 -0.00861541
-16.06647263 -1.40644484 3.21469005
-0.00008207 0.00011288 0.00006147
0.02212308 0.01679936 0.01270152
-16.54684884 -1.99692340 18.92906001
0.00060857 -0.00027577 -0.00025582
-0.01738003 0.01132554 0.00118914
0.41244271 2.03257140 -4.89470877
0.00010529 -0.00003772 0.00020666
0.00842904 0.01048376 0.00424332
22.65673278 -7.12518304 -8.84140626
0.00021063 0.00007553 0.00007427
-0.00846000 0.01286101 0.00061008
-0.70989941 -6.32986762 7.24572167
-0.00022669 0.00010537 0.00005715
-0.00053972 -0.00968152 -0.00248885
-1.75338448 -1.37271987 -19.34518609
0.00005756 0.00015806 0.00006918
0.03091489 -0.02137567 0.02403586
3.22310304 1.88886649 -9.31072269
-0.00004966 -0.00033685 -0.00008141
-0.01742216 0.01383566 0.02414143
-3.84828608 17.76843639 12.31086897
0.00019760 -0.00031061 -0.00007390
0.00657062 0.01886898 -0.00576576
-3.84406755 4.99721762 -11.07232325
0.00002585 0.00010814 -0.00010653
-0.01804180 0.00351720 -0.03892826
-7.97836067 2.88312855 -8.96872014
0.00001729 -0.00027492 0.00005418
0.04265859 0.02520313 -0.02094968
2.33719553 27.45607117 8.65526613
0.00024396 0.00004099 0.00027056
-0.02956119 -0.00981257 0.04567582
9.71802697 -6.22690903 -1.82600061
-0.00027708 -0.00008172 0.00012284
0.00715572 -0.01462661 0.00773264
-8.74672817 0.80194546 6.01767943
-0.00005165 0.00004591 0.00005046
0.03107617 -0.00046921 -0.00171429
20.35304391 10.81565528 8.84987214
0.00010008 0.00009302 -0.00016774
0.01187523 0.03164598 -0.02173882
-2.17070241 -2.13927098 -27.33839416
0.00044447 -0.00006898 -0.00032802
-0.01355852 0.03554168 -0.03500852
-14.32294163 6.17198838 7.77875235
0.00010303 -0.00009504 0.00029149
0.01065954 -0.01625078 -0.00128807
-9.55983065 7.30453917 -2.46007187
0.00007134 0.00000712 0.00026001
-0.00449503 -0.02207907 0.03274054
-1.78840107 -15.44783865 23.49920559
-0.00003126 0.00034988 -0.00035147
-0.04139940 -0.00134464 0.01249027
-2.69298615 6.32632132 -6.24203761
0.00001279 0.00000622 0.00019945
0.01758304 -0.00795411 -0.00237503
-20.11276592 30.84037382 4.20406373
-0.00042094 -0.00067328 -0.00014662
-0.02441741 -0.01535482 0.02844575
7.62743067 0.24185542 7.72891555
0.00011387 0.00021387 -0.00035058
0.00315090 -0.01896296 -0.00560918
5.71796072 11.54800132 -13.57661431
-0.00003945 -0.00001441 0.00020886
0.03059751 -0.01798478 0.01583125
15.52310595 2.77740355 -1.86324317
-0.00001948 -0.00019231 0.00020518
0.02188239 0.04508428 0.00338159
-4.38582431 13.37687972 -0.83979906
-0.00010730 -0.00036447 0.00026485
-0.00071052 0.00411300 -0.02334477
4.64990740 12.41445371 2.97872209
0.00012193 -0.00007768 -0.00042704
0.02622543 0.00594440 -0.00894271
25.04693589 -11.59935176 -9.85300255
0.00022192 0.00021244 -0.00034804
-0.00684793 -0.00728299 0.01965054
16.61035010 -3.70943014 -0.59598744
0.00024840 0.00020424 -0.00026253
-0.00484392 0.03513807 0.00039075
13.06755518 7.97262390 10.09613318
0.00026907 0.00005173 0.00027326
0.00073867 -0.00630329 0.03654307
1.58570425 -14.00788910 17.63497403
0.00004530 0.00000441 -0.00005580
0.00862653 -0.00417721 -0.00793525
-4.02355130 -0.72458520 -14.22769668
0.00056943 -0.00000227 -0.00000574
0.00702631 0.02278430 -0.04938548
15.09211435 -7.62545784 -8.88731494
-0.00013522 0.00033777 -0.00001910
-0.03057508 -0.03850082 -0.01380391
8.43421497 -6.99075586 8.83140165
-0.00017407 -0.00018877 0.00020339
-0.00308996 -0.01434086 0.02598175
-21.17847504 2.28340901 22.75287360
0.00020282 -0.00001415 0.00021412
0.00170452 0.01386292 -0.01722463
25.68949760 -3.26305002 -8.07057927
-0.00004951 0.00001925 -0.00023552
0.00210082 0.02842850 -0.00550935
9.86481237 -14.00758202 -8.16338692
0.00009907 0.00030823 -0.00049724
-0.00363643 0.00805273 0.00964203
-6.70791395 -12.44743325 16.97134660
-0.00017457 -0.00003010 0.00004197
0.00302458 -0.00627477 -0.03024642
7.97590010 3.22372869 -29.35187994
-0.00045493 -0.00030475 0.00003756
-0.02487651 0.03802850 -0.00199364
10.89014779 15.40682796 15.36771333
0.00029539 0.00023616 0.00010046
0.01863922 0.01578549 -0.03500134
28.67967099 6.15976674 -3.32474483
0.00011996 0.00025221 -0.00022352
-0.02139906 -0.00338616 -0.01339600
5.45678829 -31.38521947 -3.37528435
-0.00022021 -0.00061447 -0.00054861
-0.01203206 0.00009987 0.00928519
4.42208727 -31.40450224 -0.47202424
0.00060490 0.00070819 0.00020497
-0.00417856 0.00031902 -0.01307874
-11.74504160 -3.44425863 -8.75574152
-0.00055568 0.00065122 -0.00059056
-0.00671636 -0.01911089 -0.00107545
-12.51199452 -1.34602545 -10.67903968
0.00027457 0.00058284 -0.00006376
-0.01659581 0.00169840 -0.02253994
-39.06119460 1.96781098 0.99675207
-0.00034428 -0.00021342 0.00068668
0.00994130 0.00566414 -0.00096896
-37.92577311 3.82081926 -0.87057757
-0.00011094 0.00009855 -0.00030682
-0.00801757 0.03530357 -0.02501679
-10.59207895 -5.48510351 3.54449077
-0.00021463 -0.00034278 -0.00041516
0.02208405 -0.03882350 -0.01014990
-10.69365398 -2.71633428 3.65422457
-0.00051985 0.00020295 0.00023165
0.01491795 0.02204970 0.00073483
4.76104888 -2.47219825 8.38547245
-0.00105468 -0.00014989 0.00035526
0.01062575 0.02949965 -0.01753238
4.44827315 -3.59974753 10.93924735
-0.00121908 -0.00019064 -0.00045207
-0.00346638 -0.00407613 0.00612006
-33.55432483 -1.64132621 -0.47029664
-0.00081591 0.00052016 0.00098262
-0.00156811 0.00742055 0.00414178
-32.70301300 0.82837131 0.91929051
-0.00021655 -0.00014513 -0.00059524
-0.00507426 0.00018065 -0.00411310
14.28226252 12.62724806 -15.74357413
-0.00123280 0.00019364 0.00026021
-0.00040304 0.00162030 0.05555982
16.15348478 12.17370543 -13.51132763
0.00050689 0.00065617 0.00010286
0.04860707 -0.00924018 0.00373662
-8.70118607 7.25377597 1.64194259
0.00010182 0.00053457 -0.00020144
0.00269305 0.00317627 -0.00028152
-7.42983732 4.80599480 1.35461149
0.00019931 -0.00015005 -0.00127385
0.00618383 -0.02293062 -0.01909148
6.10018595 12.32207602 -7.00279286
0.00019978 0.00014058 -0.00026542
-0.00477859 0.00109572 -0.01144087
8.81556165 13.61996957 -6.67785899
0.00054602 0.00015929 -0.00007266
0.00493375 0.00189880 -0.00660867
8.50337842 8.86092724 -20.37162998
-0.00007415 -0.00049613 0.00019174
-0.00848126 -0.02191056 -0.01376734
9.92609445 11.12276748 -19.72259118
0.00047391 -0.00003799 -0.00003368
0.02499219 0.01458061 0.00382729
23.83328534 15.54415387 -2.64985411
0.00067280 0.00062294 -0.00022502
-0.00073613 0.02815191 0.00439432
24.85925612 18.25119240 -2.27963386
-0.00046483 0.00029451 -0.00048234
0.00076452 0.00648265 -0.01087004
1.69515104 16.83975417 -21.49913405
0.00066112 0.00012693 -0.00080415
0.00313826 0.00045440 0.03504307
3.38740062 15.50243531 -19.37760729
0.00107016 0.00030017 -0.00098312
0.00599191 -0.01489421 0.00427942
12.44531087 -0.78355976 -6.62304417
-0.00029118 -0.00115973 -0.00046905
0.01954541 -0.00905500 -0.01202110
13.35069360 -1.00561725 -4.02945371
0.00020385 0.00054539 -0.00022915
0.00041696 -0.00283105 0.02349814
-17.48414383 -2.27792714 2.56936862
0.00039627 0.00139193 -0.00011160
-0.01663015 -0.02326229 0.00056061
-14.59235007 -2.50260481 3.34869758
-0.00012662 -0.00041731 -0.00123527
-0.00830840 -0.01192179 -0.00871325
-16.59005984 -0.64639170 20.18952367
-0.00066668 -0.00084917 -0.00044838
0.00574789 0.00418641 -0.00596246
-15.41486925 -3.20041814 19.59897420
-0.00002547 0.00044277 0.00034454
0.01843334 -0.01496488 0.00953910
-0.52974941 0.39371668 -4.93307404
0.00078930 0.00025712 0.00040088
-0.00677278 0.01443252 -0.00450929
-0.70271812 3.50877755 -4.97086539
-0.00064488 0.00013376 0.00010715
-0.00614735 -0.01688106 0.00000187
23.51559494 -8.67730997 -9.10099475
-0.00021755 -0.00065273 -0.00001618
0.00352522 -0.02973911 -0.00812875
24.06997481 -5.97883872 -8.72421509
0.00023490 0.00061186 0.00038056
-0.00262392 0.01604196 0.00635602
0.23919744 -6.16045631 5.66159590
0.00001353 -0.00040605 -0.00012974
-0.00060043 0.00102911 0.01089711
0.44460800 -6.00365380 8.63213150
0.00103786 -0.00134441 -0.00045740
0.00355341 0.00587160 -0.00761609
-0.56798395 -2.86188931 -19.11282035
0.00053021 -0.00024207 -0.00103269
-0.02322159 0.02737017 -0.00696451
-2.97892274 -1.84946993 -20.58080803
-0.00016426 -0.00060718 -0.00021414
-0.01332435 -0.01074359 -0.01235780
2.57885975 2.63577291 -10.86628215
0.00030961 0.00093005 0.00111371
0.00528251 0.00076964 0.00255570
2.13368063 2.52140882 -7.85309844
-0.00027917 -0.00113482 0.00036897
0.01152493 -0.01821445 -0.02084319
-2.32447198 16.78566747 12.40467592
-0.00055158 0.00076508 -0.00012332
0.01511600 -0.01779804 -0.00479950
-3.49608595 18.87781318 13.72234076
-0.00028409 -0.00070318 0.00119693
-0.00731569 0.00755415 0.00368761
-5.17254221 6.40629239 -11.37846632
-0.00056740 -0.00066818 0.00113581
0.02835121 -0.04226511 -0.00581112
-3.83997005 3.63512946 -12.47024143
-0.00109300 0.00008434 0.00030946
-0.00524189 0.04024073 0.03272765
-7.65835003 2.08102519 -7.40223805
0.00048583 -0.00045463 0.00017315
-0.00370609 -0.01636264 0.01776067
-6.15571327 3.38215601 -9.40190806
0.00051552 -0.00013845 -0.00017383
-0.04240329 -0.00687563 0.00303336
2.81003286 28.17401928 7.11925283
0.00061720 -0.00018888 -0.00015301
0.00559413 0.01363552 -0.03257543
0.83813201 28.37161202 9.26579119
0.00048464 0.00096980 -0.00016466
0.01577706 -0.00914168 -0.01114218
10.68140239 -7.48878515 -0.78339132
-0.00010406 0.00023846 -0.00005387
-0.01609124 0.01854857 -0.01442240
8.54722427 -7.13997696 -2.92886240
-0.00031305 -0.00002858 0.00016639
0.00811341 -0.00273765 0.01227498
-6.92488910 0.51850958 6.52282138
-0.00007491 -0.00065602 0.00098536
-0.02502138 -0.00348035 -0.00245843
-9.63317360 -0.40246029 7.02573091
0.00020050 0.00131751 0.00024254
-0.00720769 -0.00523385 0.00848490
21.69690582 10.28872488 9.94495790
-0.00037294 0.00077794 0.00071952
0.00500265 0.00046527 0.01227104
20.96369791 12.57140130 8.27911355
-0.00068108 0.00022944 0.00028660
-0.01652519 -0.02723219 0.00725328
-1.38090741 -3.49417534 -26.56034664
0.00088538 0.00060930 0.00009652
0.02407100 -0.03712209 0.02581767
-3.89083560 -2.11187959 -26.82453533
-0.00030927 0.00031555 0.00037493
-0.01601003 0.00052624 0.01003207
-13.86295228 7.19019165 9.21187269
0.00021061 0.00032238 0.00004953
-0.00209443 0.00590755 0.00171718
-15.50735532 7.14400149 6.81747056
-0.00027728 0.00056808 0.00074942
0.00160031 0.00740876 0.00085015
-11.27945825 7.55890126 -2.90527169
-0.00020270 0.00079856 0.00111378
-0.00984329 0.00308377 -0.00873912
-8.43203264 8.23333066 -3.55928655
-0.00007801 -0.00043068 0.00055717
-0.00722137 0.00756271 -0.01217374
-0.93942621 -17.09192065 23.13406133
0.00050825 0.00050865 -0.00071018
-0.01877477 0.00621262 0.00354779
-3.72382659 -15.56910366 23.94349145
-0.00005159 0.00037179 -0.00067095
0.06411876 -0.00640812 -0.01341756
-2.21659309 6.23679449 -8.02609853
-0.00001520 0.00054619 -0.00022704
-0.01780388 -0.00032473 0.00763330
-4.33373471 7.10081149 -6.01825391
-0.00131543 -0.00077557 0.00048698
-0.00126936 0.00504841 -0.00421673
-21.32669697 29.93484049 3.08655935
0.00037186 -0.00052221 0.00040664
-0.00119056 0.00926734 0.00115249
-21.15916745 31.20514554 5.72732939
0.00082856 -0.00087470 -0.00041797
0.00844885 0.00024171 -0.02250917
7.04590365 -0.32893281 5.98849654
-0.00030912 0.00052140 0.00000573
0.00213026 0.02764028 0.02434874
7.65822022 2.04589196 8.03317970
-0.00034986 0.00053720 -0.00042318
-0.00990201 -0.00143225 -0.01351515
7.12689668 12.73927816 -14.06813596
0.00016797 0.00028422 0.00078002
-0.00951253 -0.00602261 0.01834539
4.51232027 11.78115832 -14.81864297
0.00137130 -0.00017225 0.00085084
-0.02972720 0.00561041 -0.03102536
14.41730467 3.69408980 -2.98626487
-0.00028432 -0.00003846 0.00064985
-0.00131805 0.00533085 0.00366839
14.98172966 1.11625616 -1.95968993
-0.00028201 0.00030585 -0.00007805
-0.00975344 -0.03506261 0.00253835
-2.65333141 13.10261044 -0.44284848
-0.00002948 -0.00063631 -0.00027075
0.00734836 -0.00561185 0.00742765
-5.44865755 12.95763896 0.58375297
-0.00066108 0.00042165 -0.00007298
-0.00229546 -0.00366540 0.00947850
3.65646592 10.89479736 3.47039138
-0.00009645 0.00170219 -0.00082841
-0.00211754 0.00452407 -0.00722989
6.46103550 11.77877845 2.96715730
-0.00015751 -0.00070324 -0.00035077
-0.02772324 0.00482484 0.00781071
25.20807160 -12.55776636 -8.27381190
0.00035762 0.00056995 -0.00021878
0.00068245 0.00064478 -0.01389314
26.55638620 -11.63803658 -10.95097110
-0.00033863 -0.00035849 0.00090653
-0.00136621 0.00184647 0.00140887
14.81257475 -3.72017506 -0.32344138
0.00105604 0.00068229 0.00119235
0.00214051 0.00312277 0.00197679
17.11198276 -5.41718030 -0.60822166
-0.00059503 0.00025386 0.00035079
0.00799385 -0.03290661 -0.00261499
12.40060255 8.03649975 11.89380861
-0.00003851 -0.00035797 -0.00059850
0.00150617 -0.00945232 -0.02922266
13.47563816 9.73798524 9.82920201
0.00005265 0.00003486 0.00017280
-0.00078889 0.00508258 -0.01549348
-0.11697784 -14.67340852 17.21151142
-0.00015117 -0.00087758 0.00003665
0.00424123 0.01347826 0.00608605
1.48386379 -12.32892763 18.33203555
0.00032170 -0.00077102 0.00011093
-0.00371103 -0.00328640 0.00183710
-3.88792374 -2.30305271 -13.40003603
-0.00041699 -0.00000447 0.00109199
0.00062030 -0.02077650 0.01733140
-3.32650356 -1.04216207 -15.97752701
-0.00036628 -0.00051213 0.00091253
-0.00484834 0.00426601 0.02720969
14.52263271 -8.21035795 -10.56591781
0.00132512 0.00022845 0.00062803
-0.00532024 0.00028525 0.01306689
16.29735349 -6.39709573 -9.44940428
-0.00050885 0.00023397 0.00075365
0.02552845 0.02822098 0.00664616
6.87593945 -6.01194551 8.82240273
-0.00098274 -0.00052288 -0.00073748
-0.00144859 0.01223646 -0.00502961
9.52687850 -6.49908016 7.54526097
0.00072289 -0.00077857 0.00035850
0.01858201 0.02100704 -0.02619649
-21.77738199 2.01993473 20.98784401
-0.00066826 -0.00009851 -0.00030362
0.00927754 -0.00173947 0.01767576
-22.12887227 1.21595722 23.90008573
-0.00057505 0.00111365 -0.00005009
-0.00628582 -0.00932117 -0.00582085
26.70225443 -2.96467718 -6.58593670
0.00014672 0.00017401 -0.00022575
0.00211086 -0.00144159 0.00607938
25.22858685 -1.49096557 -8.55919306
0.00015797 0.00018362 -0.00042154
0.00254428 -0.01499618 0.00194667
9.50094778 -15.71475849 -7.64222184
0.00066791 -0.00046145 0.00026490
0.00081707 -0.00894080 -0.00102784
9.15935558 -12.94092710 -6.82509790
0.00058378 -0.00037474 0.00024541
0.00275474 -0.00061334 -0.01029034
-6.01250384 -11.29971040 18.13878257
0.00004843 -0.00015268 0.00075171
0.01652952 0.02266188 0.02017953
-7.17468502 -11.43168068 15.51758313
0.00037514 -0.00014811 -0.00035620
0.00064546 0.00170441 0.00168182
8.45912965 1.51206892 -29.30141098
-0.00004669 -0.00073082 -0.00010237
0.00099822 -0.02418770 -0.00610779
6.19510361 3.40367712 -29.95817602
-0.00046903 -0.00035470 0.00050801
0.02357356 -0.02028925 -0.00256714
12.68467228 15.46827690 14.67656377
-0.00004806 -0.00040738 0.00055750
-0.00915955 -0.01284036 -0.01008703
11.16086930 15.82009372 17.06335555
0.00020483 -0.00014944 -0.00070452
0.00102566 0.01221412 0.03808999
29.26774992 4.80816911 -4.45965453
-0.00026019 -0.00013854 -0.00052084
0.00656773 0.00495663 0.00403827
26.91803851 6.39619009 -3.95407521
0.00024917 0.00010418 -0.00014004
0.01495035 0.00824416 0.01452346
-9.94126891 4.85297358 6.67934283
-0.00000452 0.00005136 -0.00024251
-0.00252470 0.01188480 0.00125786
-8.73214927 13.32351348 2.59553739
-0.00008552 0.00006541 -0.00000415
-0.00358411 -0.00191363 0.00129643
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09454670
0.29896518
398.35610997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4349221298 (a.u.)
total exchange computation time: 2.7029910088 s
-154.4844586256
-931.39593896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4339604798 (a.u.)
total exchange computation time: 2.7026150227 s
-154.4931866429
Anderson extrapolation: theta=1.3694943219 (1.3694943219)
-931.39615695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4325182961 (a.u.)
total exchange computation time: 2.7021200657 s
-154.5059749895
Anderson extrapolation: theta=0.0592970242 (0.0592970242)
-931.39629080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.881 s
total exchange = -52.4323375024 (a.u.)
total exchange computation time: 2.7034509182 s
-154.5074040024
Anderson extrapolation: theta=2.1020955019 (2.0000000000)
-931.39629671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4319515951 (a.u.)
total exchange computation time: 2.7063121796 s
-154.5103644847
Anderson extrapolation: theta=0.2904881111 (0.2904881111)
-931.39630334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4318391260 (a.u.)
total exchange computation time: 2.7017920017 s
-154.5111496674
Anderson extrapolation: theta=1.4733001057 (1.4733001057)
-931.39630468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4317015148 (a.u.)
total exchange computation time: 2.7023599148 s
-154.5120300004
Anderson extrapolation: theta=0.3552271295 (0.3552271295)
-931.39630580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4316821845 (a.u.)
total exchange computation time: 2.7019419670 s
-154.5120728284
Anderson extrapolation: theta=1.0536945853 (1.0536945853)
-931.39630606
-116.544139 67.429430 141.888041
559.558160 1031.469039 -410.823012
443.014022 1098.898469 -268.934971
1214.975427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1316387236
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4316851079 (a.u.)
total exchange computation time: 2.7027800083 s
679.94349240
-1085.68268745
89.68905952
-387.88345185
-175.03103365
79.36060951
551.60419304
0.00000000
-931.39630614
4.00426183 -30.97969208 -2.25704682
0.00018543 -0.00053262 0.00011718
0.01187890 -0.01080232 0.00442190
-11.50925569 -1.73057525 -9.26781344
0.00013990 0.00039429 -0.00005623
0.01231398 0.01603761 0.02024255
-37.49136814 2.45026158 0.16100979
-0.00000508 -0.00011956 0.00019528
-0.00517012 -0.03379825 0.02395871
-11.71091627 -4.16264184 3.89418088
-0.00000818 -0.00010205 0.00015936
-0.03295584 0.01989888 0.01298855
4.22169401 -3.97247713 9.15059046
-0.00020514 -0.00006011 -0.00033850
-0.00854281 -0.03300568 0.01028876
-32.22293565 -0.39440120 -0.33100364
-0.00052702 0.00033517 0.00040387
-0.00364779 -0.02481948 -0.00640234
14.45179099 12.55453538 -13.73177386
-0.00039059 -0.00013748 0.00023585
-0.03286257 0.01038202 -0.06086584
-7.71503978 6.05401232 2.61507277
-0.00002986 0.00012300 0.00034415
-0.00555321 0.01074501 0.00628612
7.52012792 12.48057392 -5.91455146
-0.00036441 -0.00038623 -0.00025137
-0.00464022 -0.01047816 0.01859625
8.83135122 9.90915538 -18.96199528
-0.00006987 0.00007888 -0.00003713
-0.00305843 -0.00093335 0.00391198
23.26593096 17.33265523 -2.21155393
-0.00030712 -0.00000753 -0.00009472
0.00266487 -0.02819414 -0.00241891
2.15956884 16.83143333 -19.59173900
-0.00022895 -0.00001402 -0.00003037
-0.01415624 0.01563047 -0.03089190
14.02631924 -1.12679440 -5.68654066
-0.00005643 0.00027754 -0.00024909
-0.01698658 0.00338120 -0.00863555
-16.06761839 -1.40468690 3.21566102
-0.00006881 0.00012209 0.00006868
0.02944213 0.01902717 0.01534419
-16.53778729 -2.00101627 18.92522724
0.00059876 -0.00026966 -0.00025630
-0.02078055 0.01244857 -0.00303559
0.41405461 2.03204601 -4.89159247
0.00010948 -0.00003080 0.00020886
0.00784827 0.01644346 0.00429546
22.65985961 -7.12400048 -8.84028983
0.00020710 0.00008166 0.00007451
-0.00528342 0.01098854 0.00032782
-0.71330177 -6.32832435 7.24656934
-0.00022636 0.00010049 0.00005577
0.00178829 -0.00930913 -0.00289549
-1.75240186 -1.37043146 -19.34405565
0.00007290 0.00014613 0.00008050
0.02875909 -0.02501170 0.01999376
3.22229088 1.88386710 -9.31185076
-0.00005842 -0.00033015 -0.00006779
-0.01664218 0.01222885 0.02884475
-3.84529676 17.76385008 12.30973819
0.00019916 -0.00029877 -0.00007589
-0.00051698 0.02714485 -0.00195771
-3.84374936 4.99885329 -11.07407143
0.00001668 0.00010983 -0.00012600
-0.01760695 0.00303625 -0.03678444
-7.97793669 2.87910202 -8.96798829
0.00003991 -0.00026206 0.00004382
0.04526939 0.02479552 -0.01930979
2.34074093 27.45664813 8.65950072
0.00022895 0.00003658 0.00029308
-0.02881940 -0.00732227 0.04191479
9.71389832 -6.22819121 -1.82412817
-0.00027355 -0.00008888 0.00012663
0.00657593 -0.01324110 0.00700248
-8.74738307 0.80263237 6.01842967
-0.00003432 0.00004659 0.00004891
0.03631172 0.00310909 -0.00431989
20.35459086 10.81717269 8.84727217
0.00010596 0.00010898 -0.00017866
0.01101771 0.03041073 -0.02070510
-2.16408771 -2.14016861 -27.34344954
0.00043543 -0.00005055 -0.00034562
-0.02158356 0.03611861 -0.03343019
-14.32135505 6.17050006 7.78311976
0.00010798 -0.00010271 0.00029057
0.00858329 -0.01355709 -0.00228956
-9.55877783 7.30456078 -2.45604538
0.00006814 -0.00000469 0.00027729
-0.00795203 -0.02384877 0.03443564
-1.78902961 -15.44259565 23.49398176
-0.00005229 0.00034904 -0.00034526
-0.04038816 -0.00192381 0.01165662
-2.69272647 6.32638395 -6.23905495
0.00002049 0.00000273 0.00019784
0.01235494 -0.00562766 -0.00388950
-20.11917426 30.83021546 4.20197415
-0.00043150 -0.00068061 -0.00013248
-0.01661580 -0.01317070 0.02653410
7.62915088 0.24499037 7.72363518
0.00011559 0.00020496 -0.00035300
0.00354853 -0.01570078 -0.00379314
5.71748703 11.54771580 -13.57342029
-0.00002103 -0.00002398 0.00021946
0.04104037 -0.01921571 0.02538034
15.52289818 2.77469283 -1.86015245
-0.00000801 -0.00016843 0.00020696
0.02270017 0.04775553 0.00353866
-4.38743655 13.37142859 -0.83591637
-0.00010762 -0.00036219 0.00025246
-0.00052787 0.00472185 -0.02484316
4.65183754 12.41331146 2.97228207
0.00013621 -0.00007298 -0.00043211
0.02929627 0.01232460 -0.01080752
25.05023826 -11.59619323 -9.85814734
0.00021696 0.00020866 -0.00033680
-0.01244675 -0.00740328 0.02406437
16.61405745 -3.70623101 -0.59992386
0.00024688 0.00022263 -0.00026251
-0.00105944 0.03635838 -0.00033893
13.07159407 7.97337548 10.10037310
0.00026975 0.00004825 0.00029101
0.00190077 -0.00720716 0.03245823
1.58641703 -14.00783903 17.63410640
0.00004934 0.00000062 -0.00006062
0.00706277 -0.01057890 -0.01079738
-4.01498278 -0.72453135 -14.22797325
0.00057230 0.00000874 -0.00002901
0.00413543 0.02004540 -0.04111388
15.08996814 -7.62053980 -8.88765463
-0.00015087 0.00031785 -0.00002446
-0.03028190 -0.03894493 -0.00705442
8.43159199 -6.99364265 8.83455269
-0.00017592 -0.00019546 0.00021620
-0.00408257 -0.01170970 0.02383963
-21.17542617 2.28325025 22.75601897
0.00020362 -0.00000682 0.00020363
0.00142685 0.01464968 -0.02355800
25.68876299 -3.26265156 -8.07413327
-0.00004828 0.00003413 -0.00023811
0.00269929 0.02941635 -0.00458152
9.86628441 -14.00292749 -8.17080832
0.00009687 0.00031065 -0.00049171
-0.00493252 0.00137394 0.01186242
-6.71052079 -12.44790888 16.97185955
-0.00017260 -0.00003261 0.00002708
0.00463495 -0.00350061 -0.02766202
7.96898024 3.21930410 -29.35132422
-0.00046707 -0.00028642 0.00003676
-0.02236214 0.03327316 -0.00112898
10.89465051 15.41043127 15.36908516
0.00030395 0.00024366 0.00008102
0.01464109 0.01336650 -0.04058011
28.68138791 6.16353676 -3.32814931
0.00010940 0.00024997 -0.00023064
-0.01966099 -0.00529884 -0.01427332
5.45311650 -31.39443344 -3.38322903
-0.00026902 -0.00061392 -0.00050933
-0.01186407 0.00016635 0.00994412
4.43103267 -31.39386961 -0.46935048
0.00058837 0.00070799 0.00015210
-0.00391012 -0.00041636 -0.01280171
-11.75358264 -3.43507597 -8.76463285
-0.00058332 0.00056878 -0.00059343
-0.00681468 -0.02124198 -0.00033158
-12.50838458 -1.33723080 -10.68068684
0.00020715 0.00059073 -0.00015584
-0.01640679 0.00216441 -0.02252985
-39.06605417 1.96478328 1.00702254
-0.00029740 -0.00018767 0.00067844
0.01300466 0.00693894 -0.00306136
-37.92768293 3.82337937 -0.87594651
-0.00014173 0.00023448 -0.00040268
-0.00705252 0.03123411 -0.02190808
-10.59462162 -5.49143493 3.53795229
-0.00012669 -0.00049674 -0.00045620
0.02096220 -0.03653768 -0.00993964
-10.70099464 -2.71261432 3.65772184
-0.00045820 0.00029211 0.00023488
0.01526005 0.02159150 0.00084793
4.74555424 -2.47354258 8.39026411
-0.00100818 -0.00002013 0.00027830
0.01213636 0.03401549 -0.02013848
4.42988069 -3.60273197 10.93265390
-0.00123235 -0.00020718 -0.00042366
-0.00302584 -0.00402391 0.00778537
-33.56661154 -1.63329639 -0.45543039
-0.00082098 0.00055055 0.00099852
-0.00091259 0.00745301 0.00363896
-32.70641669 0.82619989 0.91023581
-0.00024147 -0.00013138 -0.00059942
-0.00712801 0.00655132 0.00206910
14.26375818 12.63020232 -15.73796842
-0.00123220 0.00019949 0.00048728
0.00069811 0.00124279 0.05559348
16.16257757 12.18326485 -13.50967029
0.00069055 0.00062195 0.00011471
0.04129591 -0.00751304 0.00206705
-8.69957631 7.26189184 1.63891237
0.00011645 0.00054297 -0.00019826
0.00447095 0.00093506 0.00183588
-7.42665811 4.80304131 1.33491878
0.00022100 -0.00022782 -0.00133492
0.00442987 -0.01513792 -0.01080343
6.10303618 12.32421831 -7.00712480
0.00017425 0.00014447 -0.00031719
-0.00771684 0.00080582 -0.01389801
8.82390309 13.62241709 -6.67915146
0.00055960 0.00016130 -0.00009558
0.00171336 -0.00091440 -0.00460946
8.50200623 8.85281384 -20.36917578
-0.00010752 -0.00058285 0.00013840
-0.00785159 -0.02053817 -0.01234146
9.93396900 11.12264443 -19.72297910
0.00057270 0.00001779 -0.00001673
0.02336213 0.01272323 0.00446734
23.84335483 15.55436069 -2.65309480
0.00066890 0.00073288 -0.00020787
-0.00117334 0.02566260 0.00400434
24.85230714 18.25580872 -2.28720212
-0.00046245 0.00032169 -0.00052640
0.00039807 0.00681908 -0.01069623
1.70516403 16.84167205 -21.51012251
0.00067266 0.00012940 -0.00065638
0.00250791 0.00075266 0.03729324
3.40363658 15.50648138 -19.39222301
0.00108832 0.00024595 -0.00096495
0.00290058 -0.01164413 0.00461533
12.44154205 -0.80123326 -6.63044828
-0.00021101 -0.00119569 -0.00051740
0.01970070 -0.00854761 -0.01164593
13.35376416 -0.99752313 -4.03217094
0.00020485 0.00053391 -0.00013334
0.00007045 -0.00278844 0.02340071
-17.47870942 -2.25776095 2.56771180
0.00031514 0.00128994 -0.00011549
-0.02308249 -0.02666374 -0.00246411
-14.59450398 -2.50922980 3.32990146
-0.00016250 -0.00046349 -0.00126963
-0.00925321 -0.01068250 -0.00810267
-16.59988394 -0.65900091 20.18261530
-0.00064371 -0.00082597 -0.00046813
0.00549500 0.00716651 -0.00370724
-15.41468641 -3.19423516 19.60443466
0.00005695 0.00037352 0.00038733
0.02190911 -0.01893341 0.01140693
-0.51811744 0.39801572 -4.92719903
0.00075771 0.00031003 0.00038178
-0.00869140 0.01146813 -0.00483755
-0.71257969 3.51026666 -4.96925810
-0.00066510 0.00005892 0.00010707
-0.00374966 -0.01975473 -0.00004234
23.51243964 -8.68801225 -9.10148657
-0.00020552 -0.00076447 -0.00004792
0.00236441 -0.02495738 -0.00740913
24.07341796 -5.96916920 -8.71831195
0.00022037 0.00067136 0.00040573
-0.00448937 0.01308325 0.00596506
0.23938204 -6.16651552 5.65998375
0.00000863 -0.00040221 -0.00008377
-0.00179777 0.00085119 0.01160369
0.46028473 -6.02364007 8.62503705
0.00104987 -0.00132042 -0.00048912
0.00232809 0.00587213 -0.00791087
-0.56074238 -2.86468167 -19.12852409
0.00043351 -0.00012649 -0.00105963
-0.02411588 0.02920758 -0.00622410
-2.98179491 -1.85890680 -20.58439879
-0.00021262 -0.00064735 -0.00025792
-0.01034737 -0.00892237 -0.00907262
2.58366573 2.64974725 -10.84949825
0.00032803 0.00093619 0.00111543
0.00373475 0.00223422 -0.00171278
2.12984631 2.50382841 -7.84820260
-0.00023093 -0.00120879 0.00028319
0.01208772 -0.01799353 -0.02114774
-2.33228251 16.79659835 12.40267898
-0.00047387 0.00068175 -0.00014296
0.02292560 -0.02299345 -0.00481195
-3.50057147 18.86749702 13.74040767
-0.00031543 -0.00067766 0.00120432
-0.00802602 0.00493413 -0.00006816
-5.18018447 6.39497462 -11.36160729
-0.00045390 -0.00083699 0.00111027
0.02720656 -0.04036915 -0.00669103
-3.85652572 3.63762759 -12.46459672
-0.00111306 0.00024618 0.00044027
-0.00457799 0.03898439 0.03130444
-7.65117615 2.07370435 -7.39909661
0.00046952 -0.00051937 0.00024097
-0.00427895 -0.01532888 0.01543747
-6.14927989 3.37986851 -9.40442256
0.00033811 -0.00016778 -0.00016008
-0.04443780 -0.00748209 0.00369805
2.81946222 28.17160394 7.11595944
0.00063789 -0.00013724 -0.00027842
0.00453465 0.01164062 -0.02881400
0.84588505 28.38587891 9.26297988
0.00054960 0.00093147 -0.00021010
0.01602080 -0.00962380 -0.01110316
10.67934836 -7.48463985 -0.78464134
-0.00016853 0.00031181 -0.00011119
-0.01546463 0.01735507 -0.01363371
8.54277714 -7.14048962 -2.92599040
-0.00028018 -0.00004023 0.00021622
0.00797508 -0.00296455 0.01211870
-6.92677941 0.50856262 6.53752650
-0.00017821 -0.00066816 0.00097303
-0.02554662 -0.00246427 -0.00357777
-9.63038693 -0.38285800 7.02962903
0.00016207 0.00128649 0.00028495
-0.01160432 -0.00995335 0.01227535
21.69146499 10.30040831 9.95612665
-0.00035231 0.00077990 0.00076930
0.00509624 0.00049282 0.01209692
20.95297532 12.57400840 8.28363476
-0.00074669 0.00012048 0.00031478
-0.01559159 -0.02610277 0.00654369
-1.36688906 -3.48617338 -26.55810778
0.00098296 0.00045692 0.00020289
0.02369465 -0.03746642 0.02625232
-3.89596528 -2.10713025 -26.81860389
-0.00035835 0.00031652 0.00041180
-0.00801576 -0.00004903 0.00801537
-13.85985734 7.19520838 9.21266819
0.00020257 0.00034505 0.00005642
-0.00183930 0.00519072 0.00165837
-15.51146551 7.15274968 6.82873789
-0.00026701 0.00059440 0.00075509
0.00342763 0.00547451 0.00192850
-11.28280033 7.57097408 -2.88883272
-0.00023948 0.00081083 0.00107865
-0.00816067 0.00292322 -0.00845942
-8.43342413 8.22710216 -3.55130205
-0.00010393 -0.00039594 0.00050313
-0.00546332 0.00944570 -0.01427997
-0.93237776 -17.08410054 23.12351739
0.00042985 0.00053553 -0.00069489
-0.01960446 0.00694725 0.00393741
-3.72263563 -15.56372324 23.93301597
0.00020914 0.00034475 -0.00072512
0.06350915 -0.00682792 -0.01309831
-2.21736659 6.24497733 -8.02927023
-0.00008918 0.00054472 -0.00019113
-0.01841241 -0.00039480 0.00994604
-4.35350505 7.08933262 -6.01107847
-0.00130818 -0.00075986 0.00046815
0.00482030 0.00264466 -0.00500026
-21.32115551 29.92729138 3.09269420
0.00036020 -0.00048911 0.00040583
-0.00452028 0.00693202 -0.00154557
-21.14648008 31.19203246 5.72037002
0.00085536 -0.00087158 -0.00050031
0.00466611 0.00128417 -0.01779523
7.04133210 -0.32026476 5.98932860
-0.00030080 0.00063206 0.00010203
0.00194378 0.02652759 0.02279298
7.65266892 2.05390610 8.02641778
-0.00039016 0.00052683 -0.00047846
-0.00982597 -0.00364540 -0.01354321
7.12912478 12.74335694 -14.05587356
0.00012866 0.00025831 0.00085517
-0.00973248 -0.00666188 0.01844164
4.53197886 11.77874645 -14.80683101
0.00122942 -0.00014606 0.00070325
-0.03972491 0.00720945 -0.04122247
14.41299942 3.69367622 -2.97640469
-0.00028992 -0.00001576 0.00066423
-0.00142344 0.00578066 0.00337100
14.97720061 1.11976942 -1.96078288
-0.00032357 0.00015657 -0.00006738
-0.01058935 -0.03800844 0.00268241
-2.65354841 13.09289383 -0.44668219
-0.00000062 -0.00065947 -0.00023929
0.00677767 -0.00572697 0.00797671
-5.45864410 12.96385143 0.58294867
-0.00066976 0.00040572 -0.00003241
-0.00195443 -0.00413461 0.01038225
3.65495432 10.92046883 3.45774365
-0.00011294 0.00170734 -0.00085351
-0.00595377 -0.00200197 -0.00505558
6.45782335 11.76837776 2.96213504
-0.00026862 -0.00068416 -0.00031874
-0.02666643 0.00451322 0.00787078
25.21345684 -12.54919739 -8.27751935
0.00035957 0.00057190 -0.00027403
0.00027325 0.00030993 -0.01315359
26.55126493 -11.64335742 -10.93733003
-0.00033274 -0.00035090 0.00090299
0.00424955 0.00187052 -0.00314043
14.82848090 -3.70984498 -0.30549549
0.00105482 0.00069609 0.00120181
-0.00273695 0.00362989 0.00265184
17.10330222 -5.41438069 -0.60303995
-0.00056019 0.00011581 0.00033998
0.00906471 -0.03467386 -0.00267456
12.40007113 8.03084055 11.88393568
-0.00003455 -0.00039556 -0.00070988
0.00042816 -0.00895048 -0.02530109
13.47640373 9.73866383 9.83131931
0.00004974 0.00005627 0.00010973
-0.00063513 0.00539806 -0.01537974
-0.11911550 -14.68615926 17.21224760
-0.00012929 -0.00081891 0.00006311
0.00647173 0.01524439 0.00686921
1.48857552 -12.34059365 18.33375576
0.00030490 -0.00077458 0.00012267
-0.00451046 0.00154343 0.00390856
-3.89415958 -2.30375646 -13.38312502
-0.00041480 -0.00008132 0.00115820
0.00045307 -0.01684153 0.01507798
-3.33214632 -1.04971333 -15.96300531
-0.00038057 -0.00049714 0.00101183
-0.00214866 0.00307340 0.02139822
14.54234654 -8.20692250 -10.55609701
0.00129796 0.00022499 0.00066935
-0.00797505 -0.00197867 0.00716229
16.29050307 -6.39272146 -9.43789588
-0.00039918 0.00035407 0.00077878
0.02815278 0.03057156 0.00565498
6.86115395 -6.01941376 8.81118648
-0.00098164 -0.00047537 -0.00075836
0.00198952 0.01102152 -0.00519479
9.53829130 -6.51011505 7.54983573
0.00079378 -0.00069441 0.00025654
0.01611699 0.02019220 -0.02371482
-21.78712157 2.01840381 20.98383135
-0.00062656 -0.00010372 -0.00022326
0.01113249 -0.00081238 0.02166127
-22.13769060 1.23237631 23.89915606
-0.00060344 0.00107181 -0.00006919
-0.00761466 -0.01115681 -0.00353067
26.70451995 -2.96211116 -6.58913665
0.00015416 0.00016739 -0.00020291
0.00152733 -0.00179802 0.00510159
25.23103432 -1.48867074 -8.56545646
0.00016837 0.00012127 -0.00041349
0.00254792 -0.01552816 0.00199141
9.51099142 -15.72195427 -7.63827976
0.00067370 -0.00048604 0.00025625
0.00201683 -0.00309329 -0.00320945
9.16819672 -12.94656704 -6.82173203
0.00059444 -0.00037599 0.00020347
0.00246149 0.00000492 -0.01024126
-6.01127093 -11.30130611 18.15067664
0.00011197 -0.00006589 0.00082682
0.01457505 0.01982038 0.01658733
-7.16903809 -11.43385012 15.51229166
0.00037858 -0.00014140 -0.00034709
0.00103827 0.00158216 0.00277762
8.45845986 1.50036541 -29.30313365
-0.00004550 -0.00081944 -0.00012725
-0.00041486 -0.01918922 -0.00607071
6.18879046 3.39773491 -29.95063459
-0.00037497 -0.00043755 0.00049621
0.02247276 -0.02026697 -0.00320506
12.68367065 15.46177268 14.68461714
-0.00008122 -0.00045936 0.00051308
-0.00707109 -0.01260445 -0.01165685
11.16397313 15.81822643 17.05395488
0.00021047 -0.00009591 -0.00053370
0.00173599 0.01398776 0.04552930
29.26404829 4.80624292 -4.46734339
-0.00023335 -0.00011555 -0.00050217
0.00656997 0.00629881 0.00509898
26.92223421 6.39800549 -3.95573076
0.00030738 0.00013887 -0.00008133
0.01354334 0.00873494 0.01421524
-9.94134342 4.85377585 6.67570853
-0.00000541 0.00005563 -0.00024207
-0.00246960 0.01197198 0.00121500
-8.73343827 13.32449133 2.59547744
-0.00008637 0.00006497 -0.00000384
-0.00372708 -0.00188349 0.00131152
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09497199
0.30133415
401.51264161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4365981268 (a.u.)
total exchange computation time: 2.6065399647 s
-154.5035946203
-931.39900083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4356682981 (a.u.)
total exchange computation time: 2.6039009094 s
-154.5123106461
Anderson extrapolation: theta=1.3754001044 (1.3754001044)
-931.39921992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4343030498 (a.u.)
total exchange computation time: 2.6027820110 s
-154.5249840836
Anderson extrapolation: theta=0.0623367292 (0.0623367292)
-931.39935618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4341559780 (a.u.)
total exchange computation time: 2.6033248901 s
-154.5263081550
Anderson extrapolation: theta=2.1683236949 (2.0000000000)
-931.39936287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4338557210 (a.u.)
total exchange computation time: 2.6041560173 s
-154.5289706939
Anderson extrapolation: theta=0.3269116660 (0.3269116660)
-931.39937099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4337711422 (a.u.)
total exchange computation time: 2.6073789597 s
-154.5296858320
Anderson extrapolation: theta=1.2910924163 (1.2910924163)
-931.39937291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4336940782 (a.u.)
total exchange computation time: 2.6063420773 s
-154.5302980216
Anderson extrapolation: theta=0.4044751776 (0.4044751776)
-931.39937455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.4336938494 (a.u.)
total exchange computation time: 2.6049871445 s
-154.5302542905
Anderson extrapolation: theta=0.9418106976 (0.9418106976)
-931.39937504
-116.530184 67.481210 141.905387
559.561596 1031.470143 -410.795037
443.031412 1098.951353 -268.889650
1215.019569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1315089237
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4337157729 (a.u.)
total exchange computation time: 2.6028399467 s
679.96586925
-1085.73683089
89.68964382
-387.84827069
-175.03607101
79.39029720
551.60419304
0.00000000
-931.39937530
4.00708905 -30.98772309 -2.25527202
0.00019130 -0.00053785 0.00011915
0.01095202 -0.00950954 0.00321449
-11.50710973 -1.72459905 -9.26857881
0.00014600 0.00040287 -0.00004621
0.01140901 0.01732671 0.01873008
-37.49146428 2.44833776 0.16403134
-0.00000871 -0.00013583 0.00020699
-0.00893245 -0.02947536 0.02159149
-11.71116613 -4.16409577 3.89662141
-0.00002458 -0.00009238 0.00016583
-0.03081775 0.01770270 0.01214893
4.21858398 -3.97350608 9.14555263
-0.00020980 -0.00007798 -0.00033318
-0.00957173 -0.03648241 0.01038649
-32.23085501 -0.38946934 -0.32497023
-0.00052840 0.00032079 0.00039909
-0.00174057 -0.03110971 -0.01221579
14.44580534 12.55251325 -13.72847082
-0.00040544 -0.00013257 0.00020520
-0.02487728 0.00872363 -0.05835896
-7.71550907 6.05589883 2.62025924
-0.00003271 0.00012710 0.00034474
-0.00552201 0.00517953 -0.00399974
7.51464383 12.47474006 -5.91825025
-0.00036513 -0.00039067 -0.00024175
0.00184741 -0.00678704 0.01882224
8.83029133 9.91033493 -18.96253710
-0.00007118 0.00007850 -0.00003585
-0.00202574 -0.00052783 0.00107157
23.26133452 17.33243356 -2.21298401
-0.00030540 -0.00002143 -0.00009594
0.00401950 -0.02588531 -0.00232927
2.15608001 16.83128328 -19.59231378
-0.00023523 -0.00000700 -0.00004670
-0.01027846 0.01167602 -0.03259172
14.02540731 -1.12261822 -5.69031031
-0.00006506 0.00027917 -0.00025332
-0.01657986 0.00295055 -0.00781968
-16.06853702 -1.40278217 3.21675037
-0.00005203 0.00013226 0.00007713
0.03580563 0.02053214 0.01753089
-16.52888606 -2.00501311 18.92137105
0.00058742 -0.00026318 -0.00025885
-0.02332586 0.01274323 -0.00689159
0.41572706 2.03164749 -4.88844304
0.00011342 -0.00002088 0.00021108
0.00749245 0.02212750 0.00436257
22.66294568 -7.12273315 -8.83917087
0.00020526 0.00008668 0.00007458
-0.00186422 0.00852546 -0.00005327
-0.71669034 -6.32685291 7.24739467
-0.00022484 0.00009579 0.00005425
0.00413495 -0.00896400 -0.00299554
-1.75119737 -1.36833601 -19.34277097
0.00008692 0.00013247 0.00008961
0.02575849 -0.02809698 0.01542968
3.22135033 1.87896206 -9.31275631
-0.00006670 -0.00032435 -0.00005191
-0.01552862 0.01031232 0.03289650
-3.84231143 17.75947319 12.30859230
0.00019713 -0.00028283 -0.00007593
-0.00736846 0.03486369 0.00177938
-3.84356700 5.00051239 -11.07610338
0.00000790 0.00011130 -0.00014418
-0.01654569 0.00269212 -0.03389418
-7.97716348 2.87526678 -8.96740540
0.00006363 -0.00024958 0.00003453
0.04698485 0.02374590 -0.01683022
2.34406399 27.45716861 8.66405866
0.00021455 0.00003351 0.00031331
-0.02716758 -0.00461474 0.03672916
9.70982041 -6.22957554 -1.82220171
-0.00027037 -0.00009519 0.00012998
0.00579667 -0.01126375 0.00601498
-8.74775785 0.80334325 6.01914659
-0.00001452 0.00004901 0.00004605
0.04067595 0.00628658 -0.00679170
20.35622281 10.81892470 8.84451247
0.00011147 0.00012411 -0.00018890
0.01037736 0.02841358 -0.01911444
-2.15763953 -2.14078760 -27.34876283
0.00042257 -0.00003230 -0.00036213
-0.02840754 0.03487376 -0.03076244
-14.31970224 6.16890715 7.78746949
0.00011186 -0.00010895 0.00028917
0.00650397 -0.01070659 -0.00314664
-9.55778636 7.30439840 -2.45175322
0.00006310 -0.00001733 0.00029533
-0.01165502 -0.02528679 0.03573950
-1.78996973 -15.43736750 23.48884787
-0.00007252 0.00034793 -0.00033954
-0.03829855 -0.00238478 0.01057714
-2.69237147 6.32640317 -6.23610230
0.00002550 0.00000039 0.00019554
0.00711792 -0.00345615 -0.00505718
-20.12571079 30.81995548 4.20008927
-0.00043788 -0.00068683 -0.00011948
-0.00821754 -0.01099321 0.02401005
7.63089845 0.24800420 7.71832556
0.00011755 0.00019777 -0.00035436
0.00408087 -0.01225431 -0.00148373
5.71732995 11.54728204 -13.57003047
0.00000230 -0.00003419 0.00023467
0.04967070 -0.02048485 0.03376780
15.52286553 2.77235054 -1.85703444
0.00000373 -0.00014365 0.00020880
0.02296769 0.04863140 0.00362896
-4.38905286 13.36601390 -0.83222534
-0.00010781 -0.00035965 0.00023941
-0.00021624 0.00516422 -0.02589511
4.65399369 12.41226428 2.96575867
0.00015202 -0.00006487 -0.00043817
0.03216568 0.01923348 -0.01272316
25.05344461 -11.59309181 -9.86310648
0.00020906 0.00020488 -0.00032334
-0.01828228 -0.00730743 0.02825510
16.61775662 -3.70275138 -0.60386289
0.00024739 0.00024126 -0.00026290
0.00304563 0.03608896 -0.00115994
13.07564763 7.97407146 10.10486343
0.00027111 0.00004437 0.00030642
0.00340657 -0.00786956 0.02747901
1.58718430 -14.00787057 17.63315547
0.00005263 -0.00000643 -0.00006689
0.00573667 -0.01681187 -0.01358153
-4.00638237 -0.72432285 -14.22856699
0.00057360 0.00001820 -0.00004762
0.00092883 0.01672288 -0.03126480
15.08758831 -7.61592222 -8.88804874
-0.00016614 0.00029799 -0.00002632
-0.02910545 -0.03831825 -0.00017848
8.42893750 -6.99661978 8.83788764
-0.00017805 -0.00020070 0.00022764
-0.00423290 -0.00864437 0.02064432
-21.17236630 2.28320450 22.75898260
0.00020426 0.00000089 0.00019015
0.00104957 0.01533404 -0.02888272
25.68804921 -3.26202616 -8.07772262
-0.00004669 0.00004940 -0.00024017
0.00346688 0.02997261 -0.00343588
9.86771840 -13.99826237 -8.17813820
0.00009405 0.00030967 -0.00048509
-0.00601796 -0.00521335 0.01388859
-6.71309187 -12.44841152 16.97215910
-0.00016970 -0.00003356 0.00001373
0.00664646 -0.00020281 -0.02427605
7.96188787 3.21513619 -29.35077721
-0.00047768 -0.00027075 0.00003639
-0.01886163 0.02766182 -0.00028926
10.89926619 15.41413770 15.37014394
0.00031043 0.00025001 0.00005916
0.01058647 0.01135397 -0.04441421
28.68295314 6.16726589 -3.33166391
0.00009986 0.00024674 -0.00023812
-0.01744062 -0.00726982 -0.01482579
5.44871760 -31.40363721 -3.39056427
-0.00031656 -0.00061327 -0.00046781
-0.01140543 0.00015578 0.01037820
4.43973842 -31.38326249 -0.46746130
0.00057311 0.00070472 0.00010080
-0.00355856 -0.00118513 -0.01230691
-11.76254132 -3.42719516 -8.77354450
-0.00061115 0.00047908 -0.00059367
-0.00680732 -0.02266579 0.00021726
-12.50578015 -1.32830350 -10.68371477
0.00014181 0.00060010 -0.00024607
-0.01557481 0.00241930 -0.02164049
-39.07011673 1.96218084 1.01710540
-0.00023905 -0.00015708 0.00066219
0.01556049 0.00803684 -0.00489520
-37.93002497 3.82785370 -0.88265812
-0.00016787 0.00035163 -0.00048416
-0.00574572 0.02611285 -0.01797614
-10.59587959 -5.50000560 3.53080465
-0.00004536 -0.00063867 -0.00049566
0.01885049 -0.03293761 -0.00937558
-10.70740006 -2.70757110 3.66127107
-0.00039621 0.00037765 0.00023880
0.01508482 0.02028334 0.00106782
4.73080339 -2.47280222 8.39382157
-0.00095665 0.00012512 0.00019244
0.01308998 0.03708461 -0.02189020
4.41130278 -3.60596301 10.92653758
-0.00124387 -0.00022354 -0.00038893
-0.00261490 -0.00398113 0.00921286
-33.57895418 -1.62480981 -0.44034111
-0.00082366 0.00058074 0.00101231
-0.00040132 0.00732767 0.00311176
-32.71025723 0.82442998 0.90130791
-0.00027482 -0.00009124 -0.00057821
-0.00919636 0.01309594 0.00831197
14.24529662 12.63323275 -15.72895560
-0.00122722 0.00020383 0.00071280
0.00173852 0.00088318 0.05480003
16.17420123 12.19236382 -13.50788627
0.00084123 0.00059516 0.00011947
0.03246326 -0.00560058 0.00026240
-8.69769253 7.27006502 1.63599467
0.00013812 0.00054235 -0.00018664
0.00613444 -0.00123552 0.00385404
-7.42320741 4.79916008 1.31456397
0.00023555 -0.00027422 -0.00136223
0.00269290 -0.00757164 -0.00256578
6.10541348 12.32640998 -7.01230851
0.00013748 0.00014730 -0.00037840
-0.01028054 0.00058193 -0.01606428
8.83234954 13.62480857 -6.68072643
0.00056023 0.00015203 -0.00011047
-0.00140349 -0.00362095 -0.00267989
8.50015286 8.84344174 -20.36747794
-0.00013785 -0.00066274 0.00009215
-0.00699440 -0.01856700 -0.01030063
9.94327532 11.12330114 -19.72309323
0.00066386 0.00006498 0.00000323
0.02126564 0.01037493 0.00530721
23.85335241 15.56614028 -2.65609009
0.00066347 0.00083156 -0.00019257
-0.00148526 0.02264128 0.00348217
24.84538257 18.26084296 -2.29542591
-0.00046190 0.00035011 -0.00056964
-0.00012702 0.00709628 -0.01046702
1.71533072 16.84363606 -21.51882542
0.00068136 0.00013301 -0.00050057
0.00175473 0.00101767 0.03897610
3.42005031 15.50981383 -19.40655588
0.00109320 0.00020548 -0.00094541
-0.00051440 -0.00816439 0.00494949
12.43898062 -0.81943060 -6.63856612
-0.00013074 -0.00122941 -0.00056427
0.01958886 -0.00795613 -0.01129938
13.35683904 -0.98959991 -4.03345402
0.00020480 0.00052250 -0.00003960
-0.00009157 -0.00279856 0.02248495
-17.47468965 -2.23922889 2.56590396
0.00020936 0.00117544 -0.00013101
-0.02869467 -0.02938710 -0.00513559
-14.59722498 -2.51650948 3.31060876
-0.00020210 -0.00050448 -0.00130130
-0.01013495 -0.00938286 -0.00740060
-16.60937127 -0.67117091 20.17547973
-0.00062191 -0.00079069 -0.00047865
0.00517879 0.01010463 -0.00144007
-15.41316084 -3.18921253 19.61059421
0.00015194 0.00028980 0.00043700
0.02458825 -0.02204801 0.01290539
-0.50701813 0.40301759 -4.92162049
0.00071827 0.00035037 0.00036143
-0.01061522 0.00827848 -0.00512857
-0.72267107 3.51054508 -4.96765341
-0.00067591 -0.00002673 0.00010676
-0.00154391 -0.02216828 -0.00010737
23.50942925 -8.70024407 -9.10243246
-0.00019869 -0.00085522 -0.00007647
0.00098084 -0.01946507 -0.00656414
24.07658598 -5.95869786 -8.71204323
0.00019819 0.00071855 0.00042924
-0.00636690 0.01001354 0.00554545
0.23945646 -6.17252257 5.65908274
-0.00000097 -0.00039897 -0.00003547
-0.00290509 0.00073421 0.01203893
0.47610415 -6.04326646 8.61745777
0.00105661 -0.00129643 -0.00052214
0.00097160 0.00587182 -0.00824846
-0.55497879 -2.86568402 -19.14460928
0.00033428 -0.00000482 -0.00108324
-0.02445678 0.03035212 -0.00533357
-2.98530122 -1.86889050 -20.58854556
-0.00024824 -0.00067971 -0.00028765
-0.00709234 -0.00691735 -0.00548014
2.58870059 2.66385853 -10.83281931
0.00034022 0.00094844 0.00110004
0.00223101 0.00376432 -0.00582039
2.12675280 2.48514525 -7.84460281
-0.00018111 -0.00128130 0.00019708
0.01229803 -0.01750446 -0.02100128
-2.33868803 16.80612004 12.40038714
-0.00036507 0.00057806 -0.00016251
0.03033363 -0.02776584 -0.00476045
-3.50554888 18.85748327 13.75847040
-0.00034934 -0.00066269 0.00119648
-0.00857358 0.00239372 -0.00376975
-5.18615935 6.38118278 -11.34515833
-0.00034632 -0.00099662 0.00108112
0.02545808 -0.03777319 -0.00757602
-3.87336196 3.64251492 -12.45703348
-0.00113038 0.00040126 0.00056376
-0.00390064 0.03692652 0.02914798
-7.64426452 2.06544406 -7.39500906
0.00045062 -0.00057923 0.00029802
-0.00497326 -0.01397229 0.01248841
-6.14556994 3.37712246 -9.40671043
0.00015432 -0.00019920 -0.00014396
-0.04553035 -0.00789717 0.00419402
2.82916949 28.16990201 7.11090015
0.00065351 -0.00009482 -0.00038612
0.00311150 0.00912430 -0.02390695
0.85461994 28.39955600 9.25948810
0.00061455 0.00089167 -0.00025490
0.01577376 -0.00985716 -0.01082647
10.67634656 -7.47943092 -0.78672692
-0.00022961 0.00037934 -0.00016440
-0.01443486 0.01570008 -0.01241603
8.53881879 -7.14118397 -2.92237569
-0.00024835 -0.00005307 0.00026499
0.00760905 -0.00331950 0.01175204
-6.93023538 0.49846464 6.55201235
-0.00028240 -0.00067626 0.00095635
-0.02545673 -0.00150088 -0.00459081
-9.62831145 -0.36386571 7.03427946
0.00010617 0.00123715 0.00034231
-0.01575818 -0.01419938 0.01580276
21.68633648 10.31212193 9.96803677
-0.00033273 0.00078245 0.00081721
0.00448969 0.00075266 0.01135786
20.94129718 12.57501577 8.28855702
-0.00080821 0.00001740 0.00033981
-0.01452158 -0.02435854 0.00570865
-1.35141855 -3.48046759 -26.55426002
0.00107683 0.00030691 0.00030888
0.02225353 -0.03596557 0.02563400
-3.90158622 -2.10238392 -26.81218123
-0.00037506 0.00031506 0.00044039
-0.00016085 -0.00066443 0.00597580
-13.85687512 7.20054323 9.21356532
0.00019554 0.00036456 0.00006286
-0.00160177 0.00436049 0.00149135
-15.51536563 7.16183337 6.84012340
-0.00024923 0.00061273 0.00076509
0.00527464 0.00350241 0.00296429
-11.28664255 7.58322605 -2.87291221
-0.00026854 0.00082222 0.00104490
-0.00606514 0.00265260 -0.00805985
-8.43515045 8.22145255 -3.54419273
-0.00012294 -0.00035387 0.00044094
-0.00384446 0.01114586 -0.01616011
-0.92653080 -17.07585466 23.11321475
0.00034839 0.00056508 -0.00067817
-0.02026895 0.00751718 0.00424402
-3.71755244 -15.55876128 23.92173775
0.00046491 0.00031606 -0.00077746
0.06169307 -0.00721223 -0.01251868
-2.21926851 6.25313598 -8.03183239
-0.00016526 0.00054283 -0.00014658
-0.01882692 -0.00052918 0.01186126
-4.37297998 7.07801584 -6.00420947
-0.00127650 -0.00075349 0.00044625
0.01068636 0.00047319 -0.00571741
-21.31589108 29.92016711 3.09873432
0.00033460 -0.00046595 0.00039359
-0.00800990 0.00440437 -0.00444821
-21.13350675 31.17899807 5.71232004
0.00086598 -0.00086386 -0.00056195
0.00053206 0.00249695 -0.01237877
7.03687968 -0.30997094 5.99155756
-0.00029356 0.00073753 0.00019073
0.00159908 0.02509748 0.02062432
7.64651542 2.06169684 8.01882585
-0.00043003 0.00050769 -0.00053360
-0.00969303 -0.00572133 -0.01344530
7.13075642 12.74702745 -14.04248093
0.00008898 0.00023028 0.00093035
-0.00969171 -0.00705762 0.01835827
4.54920287 11.77677643 -14.79754542
0.00104988 -0.00011375 0.00051673
-0.04815983 0.00860670 -0.05008074
14.40860693 3.69361691 -2.96633791
-0.00029597 0.00000868 0.00067742
-0.00153417 0.00618368 0.00308530
14.97202259 1.12095329 -1.96171144
-0.00036741 -0.00000097 -0.00005594
-0.01086944 -0.03910714 0.00292015
-2.65335004 13.08282624 -0.45002703
0.00002525 -0.00068295 -0.00020579
0.00588748 -0.00576576 0.00842101
-5.46875044 12.96981050 0.58278066
-0.00067669 0.00038807 0.00001118
-0.00143823 -0.00450198 0.01095439
3.65307783 10.94601760 3.44478609
-0.00014601 0.00168516 -0.00086946
-0.01023684 -0.00885628 -0.00275122
6.45297692 11.75825367 2.95759515
-0.00037415 -0.00066669 -0.00028654
-0.02499360 0.00403837 0.00788918
25.21885882 -12.54060942 -8.28203294
0.00035986 0.00057209 -0.00032554
-0.00013243 -0.00021819 -0.01206008
26.54640410 -11.64856362 -10.92388143
-0.00030337 -0.00034327 0.00088059
0.01012526 0.00186548 -0.00782456
14.84421932 -3.69929245 -0.28738708
0.00103399 0.00071199 0.00121424
-0.00745791 0.00415534 0.00343247
17.09517721 -5.41370610 -0.59802214
-0.00052189 -0.00002654 0.00032893
0.00967936 -0.03500357 -0.00273828
12.39956595 8.02463280 11.87251213
-0.00003557 -0.00043099 -0.00080375
-0.00092499 -0.00838803 -0.02064578
13.47713037 9.73967325 9.83249404
0.00004731 0.00007841 0.00004736
-0.00055682 0.00544314 -0.01515521
-0.12085652 -14.69797573 17.21340477
-0.00009886 -0.00075339 0.00009255
0.00842335 0.01682530 0.00754181
1.49301082 -12.35216509 18.33571550
0.00028498 -0.00075840 0.00014296
-0.00524057 0.00637657 0.00602441
-3.90036766 -2.30549236 -13.36528993
-0.00041323 -0.00014048 0.00121416
0.00031645 -0.01211750 0.01231323
-3.33792077 -1.05707625 -15.94717220
-0.00038323 -0.00048754 0.00108539
0.00085081 0.00162350 0.01461180
14.56157161 -8.20360833 -10.54583725
0.00126011 0.00021201 0.00068562
-0.01055231 -0.00437184 0.00079868
16.28537803 -6.38647357 -9.42604091
-0.00028064 0.00048197 0.00080055
0.02987242 0.03203710 0.00499998
6.84649039 -6.02620654 8.79965186
-0.00096639 -0.00043288 -0.00077972
0.00547478 0.00977659 -0.00526233
9.55069185 -6.51991245 7.55295710
0.00085276 -0.00061434 0.00016668
0.01275408 0.01900260 -0.02027003
-21.79617887 2.01682310 20.98114622
-0.00057766 -0.00010533 -0.00012810
0.01280499 0.00002594 0.02492185
-22.14697560 1.24811164 23.89801000
-0.00063685 0.00102304 -0.00007939
-0.00873994 -0.01271848 -0.00146072
26.70687908 -2.95965534 -6.59202394
0.00015905 0.00015930 -0.00018426
0.00086893 -0.00216480 0.00402773
25.23363793 -1.48732756 -8.57159781
0.00017856 0.00005755 -0.00040545
0.00244116 -0.01566118 0.00194287
9.52115865 -15.72933963 -7.63453438
0.00068412 -0.00048713 0.00023869
0.00308352 0.00255756 -0.00538690
9.17718873 -12.95220668 -6.81899381
0.00060372 -0.00037450 0.00016207
0.00208096 0.00072237 -0.01002293
-6.00914477 -11.30168712 18.16358729
0.00016674 0.00000807 0.00088590
0.01223387 0.01638186 0.01232981
-7.16332753 -11.43592259 15.50717042
0.00038354 -0.00013503 -0.00033372
0.00138865 0.00153418 0.00376852
8.45776464 1.48748587 -29.30522838
-0.00005033 -0.00088651 -0.00015234
-0.00195045 -0.01364339 -0.00621231
6.18385458 3.39055062 -29.94328960
-0.00028659 -0.00051994 0.00048146
0.02078909 -0.02006320 -0.00401859
12.68223566 15.45449597 14.69195611
-0.00010536 -0.00051038 0.00046231
-0.00474685 -0.01236597 -0.01319460
11.16718335 15.81721640 17.04734452
0.00021859 -0.00003603 -0.00033608
0.00223770 0.01532573 0.05120930
29.26074931 4.80470275 -4.47471975
-0.00020693 -0.00008707 -0.00047870
0.00636367 0.00763822 0.00639383
26.92725994 6.40035622 -3.95651512
0.00035889 0.00017558 -0.00002426
0.01167264 0.00923620 0.01372318
-9.94143119 4.85464239 6.67208076
-0.00000628 0.00005993 -0.00024164
-0.00240709 0.01206416 0.00116304
-8.73474025 13.32546262 2.59542206
-0.00008725 0.00006454 -0.00000354
-0.00387792 -0.00181647 0.00127798
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09504753
0.30432776
405.50148659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4380551538 (a.u.)
total exchange computation time: 2.6985919476 s
-154.5147701991
-931.40334205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4370595300 (a.u.)
total exchange computation time: 2.6977839470 s
-154.5237344655
Anderson extrapolation: theta=1.3902526059 (1.3902526059)
-931.40356716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4355479079 (a.u.)
total exchange computation time: 2.6989159584 s
-154.5370767427
Anderson extrapolation: theta=0.0698710708 (0.0698710708)
-931.40371172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.4353476599 (a.u.)
total exchange computation time: 2.6973929405 s
-154.5386922444
Anderson extrapolation: theta=2.3694597020 (2.0000000000)
-931.40372058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4349236894 (a.u.)
total exchange computation time: 2.6992101669 s
-154.5420142385
Anderson extrapolation: theta=0.4513597535 (0.4513597535)
-931.40373284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4347421999 (a.u.)
total exchange computation time: 2.6986598969 s
-154.5433444972
Anderson extrapolation: theta=0.9768964209 (0.9768964209)
-931.40373675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4345997564 (a.u.)
total exchange computation time: 2.6981110573 s
-154.5442937381
Anderson extrapolation: theta=0.5787895158 (0.5787895158)
-931.40373960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4345555216 (a.u.)
total exchange computation time: 2.6986660957 s
-154.5444901246
Anderson extrapolation: theta=0.7327641197 (0.7327641197)
-931.40374085
-116.507688 67.532866 141.934735
559.565489 1031.469726 -410.766137
443.057801 1099.002592 -268.831402
1215.062647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.4345537169 (a.u.)
total exchange computation time: 2.6986551285 s
679.95794733
-1085.73544302
89.69485713
-387.85029013
-175.03625910
79.39143377
551.60419304
0.00000000
-931.40374151
4.01000077 -30.99582747 -2.25347243
0.00019653 -0.00054247 0.00012044
0.00940426 -0.00845856 0.00182457
-11.50487576 -1.71848919 -9.26919968
0.00015142 0.00041188 -0.00003713
0.00968906 0.01772574 0.01657200
-37.49162933 2.44618655 0.16721945
-0.00001419 -0.00014965 0.00021726
-0.01239043 -0.02425139 0.01836538
-11.71165374 -4.16541312 3.89915566
-0.00003958 -0.00008390 0.00017177
-0.02749975 0.01524100 0.01097847
4.21540012 -3.97481647 9.14059493
-0.00021474 -0.00009729 -0.00032801
-0.00967070 -0.03861987 0.00973398
-32.23878780 -0.38477747 -0.31903106
-0.00052879 0.00030324 0.00039137
0.00023354 -0.03712729 -0.01777463
14.43962776 12.55055843 -13.72561800
-0.00041592 -0.00012853 0.00017606
-0.01588656 0.00696606 -0.05495422
-7.71602097 6.05782530 2.62541484
-0.00003552 0.00012843 0.00034017
-0.00543672 0.00000468 -0.01375208
7.50917400 12.46885385 -5.92180384
-0.00036269 -0.00039327 -0.00023207
0.00765058 -0.00333371 0.01879008
8.82921580 9.91151042 -18.96307066
-0.00007191 0.00007829 -0.00003619
-0.00081605 -0.00028016 -0.00239126
23.25676908 17.33201220 -2.21443206
-0.00030300 -0.00003401 -0.00009712
0.00529826 -0.02301507 -0.00225889
2.15251188 16.83122331 -19.59313998
-0.00023942 -0.00000203 -0.00006376
-0.00602416 0.00766078 -0.03376688
14.02436748 -1.11841929 -5.69414029
-0.00007346 0.00028059 -0.00025694
-0.01609729 0.00257475 -0.00625464
-16.06917941 -1.40071905 3.21797497
-0.00003232 0.00014299 0.00008655
0.04085061 0.02118946 0.01911313
-16.52016478 -2.00891163 18.91746170
0.00057501 -0.00025679 -0.00026323
-0.02491842 0.01208988 -0.01012216
0.41745731 2.03141967 -4.88525995
0.00011724 -0.00000813 0.00021334
0.00735397 0.02744728 0.00442866
22.66601737 -7.12140005 -8.83805232
0.00020519 0.00009033 0.00007444
0.00158387 0.00566514 -0.00050743
-0.72004701 -6.32545061 7.24819689
-0.00022211 0.00009126 0.00005276
0.00648312 -0.00864342 -0.00282093
-1.74979416 -1.36645732 -19.34136726
0.00009923 0.00011737 0.00009631
0.02210636 -0.03062783 0.01059423
3.22028998 1.87413658 -9.31340808
-0.00007434 -0.00031959 -0.00003415
-0.01418370 0.00820123 0.03615725
-3.83938295 17.75536526 12.30746015
0.00019175 -0.00026314 -0.00007410
-0.01354388 0.04169145 0.00534223
-3.84351228 5.00219225 -11.07839682
-0.00000016 0.00011264 -0.00016069
-0.01480483 0.00253156 -0.03032432
-7.97602780 2.87161473 -8.96695235
0.00008805 -0.00023776 0.00002667
0.04796605 0.02219804 -0.01372473
2.34717746 27.45765349 8.66889996
0.00020121 0.00003184 0.00033059
-0.02472400 -0.00186839 0.03048465
9.70578722 -6.23104676 -1.82022885
-0.00026764 -0.00010033 0.00013275
0.00483207 -0.00874457 0.00477851
-8.74781882 0.80410264 6.01981111
0.00000726 0.00005290 0.00004201
0.04403214 0.00884173 -0.00892232
20.35793482 10.82089592 8.84160530
0.00011665 0.00013802 -0.00019820
0.00979614 0.02570194 -0.01708044
-2.15141050 -2.14113754 -27.35431344
0.00040657 -0.00001510 -0.00037703
-0.03382422 0.03199993 -0.02717251
-14.31799927 6.16723164 7.79179496
0.00011469 -0.00011370 0.00028738
0.00449797 -0.00778910 -0.00382027
-9.55688480 7.30404095 -2.44718535
0.00005614 -0.00003061 0.00031395
-0.01542039 -0.02637159 0.03665765
-1.79120531 -15.43215775 23.48379557
-0.00009141 0.00034667 -0.00033442
-0.03516338 -0.00251480 0.00933655
-2.69196156 6.32639572 -6.23318866
0.00002785 -0.00000088 0.00019273
0.00203854 -0.00149947 -0.00588847
-20.13231072 30.80961070 4.19838962
-0.00043985 -0.00069195 -0.00010794
0.00057293 -0.00892503 0.02088326
7.63267752 0.25092348 7.71300448
0.00011983 0.00019238 -0.00035440
0.00475804 -0.00872341 0.00130371
5.71755606 11.54669024 -13.56638014
0.00002941 -0.00004504 0.00025369
0.05575415 -0.02171282 0.04018699
15.52301007 2.77038342 -1.85388843
0.00001547 -0.00011887 0.00021067
0.02267193 0.04772621 0.00362286
-4.39067084 13.36063904 -0.82873409
-0.00010782 -0.00035693 0.00022593
0.00017703 0.00542954 -0.02652811
4.65639799 12.41136549 2.95913711
0.00016922 -0.00005312 -0.00044520
0.03475554 0.02643558 -0.01462807
25.05650992 -11.59004677 -9.86784764
0.00019812 0.00020122 -0.00030784
-0.02423277 -0.00691868 0.03203266
16.62147929 -3.69899334 -0.60781087
0.00025004 0.00025937 -0.00026371
0.00724970 0.03436297 -0.00200545
13.07972746 7.97470672 10.10956575
0.00027334 0.00004021 0.00031907
0.00526696 -0.00830924 0.02170987
1.58799583 -14.00803182 17.63209976
0.00005531 -0.00001664 -0.00007457
0.00469729 -0.02291015 -0.01630283
-3.99777478 -0.72398535 -14.22940193
0.00057318 0.00002588 -0.00006083
-0.00256403 0.01313876 -0.02010392
15.08498394 -7.61160025 -8.88844423
-0.00018059 0.00027871 -0.00002466
-0.02707192 -0.03664347 0.00662896
8.42625036 -6.99966360 8.84138186
-0.00017996 -0.00020438 0.00023723
-0.00318597 -0.00568870 0.01666526
-21.16929832 2.28327706 22.76172341
0.00020469 0.00000890 0.00017420
0.00059842 0.01579456 -0.03314183
25.68736217 -3.26116954 -8.08133848
-0.00004468 0.00006486 -0.00024161
0.00437880 0.03013952 -0.00214006
9.86910597 -13.99363747 -8.18536093
0.00009074 0.00030536 -0.00047748
-0.00687784 -0.01155418 0.01570577
-6.71561168 -12.44891572 16.97227137
-0.00016569 -0.00003274 0.00000226
0.00894555 0.00338259 -0.02032004
7.95464999 3.21118169 -29.35023243
-0.00048633 -0.00025810 0.00003652
-0.01481069 0.02151692 0.00076932
10.90396354 15.41793172 15.37086006
0.00031485 0.00025548 0.00003587
0.00660213 0.00989431 -0.04615021
28.68438382 6.17093895 -3.33529288
0.00009156 0.00024253 -0.00024580
-0.01486171 -0.00909038 -0.01502610
5.44361971 -31.41283144 -3.39726348
-0.00036149 -0.00061287 -0.00042518
-0.01058765 0.00003684 0.01049407
4.44822609 -31.37272801 -0.46632636
0.00055948 0.00069816 0.00005218
-0.00311588 -0.00202808 -0.01149543
-11.77191720 -3.42070345 -8.78244284
-0.00063874 0.00038528 -0.00059217
-0.00669508 -0.02325214 0.00051570
-12.50413023 -1.31922793 -10.68806896
0.00008106 0.00060991 -0.00033092
-0.01416207 0.00238686 -0.01989358
-39.07322565 1.96007095 1.02688824
-0.00017136 -0.00012238 0.00063903
0.01757572 0.00894652 -0.00643977
-37.93271915 3.83392839 -0.89047141
-0.00018819 0.00044644 -0.00054842
-0.00420002 0.02029295 -0.01347871
-10.59598229 -5.51059489 3.52308242
0.00002625 -0.00076415 -0.00053230
0.01619990 -0.02848810 -0.00855636
-10.71288100 -2.70128479 3.66488575
-0.00033587 0.00045626 0.00024378
0.01445078 0.01819493 0.00137204
4.71685478 -2.46978909 8.39603746
-0.00090244 0.00027957 0.00010135
0.01344581 0.03851926 -0.02269903
4.39256462 -3.60943804 10.92098588
-0.00125374 -0.00023975 -0.00034886
-0.00221855 -0.00395724 0.01040347
-33.59132141 -1.61587414 -0.42506113
-0.00082459 0.00061008 0.00102392
-0.00005104 0.00703597 0.00257153
-32.71466137 0.82346267 0.89288942
-0.00031644 -0.00002460 -0.00053198
-0.01117389 0.01952395 0.01431855
14.22694161 12.63631731 -15.71658429
-0.00121818 0.00020678 0.00093337
0.00268736 0.00055942 0.05316716
16.18781444 12.20111956 -13.50608618
0.00095392 0.00057625 0.00011676
0.02269749 -0.00365652 -0.00158816
-8.69543280 7.27816248 1.63331317
0.00016625 0.00053315 -0.00016707
0.00763617 -0.00327231 0.00572570
-7.41959167 4.79481481 1.29405191
0.00024319 -0.00029079 -0.00135667
0.00104933 -0.00054285 0.00528874
6.10716073 12.32863732 -7.01847673
0.00009129 0.00014936 -0.00044763
-0.01233037 0.00042772 -0.01782588
8.84070997 13.62697814 -6.68246564
0.00054852 0.00013209 -0.00011773
-0.00432896 -0.00613980 -0.00087077
8.49787082 8.83293173 -20.36641138
-0.00016429 -0.00073355 0.00005522
-0.00594903 -0.01609421 -0.00777276
9.95388493 11.12459369 -19.72288210
0.00074567 0.00010179 0.00002693
0.01878005 0.00764735 0.00629331
23.86325896 15.57930746 -2.65887197
0.00065695 0.00091691 -0.00017969
-0.00170629 0.01913933 0.00282264
24.83845020 18.26631209 -2.30429118
-0.00046380 0.00037958 -0.00061183
-0.00080190 0.00732903 -0.01018529
1.72560495 16.84566243 -21.52513962
0.00068678 0.00013765 -0.00033900
0.00089550 0.00125332 0.04011233
3.43643252 15.51264591 -19.42058541
0.00108377 0.00017936 -0.00092444
-0.00409854 -0.00462152 0.00531911
12.43761972 -0.83811554 -6.64737646
-0.00005153 -0.00126070 -0.00060969
0.01918858 -0.00736073 -0.01093138
13.35990830 -0.98184820 -4.03335908
0.00020442 0.00051093 0.00004882
-0.00009470 -0.00286152 0.02079854
-17.47242847 -2.22249784 2.56378139
0.00008315 0.00105156 -0.00015633
-0.03308784 -0.03125014 -0.00725617
-14.60056711 -2.52436420 3.29086251
-0.00024512 -0.00054011 -0.00132992
-0.01092236 -0.00805612 -0.00661080
-16.61854121 -0.68272164 20.16825591
-0.00060148 -0.00074364 -0.00048002
0.00482121 0.01292685 0.00076548
-15.41012835 -3.18554114 19.61754468
0.00025597 0.00019548 0.00049177
0.02633979 -0.02412502 0.01390527
-0.49656939 0.40852682 -4.91635627
0.00067105 0.00037741 0.00033996
-0.01249822 0.00495835 -0.00538107
-0.73285706 3.50946489 -4.96605530
-0.00067819 -0.00012119 0.00010615
0.00043061 -0.02407115 -0.00019363
23.50647896 -8.71366884 -9.10378064
-0.00019774 -0.00092263 -0.00010143
-0.00051768 -0.01353052 -0.00565307
24.07936380 -5.94761283 -8.70543465
0.00016847 0.00075313 0.00045100
-0.00818176 0.00691507 0.00510461
0.23935283 -6.17848461 5.65891956
-0.00001488 -0.00039609 0.00001401
-0.00390476 0.00067319 0.01218472
0.49198311 -6.06253299 8.60937297
0.00105761 -0.00127245 -0.00055653
-0.00048323 0.00586821 -0.00858918
-0.55071405 -2.86482620 -19.16102135
0.00023475 0.00012016 -0.00110297
-0.02426055 0.03082521 -0.00432263
-2.98924220 -1.87929813 -20.59302820
-0.00027036 -0.00070364 -0.00030242
-0.00373630 -0.00479701 -0.00175345
2.59387219 2.67820050 -10.81649708
0.00034648 0.00096693 0.00106852
0.00083349 0.00528502 -0.00960984
2.12441299 2.46538930 -7.84229012
-0.00013116 -0.00135130 0.00011250
0.01215135 -0.01675938 -0.02040460
-2.34323450 16.81394008 12.39780355
-0.00022776 0.00045628 -0.00018177
0.03687668 -0.03184525 -0.00466342
-3.51105172 18.84761621 13.77630210
-0.00038510 -0.00065777 0.00117386
-0.00893159 0.00001604 -0.00730410
-5.19057400 6.36507597 -11.32917368
-0.00024716 -0.00114423 0.00104841
0.02308086 -0.03448085 -0.00843841
-3.89043725 3.64966534 -12.44768386
-0.00114495 0.00054626 0.00067694
-0.00323002 0.03405219 0.02625172
-7.63765767 2.05632746 -7.39015615
0.00042872 -0.00063298 0.00034201
-0.00574609 -0.01233722 0.00904660
-6.14465037 3.37389243 -9.40874125
-0.00003214 -0.00023187 -0.00012609
-0.04574055 -0.00809525 0.00454929
2.83906745 28.16875927 7.10437569
0.00066274 -0.00006339 -0.00047208
0.00140745 0.00626227 -0.01816724
0.86432154 28.41262899 9.25533280
0.00067731 0.00085172 -0.00029808
0.01494915 -0.00969967 -0.01030907
10.67246011 -7.47325979 -0.78957343
-0.00028567 0.00043921 -0.00021177
-0.01300814 0.01360937 -0.01077118
8.53532676 -7.14208176 -2.91804074
-0.00021839 -0.00006760 0.00031183
0.00705399 -0.00379371 0.01117622
-6.93525150 0.48827468 6.56621685
-0.00038502 -0.00068057 0.00093575
-0.02477499 -0.00060422 -0.00548879
-9.62720172 -0.34574365 7.03989838
0.00003420 0.00117191 0.00041307
-0.01947348 -0.01773527 0.01883146
21.68148313 10.32388169 9.98064297
-0.00031614 0.00078626 0.00086159
0.00362976 0.00111193 0.01036527
20.92872907 12.57453030 8.29382914
-0.00086477 -0.00007728 0.00036100
-0.01316389 -0.02198607 0.00466317
-1.33458420 -3.47696600 -26.54884124
0.00116275 0.00016647 0.00041028
0.01980611 -0.03278419 0.02399936
-3.90721702 -2.09767831 -26.80539233
-0.00036055 0.00031106 0.00046075
0.00726447 -0.00129355 0.00399370
-13.85399108 7.20614532 9.21455386
0.00018945 0.00038048 0.00006842
-0.00137902 0.00342999 0.00123075
-15.51894249 7.17113172 6.85169059
-0.00022403 0.00062306 0.00077913
0.00706474 0.00155219 0.00390585
-11.29085648 7.59564060 -2.85748565
-0.00028844 0.00083228 0.00101296
-0.00367593 0.00227281 -0.00757724
-8.43711238 8.21648602 -3.53807379
-0.00013580 -0.00030537 0.00037168
-0.00244881 0.01259389 -0.01774314
-0.92192605 -17.06714809 23.10317222
0.00026470 0.00059646 -0.00066039
-0.02069608 0.00784113 0.00446012
-3.70868831 -15.55424132 23.90969231
0.00071072 0.00028577 -0.00082690
0.05863166 -0.00761457 -0.01168237
-2.22232425 6.26126219 -8.03366761
-0.00024261 0.00054029 -0.00009508
-0.01904086 -0.00071524 0.01334731
-4.39179998 7.06672805 -5.99769087
-0.00122163 -0.00075542 0.00042160
0.01616984 -0.00141975 -0.00635047
-21.31111755 29.91331276 3.10450184
0.00029455 -0.00045336 0.00036924
-0.01159226 0.00175932 -0.00746849
-21.12050081 31.16611672 5.70351143
0.00085887 -0.00085080 -0.00059979
-0.00401152 0.00389376 -0.00614151
7.03252527 -0.29813898 5.99505049
-0.00028807 0.00083653 0.00026935
0.00109069 0.02336600 0.01785842
7.63976787 2.06913693 8.01040991
-0.00046925 0.00048049 -0.00058805
-0.00950314 -0.00759455 -0.01321269
7.13179409 12.75026542 -14.02796320
0.00005004 0.00020121 0.00100482
-0.00936884 -0.00717239 0.01809627
4.56347534 11.77533387 -14.79132908
0.00084060 -0.00007644 0.00029846
-0.05428724 0.00965641 -0.05676484
14.40412041 3.69393657 -2.95608205
-0.00030246 0.00003465 0.00068948
-0.00164300 0.00653076 0.00281707
14.96617842 1.11974042 -1.96246103
-0.00041117 -0.00015908 -0.00004330
-0.01055410 -0.03828878 0.00326773
-2.65279084 13.07240528 -0.45285579
0.00004692 -0.00070646 -0.00017068
0.00471902 -0.00573953 0.00876270
-5.47894491 12.97549366 0.58328401
-0.00068111 0.00036914 0.00005638
-0.00072384 -0.00476869 0.01117256
3.65057397 10.97102362 3.43165991
-0.00019723 0.00163479 -0.00087590
-0.01483299 -0.01580184 -0.00040057
6.44659873 11.74837708 2.95353876
-0.00047165 -0.00065150 -0.00025433
-0.02273163 0.00339689 0.00787680
25.22425268 -12.53203483 -8.28728565
0.00035845 0.00056970 -0.00037180
-0.00055725 -0.00095153 -0.01058528
26.54216381 -11.65365549 -10.91091237
-0.00024994 -0.00033569 0.00083899
0.01603185 0.00184262 -0.01253994
14.85950066 -3.68848525 -0.26906831
0.00099462 0.00073005 0.00123001
-0.01181299 0.00468279 0.00428496
17.08764542 -5.41517675 -0.59317216
-0.00048200 -0.00016724 0.00031756
0.00984859 -0.03387347 -0.00282736
12.39900408 8.01791099 11.85982328
-0.00004269 -0.00046401 -0.00087717
-0.00255890 -0.00777975 -0.01529327
13.47782288 9.74101626 9.83273996
0.00004503 0.00010018 -0.00001387
-0.00055882 0.00521092 -0.01481322
-0.12208131 -14.70876105 17.21502415
-0.00006114 -0.00068183 0.00012450
0.01004208 0.01820535 0.00809625
1.49712495 -12.36334574 18.33804446
0.00026270 -0.00072189 0.00017231
-0.00566738 0.01149465 0.00834562
-3.90655634 -2.30797089 -13.34670022
-0.00041207 -0.00017931 0.00125804
0.00024693 -0.00688731 0.00916538
-3.34364308 -1.06433966 -15.93044358
-0.00037310 -0.00048441 0.00112939
0.00410759 -0.00008920 0.00692466
14.58014996 -8.20056208 -10.53552855
0.00121204 0.00018916 0.00067532
-0.01297901 -0.00681728 -0.00583869
16.28208375 -6.37826225 -9.41387951
-0.00015714 0.00061380 0.00082035
0.03058127 0.03249157 0.00469240
6.83216236 -6.03240015 8.78779473
-0.00093737 -0.00039507 -0.00080112
0.00872885 0.00873009 -0.00521225
9.56387405 -6.52854524 7.55483619
0.00089656 -0.00053968 0.00009236
0.00868685 0.01754274 -0.01610947
-21.80445141 2.01524399 20.97998845
-0.00052239 -0.00010368 -0.00002119
0.01424833 0.00078104 0.02740819
-22.15679623 1.26306751 23.89677443
-0.00067433 0.00096858 -0.00008172
-0.00960629 -0.01394127 0.00031867
26.70929146 -2.95733219 -6.59466438
0.00016117 0.00014971 -0.00017012
0.00017033 -0.00252911 0.00289164
25.23639115 -1.48694420 -8.57762009
0.00018810 -0.00000588 -0.00039779
0.00222599 -0.01538920 0.00180875
9.53151487 -15.73656825 -7.63111914
0.00069856 -0.00046582 0.00021243
0.00398896 0.00787283 -0.00746454
9.18630826 -12.95780206 -6.81686985
0.00061129 -0.00036993 0.00012190
0.00162323 0.00151541 -0.00964408
-6.00626885 -11.30106414 18.17725358
0.00021143 0.00006720 0.00092667
0.00964314 0.01256449 0.00762660
-7.15753186 -11.43790103 15.50228014
0.00038983 -0.00012870 -0.00031655
0.00169093 0.00156391 0.00463280
8.45694989 1.47377018 -29.30770383
-0.00006157 -0.00093004 -0.00017785
-0.00355075 -0.00766694 -0.00627509
6.18019278 3.38213673 -29.93619089
-0.00020636 -0.00060115 0.00046309
0.01848358 -0.01968877 -0.00497411
12.68050975 15.44646140 14.69848644
-0.00011964 -0.00056041 0.00040537
-0.00224119 -0.01212686 -0.01467594
11.17053072 15.81714562 17.04387258
0.00022821 0.00002824 -0.00011975
0.00247417 0.01613413 0.05468308
29.25784033 4.80363071 -4.48170426
-0.00018125 -0.00005351 -0.00045046
0.00620545 0.00879357 0.00742877
26.93300103 6.40327300 -3.95645843
0.00040190 0.00021436 0.00003039
0.00938053 0.00974658 0.01302451
-9.94153188 4.85557370 6.66845922
-0.00000713 0.00006427 -0.00024124
-0.00233773 0.01216772 0.00110797
-8.73605573 13.32642759 2.59537112
-0.00008819 0.00006416 -0.00000325
-0.00421803 -0.00145609 0.00124488
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09587954
0.30786198
410.21065140
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4363418563 (a.u.)
total exchange computation time: 2.6862699986 s
-154.5242720609
-931.40753048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4354358740 (a.u.)
total exchange computation time: 2.6849069595 s
-154.5327101756
Anderson extrapolation: theta=1.3779121704 (1.3779121704)
-931.40775411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4341148591 (a.u.)
total exchange computation time: 2.6834199429 s
-154.5449446905
Anderson extrapolation: theta=0.0653284160 (0.0653284160)
-931.40789422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4339800631 (a.u.)
total exchange computation time: 2.6837589741 s
-154.5461968142
Anderson extrapolation: theta=2.2576739544 (2.0000000000)
-931.40790163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4337151051 (a.u.)
total exchange computation time: 2.6839799881 s
-154.5486417877
Anderson extrapolation: theta=0.3824401322 (0.3824401322)
-931.40791100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4336387798 (a.u.)
total exchange computation time: 2.6846868992 s
-154.5493337985
Anderson extrapolation: theta=1.1196334101 (1.1196334101)
-931.40791341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4335933633 (a.u.)
total exchange computation time: 2.6839900017 s
-154.5497341109
Anderson extrapolation: theta=0.4765651167 (0.4765651167)
-931.40791517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4336089693 (a.u.)
total exchange computation time: 2.6845619678 s
-154.5495826179
Anderson extrapolation: theta=0.8210590753 (0.8210590753)
-931.40791571
-116.479870 67.577488 141.971827
559.569339 1031.467885 -410.736172
443.089470 1099.045372 -268.764345
1215.098055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4336480990 (a.u.)
total exchange computation time: 2.6868031025 s
679.93154889
-1085.68723964
89.70008193
-387.88544305
-175.03321595
79.36476816
551.60419304
0.00000000
-931.40791591
4.01298503 -31.00399709 -2.25165876
0.00020093 -0.00054653 0.00012106
0.00771301 -0.00733161 0.00056039
-11.50256703 -1.71224258 -9.26969271
0.00015582 0.00042093 -0.00002930
0.00738931 0.01747207 0.01385964
-37.49188997 2.44384825 0.17054925
-0.00002133 -0.00016061 0.00022570
-0.01539514 -0.01838183 0.01443868
-11.71235349 -4.16661290 3.90177461
-0.00005255 -0.00007677 0.00017699
-0.02293016 0.01249923 0.00932225
4.21214164 -3.97642480 9.13571232
-0.00021964 -0.00011712 -0.00032333
-0.00936510 -0.03848518 0.00847837
-32.24671878 -0.38037204 -0.31322901
-0.00052817 0.00028278 0.00038096
0.00217377 -0.04246603 -0.02274085
14.43332763 12.54865734 -13.72318913
-0.00042164 -0.00012540 0.00014894
-0.00635481 0.00520005 -0.05048229
-7.71657481 6.05975180 2.63046436
-0.00003829 0.00012724 0.00033080
-0.00529783 -0.00465543 -0.02269319
7.50376318 12.46294191 -5.92521246
-0.00035749 -0.00039416 -0.00022251
0.01254637 -0.00012923 0.01840718
8.82813398 9.91268374 -18.96362267
-0.00007199 0.00007818 -0.00003842
0.00052617 -0.00017587 -0.00628487
23.25224451 17.33141328 -2.21589753
-0.00029997 -0.00004496 -0.00009825
0.00647062 -0.01956891 -0.00215528
2.14889728 16.83122244 -19.59422669
-0.00024137 0.00000089 -0.00008127
-0.00152546 0.00367651 -0.03432021
14.02320346 -1.11420049 -5.69801853
-0.00008158 0.00028182 -0.00025958
-0.01548136 0.00219964 -0.00399539
-16.06950666 -1.39849246 3.21934701
-0.00001047 0.00015379 0.00009658
0.04412561 0.02082505 0.01986085
-16.51163573 -2.01271688 18.91347426
0.00056208 -0.00025099 -0.00026906
-0.02538293 0.01047810 -0.01257319
0.41924429 2.03140359 -4.88204269
0.00012103 0.00000720 0.00021563
0.00738686 0.03216992 0.00447111
22.66910127 -7.12002325 -8.83693769
0.00020686 0.00009244 0.00007405
0.00490647 0.00254556 -0.00099786
-0.72335366 -6.32411500 7.24897735
-0.00021819 0.00008689 0.00005142
0.00874729 -0.00836420 -0.00237414
-1.74822041 -1.36481492 -19.33988181
0.00010951 0.00010114 0.00010048
0.01787557 -0.03247518 0.00563447
3.21912021 1.86937437 -9.31378090
-0.00008122 -0.00031595 -0.00001499
-0.01259975 0.00596436 0.03838019
-3.83655895 17.75157897 12.30636920
0.00018350 -0.00024028 -0.00007050
-0.01855432 0.04721282 0.00867405
-3.84357179 5.00389165 -11.08092420
-0.00000713 0.00011394 -0.00017517
-0.01230500 0.00253263 -0.02595361
-7.97452207 2.86813393 -8.96660519
0.00011272 -0.00022685 0.00002056
0.04797656 0.02021605 -0.01006083
2.35010019 27.45812396 8.67397643
0.00018931 0.00003156 0.00034446
-0.02154203 0.00074425 0.02344176
9.70179130 -6.23258545 -1.81821912
-0.00026546 -0.00010404 0.00013483
0.00361623 -0.00568541 0.00328705
-8.74754009 0.80493024 6.02040680
0.00003043 0.00005789 0.00003702
0.04608514 0.01055011 -0.01046711
20.35972239 10.82306541 8.83856637
0.00012158 0.00015030 -0.00020635
0.00938190 0.02203621 -0.01459879
-2.14544241 -2.14124062 -27.36007367
0.00038825 0.00000024 -0.00038988
-0.03741242 0.02766142 -0.02280003
-14.31626159 6.16549604 7.79609095
0.00011652 -0.00011695 0.00028530
0.00261647 -0.00482650 -0.00428221
-9.55610221 7.30348005 -2.44233467
0.00004728 -0.00004433 0.00033290
-0.01901008 -0.02695655 0.03703896
-1.79271217 -15.42696740 23.47881530
-0.00010837 0.00034540 -0.00032999
-0.03077107 -0.00241847 0.00788635
-2.69153593 6.32637671 -6.23032045
0.00002765 -0.00000122 0.00018958
-0.00281229 0.00019599 -0.00635748
-20.13890622 30.79919706 4.19685109
-0.00043723 -0.00069604 -0.00009817
0.00959889 -0.00698371 0.01711112
7.63449328 0.25377547 7.70769346
0.00012248 0.00018881 -0.00035290
0.00555749 -0.00513539 0.00452326
5.71821230 11.54593093 -13.56241978
0.00005880 -0.00005645 0.00027529
0.05854567 -0.02268033 0.04381454
15.52332952 2.76878449 -1.85071447
0.00002688 -0.00009503 0.00021249
0.02173074 0.04495717 0.00348994
-4.39228746 13.35530608 -0.82544749
-0.00010762 -0.00035411 0.00021225
0.00060082 0.00552046 -0.02664751
4.65907042 12.41067064 2.95240271
0.00018762 -0.00003769 -0.00045319
0.03676798 0.03357246 -0.01643110
25.05938828 -11.58705510 -9.87234168
0.00018418 0.00019783 -0.00029058
-0.02997128 -0.00628969 0.03510445
16.62525788 -3.69497020 -0.61177432
0.00025480 0.00027622 -0.00026495
0.01127097 0.03115692 -0.00281108
13.08384793 7.97527788 10.11443556
0.00027662 0.00003590 0.00032854
0.00745917 -0.00848066 0.01511542
1.58884359 -14.00836980 17.63091827
0.00005751 -0.00002976 -0.00008356
0.00387623 -0.02810205 -0.01865528
-3.98918698 -0.72354648 -14.23039196
0.00057090 0.00003170 -0.00006802
-0.00631978 0.00950288 -0.00783762
15.08217071 -7.60756097 -8.88878858
-0.00019375 0.00026059 -0.00001958
-0.02411653 -0.03380990 0.01312697
8.42353864 -7.00275131 8.84500464
-0.00018129 -0.00020642 0.00024463
-0.00196742 -0.00221537 0.01211113
-21.16622573 2.28347146 22.76420854
0.00020485 0.00001705 0.00015637
0.00002694 0.01590563 -0.03616931
25.68670891 -3.26008040 -8.08497084
-0.00004216 0.00008027 -0.00024234
0.00539626 0.02980777 -0.00071386
9.87044047 -13.98910170 -8.19246250
0.00008704 0.00029790 -0.00046902
-0.00748783 -0.01744931 0.01719662
-6.71806247 -12.44939382 16.97222687
-0.00016046 -0.00003005 -0.00000706
0.01136516 0.00707326 -0.01592856
7.94729784 3.20739318 -29.34968171
-0.00049276 -0.00024869 0.00003721
-0.01019513 0.01505785 0.00193359
10.90871182 15.42180207 15.37122016
0.00031726 0.00026033 0.00001234
0.00277089 0.00895658 -0.04537538
28.68569985 6.17454187 -3.33903777
0.00008467 0.00023743 -0.00025347
-0.01190513 -0.01074492 -0.01481398
5.43787294 -31.42202341 -3.40331954
-0.00040274 -0.00061306 -0.00038234
-0.00960418 -0.00012756 0.01047536
4.45652280 -31.36231782 -0.46589593
0.00054777 0.00068821 0.00000708
-0.00261489 -0.00284007 -0.01058192
-11.78170340 -3.41563677 -8.79130957
-0.00066558 0.00029086 -0.00058989
-0.00644657 -0.02296761 0.00059781
-12.50334826 -1.31000608 -10.69364236
0.00002715 0.00061919 -0.00040714
-0.01222709 0.00215381 -0.01741834
-39.07525742 1.95850935 1.03627641
-0.00009661 -0.00008441 0.00061022
0.01901125 0.00964095 -0.00766508
-37.93567073 3.84124675 -0.89911076
-0.00020190 0.00051665 -0.00059363
-0.00250850 0.01407554 -0.00864902
-10.59509216 -5.52293011 3.51483580
0.00008526 -0.00086922 -0.00056486
0.01268509 -0.02294517 -0.00738287
-10.71747630 -2.69388338 3.66858451
-0.00027904 0.00052487 0.00025018
0.01337111 0.01539296 0.00176160
4.70373021 -2.46441527 8.39686222
-0.00084803 0.00043594 0.00000908
0.01318625 0.03802565 -0.02247217
4.37369048 -3.61315560 10.91607177
-0.00126208 -0.00025590 -0.00030478
-0.00186274 -0.00394892 0.01117556
-33.60369178 -1.60650726 -0.40962355
-0.00082445 0.00063789 0.00103329
0.00011641 0.00657504 0.00201587
-32.71975032 0.82369191 0.88534846
-0.00036567 0.00006733 -0.00046242
-0.01292739 0.02547892 0.01973419
14.20875130 12.63943614 -15.70095457
-0.00120550 0.00020849 0.00114525
0.00351616 0.00027532 0.05054848
16.20281870 12.20965120 -13.50438341
0.00102593 0.00056508 0.00010655
0.01255443 -0.00180688 -0.00341287
-8.69270507 7.28605939 1.63098257
0.00020010 0.00051604 -0.00014023
0.00893419 -0.00510164 0.00741326
-7.41591163 4.79043626 1.27386398
0.00024441 -0.00028014 -0.00132025
-0.00045116 0.00575904 0.01253798
6.10815229 12.33089087 -7.02573743
0.00003809 0.00015099 -0.00052298
-0.01371351 0.00036975 -0.01905965
8.84880510 13.62877142 -6.68425822
0.00052534 0.00010235 -0.00011787
-0.00701493 -0.00842239 0.00080070
8.49522420 8.82143537 -20.36582119
-0.00018614 -0.00079340 0.00002938
-0.00474681 -0.01320524 -0.00487661
9.96564550 11.12635492 -19.72228528
0.00081676 0.00012693 0.00005482
0.01601573 0.00465939 0.00735584
23.87306093 15.59364762 -2.66148086
0.00064989 0.00098702 -0.00016979
-0.00174781 0.01517996 0.00202500
24.83146869 18.27223040 -2.31378067
-0.00046865 0.00040983 -0.00065271
-0.00157429 0.00747556 -0.00982929
1.73593406 16.84776562 -21.52899550
0.00068854 0.00014318 -0.00017404
-0.00003484 0.00145139 0.04063954
3.45256354 15.51519476 -19.43428896
0.00105965 0.00016756 -0.00090190
-0.00771150 -0.00115634 0.00571159
12.43743481 -0.85725160 -6.65685675
0.00002549 -0.00128946 -0.00065363
0.01851363 -0.00671924 -0.01057895
13.36297176 -0.97427187 -4.03198949
0.00020431 0.00049899 0.00012886
0.00004095 -0.00298578 0.01838106
-17.47219512 -2.20768200 2.56121411
-0.00005784 0.00092213 -0.00018884
-0.03593018 -0.03210740 -0.00865682
-14.60457864 -2.53271265 3.27071110
-0.00029108 -0.00057032 -0.00135515
-0.01157227 -0.00673316 -0.00573860
-16.62741568 -0.69348013 20.16107899
-0.00058256 -0.00068557 -0.00047274
0.00444039 0.01549838 0.00280126
-15.40548160 -3.18334827 19.62534735
0.00036495 0.00009505 0.00054937
0.02700434 -0.02503229 0.01429123
-0.48688661 0.41433992 -4.91142183
0.00061637 0.00039080 0.00031754
-0.01426776 0.00159459 -0.00559275
-0.74301667 3.50690948 -4.96446905
-0.00067291 -0.00022234 0.00010514
0.00215164 -0.02544195 -0.00030067
23.50349695 -8.72792283 -9.10547528
-0.00020293 -0.00096531 -0.00012259
-0.00201983 -0.00736631 -0.00470809
24.08164018 -5.93610399 -8.69851322
0.00013164 0.00077520 0.00047093
-0.00985081 0.00388685 0.00464887
0.23900991 -6.18440541 5.65950312
-0.00003263 -0.00039335 0.00006347
-0.00478030 0.00066967 0.01202482
0.50783246 -6.08143988 8.60076177
0.00105256 -0.00124841 -0.00059224
-0.00198760 0.00589831 -0.00889154
-0.54793616 -2.86207922 -19.17769833
0.00013717 0.00024565 -0.00111837
-0.02350670 0.03060444 -0.00321441
-2.99341216 -1.88999976 -20.59761829
-0.00027885 -0.00071880 -0.00030202
-0.00041906 -0.00262240 0.00195277
2.59909486 2.69286637 -10.80076381
0.00034739 0.00099138 0.00102250
-0.00038641 0.00668636 -0.01291784
2.12281789 2.44460623 -7.84122794
-0.00008255 -0.00141777 0.00003127
0.01164354 -0.01577668 -0.01935370
-2.34552095 16.81980844 12.39493416
-0.00006649 0.00031985 -0.00020057
0.04206620 -0.03493811 -0.00454274
-3.51710196 18.83775014 13.79368616
-0.00042189 -0.00066209 0.00113732
-0.00907837 -0.00213178 -0.01058273
-5.19357411 6.34685595 -11.31370618
-0.00015913 -0.00127689 0.00101226
0.02001074 -0.03045977 -0.00925613
-3.90771050 3.65890268 -12.43672539
-0.00115685 0.00067771 0.00077667
-0.00259637 0.03029182 0.02256772
-7.63140299 2.04645477 -7.38474881
0.00040355 -0.00067969 0.00037132
-0.00657432 -0.01053153 0.00530346
-6.14653406 3.37016626 -9.41049327
-0.00021755 -0.00026492 -0.00010714
-0.04501907 -0.00808095 0.00473134
2.84905167 28.16800032 7.09673783
0.00066467 -0.00004406 -0.00053353
-0.00046357 0.00319765 -0.01191594
0.87493932 28.42510751 9.25054570
0.00073568 0.00081307 -0.00033869
0.01362402 -0.00921996 -0.00956916
10.66777643 -7.46625460 -0.79308007
-0.00033510 0.00048964 -0.00025160
-0.01118909 0.01107730 -0.00872542
8.53226704 -7.14321206 -2.91302085
-0.00019119 -0.00008432 0.00035592
0.00626377 -0.00438818 0.01040759
-6.94178598 0.47804768 6.58008497
-0.00048365 -0.00068136 0.00091177
-0.02350571 0.00021353 -0.00625009
-9.62728546 -0.32870851 7.04667141
-0.00005163 0.00109417 0.00049470
-0.02254208 -0.02031697 0.02113178
21.67685223 10.33570959 9.99388443
-0.00030372 0.00079169 0.00090128
0.00245133 0.00154996 0.00906201
20.91535420 12.57269738 8.29938704
-0.00091539 -0.00016093 0.00037759
-0.01161677 -0.01896357 0.00345861
-1.31653602 -3.47547362 -26.54195164
0.00123741 0.00004160 0.00050343
0.01674173 -0.02833609 0.02160005
-3.91240261 -2.09305197 -26.79835867
-0.00031701 0.00030443 0.00047334
0.01404441 -0.00195461 0.00216674
-13.85119154 7.21195762 9.21561782
0.00018426 0.00039241 0.00007276
-0.00116522 0.00240863 0.00089325
-15.52208639 7.18052520 6.86349716
-0.00019174 0.00062556 0.00079672
0.00873731 -0.00032874 0.00470764
-11.29529570 7.60819443 -2.84252347
-0.00029818 0.00084060 0.00098311
-0.00109147 0.00179844 -0.00703392
-8.43922438 8.21229133 -3.53304226
-0.00014358 -0.00025161 0.00029674
-0.00135836 0.01372257 -0.01894370
-0.91858968 -17.05796096 23.09340302
0.00017973 0.00062866 -0.00064191
-0.02089924 0.00792423 0.00458458
-3.69623088 -15.55018804 23.89693090
0.00094117 0.00025382 -0.00087234
0.05417780 -0.00802579 -0.01056112
-2.22654694 6.26934458 -8.03468482
-0.00032042 0.00053688 -0.00003844
-0.01904694 -0.00095010 0.01438105
-4.40962899 7.05535325 -5.99156147
-0.00114543 -0.00076447 0.00039457
0.02113375 -0.00300902 -0.00688255
-21.30705447 29.90656624 3.10981163
0.00023996 -0.00045160 0.00033257
-0.01513378 -0.00089500 -0.01048388
-21.10774072 31.15347399 5.69432642
0.00083273 -0.00083179 -0.00061098
-0.00878199 0.00541486 0.00066176
7.02823769 -0.28487502 5.99963791
-0.00028503 0.00092787 0.00033547
0.00039808 0.02134291 0.01450996
7.63243792 2.07611158 8.00118421
-0.00050756 0.00044617 -0.00064125
-0.00925151 -0.00920693 -0.01282870
7.13225758 12.75306382 -14.01233642
0.00001290 0.00017213 0.00107784
-0.00881284 -0.00706178 0.01764878
4.57442076 11.77448312 -14.78859165
0.00061233 -0.00003583 0.00005886
-0.05745048 0.01022351 -0.06051839
14.39953321 3.69465648 -2.94565354
-0.00030937 0.00006189 0.00070050
-0.00173915 0.00680391 0.00257860
14.95968742 1.11618099 -1.96301035
-0.00045243 -0.00031003 -0.00002901
-0.00964283 -0.03560264 0.00372738
-2.65194243 13.06163257 -0.45514752
0.00006329 -0.00072968 -0.00013437
0.00329407 -0.00563092 0.00901431
-5.48918375 12.98088456 0.58447208
-0.00068228 0.00034929 0.00010181
0.00015379 -0.00494657 0.01106445
3.64716104 10.99506119 3.41850918
-0.00026739 0.00155654 -0.00087289
-0.01951034 -0.02250060 0.00187320
6.43882740 11.73870867 2.94996511
-0.00055877 -0.00063927 -0.00022227
-0.01991422 0.00258843 0.00781950
25.22961239 -12.52351855 -8.29318708
0.00035532 0.00056394 -0.00041140
-0.00097707 -0.00186599 -0.00879598
26.53890605 -11.65863443 -10.89871183
-0.00017292 -0.00032822 0.00077854
0.02166811 0.00181640 -0.01704939
14.87405804 -3.67739107 -0.25048693
0.00093870 0.00075023 0.00124924
-0.01556263 0.00519913 0.00512884
17.08071721 -5.41872338 -0.58849546
-0.00044225 -0.00030048 0.00030573
0.00961174 -0.03134552 -0.00296042
12.39828538 8.01071239 11.84619717
-0.00005705 -0.00049448 -0.00092742
-0.00447271 -0.00713201 -0.00930791
13.47848115 9.74267862 9.83207804
0.00004258 0.00012043 -0.00007344
-0.00063896 0.00470319 -0.01434708
-0.12269066 -14.71843063 17.21713972
-0.00001749 -0.00060518 0.00015842
0.01132603 0.01931653 0.00851031
1.50089174 -12.37382191 18.34088489
0.00023834 -0.00066654 0.00021025
-0.00625371 0.01560235 0.01022661
-3.91272988 -2.31087152 -13.32754879
-0.00041101 -0.00019628 0.00128854
0.00027582 -0.00142134 0.00576717
-3.34911364 -1.07160854 -15.91329058
-0.00034927 -0.00048880 0.00114043
0.00755649 -0.00205742 -0.00151676
14.59793289 -8.19793364 -10.52557768
0.00115456 0.00015640 0.00063784
-0.01516019 -0.00921874 -0.01250733
16.28066368 -6.36805965 -9.40143054
-0.00003292 0.00074526 0.00083955
0.03022928 0.03186238 0.00470664
6.81836928 -6.03805872 8.77561816
-0.00089493 -0.00036180 -0.00082212
0.01204378 0.00755725 -0.00506548
9.57758864 -6.53610291 7.55572800
0.00092275 -0.00047137 0.00003601
0.00413584 0.01589512 -0.01147783
-21.81185072 2.01371274 20.98051043
-0.00046173 -0.00009917 0.00009425
0.01544575 0.00142811 0.02910296
-22.16720560 1.27716896 23.89555838
-0.00071465 0.00090990 -0.00007753
-0.01012856 -0.01478164 0.00173349
26.71171428 -2.95516404 -6.59712761
0.00016039 0.00013865 -0.00016066
-0.00055203 -0.00288321 0.00174199
25.23928080 -1.48750398 -8.58353152
0.00019654 -0.00006739 -0.00039087
0.00190543 -0.01471953 0.00157836
9.54211555 -15.74331437 -7.62816137
0.00071635 -0.00042380 0.00017798
0.00471737 0.01270075 -0.00940225
9.19552728 -12.96330456 -6.81533694
0.00061686 -0.00036198 0.00008356
0.00110617 0.00237672 -0.00912000
-6.00280193 -11.29967113 18.19138727
0.00024526 0.00011039 0.00094775
0.00691647 0.00857510 0.00269642
-7.15163257 -11.43978363 15.49767378
0.00039724 -0.00012208 -0.00029615
0.00193601 0.00167545 0.00535319
8.45591753 1.45958460 -29.31056386
-0.00007927 -0.00094904 -0.00020355
-0.00511203 -0.00163097 -0.00630640
6.17766377 3.37251619 -29.92939702
-0.00013668 -0.00068054 0.00044055
0.01562478 -0.01917590 -0.00605622
12.67864648 15.43768362 14.70411733
-0.00012343 -0.00060948 0.00034259
0.00038775 -0.01189226 -0.01605740
11.17402971 15.81806364 17.04375196
0.00023817 0.00009458 0.00010561
0.00240250 0.01634079 0.05563287
29.25531167 4.80309759 -4.48823349
-0.00015621 -0.00001560 -0.00041836
0.00605347 0.00975914 0.00828478
26.93931703 6.40678712 -3.95560352
0.00043481 0.00025516 0.00008179
0.00672935 0.01022374 0.01213826
-9.94164512 4.85657035 6.66484364
-0.00000795 0.00006864 -0.00024085
-0.00226234 0.01227777 0.00104806
-8.73738589 13.32738749 2.59532453
-0.00008919 0.00006384 -0.00000298
-0.00442168 -0.00128134 0.00112897
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09606010
0.31185581
415.53222969
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4342587592 (a.u.)
total exchange computation time: 2.8025391102 s
-154.5212236794
-931.41199539
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4333517056 (a.u.)
total exchange computation time: 2.8021330833 s
-154.5295692707
Anderson extrapolation: theta=1.3511489930 (1.3511489930)
-931.41221329
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4320150456 (a.u.)
total exchange computation time: 2.8003411293 s
-154.5417388194
Anderson extrapolation: theta=0.0553485576 (0.0553485576)
-931.41234414
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4318566844 (a.u.)
total exchange computation time: 2.8005278111 s
-154.5431329781
Anderson extrapolation: theta=2.0170427519 (2.0000000000)
-931.41234931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4315212143 (a.u.)
total exchange computation time: 2.8026390076 s
-154.5460391193
Anderson extrapolation: theta=0.2453207971 (0.2453207971)
-931.41235473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4314397579 (a.u.)
total exchange computation time: 2.8007340431 s
-154.5467039339
Anderson extrapolation: theta=1.7495193067 (1.7495193067)
-931.41235573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4313251342 (a.u.)
total exchange computation time: 2.8008451462 s
-154.5475951433
Anderson extrapolation: theta=0.2938984993 (0.2938984993)
-931.41235667
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4313190666 (a.u.)
total exchange computation time: 2.8054199219 s
-154.5475979742
Anderson extrapolation: theta=1.2495185801 (1.2495185801)
-931.41235687
-116.447223 67.613776 142.015140
559.572589 1031.464722 -410.705051
443.125366 1099.078499 -268.689911
1215.124646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4313317628 (a.u.)
total exchange computation time: 2.8005030155 s
679.88417380
-1085.59305985
89.70687104
-387.95241601
-175.02659416
79.31238594
551.60419304
0.00000000
-931.41235695
4.01602880 -31.01222328 -2.24984076
0.00020443 -0.00054989 0.00012105
0.00588795 -0.00573452 -0.00059994
-11.50020130 -1.70586117 -9.27007881
0.00015886 0.00042966 -0.00002297
0.00446967 0.01647473 0.01075716
-37.49226937 2.44136814 0.17399043
-0.00002988 -0.00016848 0.00023200
-0.01783145 -0.01219542 0.01006737
-11.71323015 -4.16771625 3.90446548
-0.00006300 -0.00007104 0.00018130
-0.01771689 0.00977028 0.00740849
4.20881091 -3.97833003 9.13089512
-0.00022424 -0.00013640 -0.00031944
-0.00852071 -0.03647920 0.00664068
-32.25463299 -0.37629421 -0.30760241
-0.00052660 0.00025983 0.00036824
0.00393297 -0.04675336 -0.02671889
14.42697847 12.54679637 -13.72114972
-0.00042246 -0.00012316 0.00012440
0.00318798 0.00352960 -0.04496232
-7.71716952 6.06164239 2.63533880
-0.00004096 0.00012379 0.00031709
-0.00510058 -0.00872711 -0.03060715
7.49844916 12.45702898 -5.92847909
-0.00035004 -0.00039351 -0.00021329
0.01642739 0.00266872 0.01743872
8.82705622 9.91385571 -18.96422316
-0.00007135 0.00007806 -0.00004270
0.00193454 -0.00025693 -0.01037523
23.24776987 17.33066339 -2.21737964
-0.00029639 -0.00005400 -0.00009934
0.00747003 -0.01557131 -0.00205560
2.14527091 16.83124993 -19.59557817
-0.00024098 0.00000181 -0.00009890
0.00302645 -0.00008787 -0.03423672
14.02192001 -1.10996472 -5.70192758
-0.00008935 0.00028287 -0.00026090
-0.01471951 0.00187556 -0.00114586
-16.06949349 -1.39610520 3.22087228
0.00001256 0.00016414 0.00010675
0.04543788 0.01940737 0.01968620
-16.50330251 -2.01644130 18.90938982
0.00054920 -0.00024623 -0.00027591
-0.02469875 0.00800956 -0.01407013
0.42108826 2.03163570 -4.87879094
0.00012488 0.00002479 0.00021794
0.00756706 0.03623204 0.00450624
22.67222303 -7.11862681 -8.83583076
0.00021015 0.00009292 0.00007341
0.00790603 -0.00069276 -0.00149739
-0.72659283 -6.32284392 7.24973950
-0.00021315 0.00008264 0.00005037
0.01086922 -0.00815399 -0.00169143
-1.74650875 -1.36342305 -19.33835290
0.00011751 0.00008416 0.00010212
0.01323037 -0.03357500 0.00075011
3.21785324 1.86465816 -9.31385763
-0.00008726 -0.00031344 0.00000503
-0.01086850 0.00377632 0.03945176
-3.83387809 17.74815690 12.30534518
0.00017307 -0.00021499 -0.00006526
-0.02198650 0.05113715 0.01169628
-3.84372622 5.00561058 -11.08365181
-0.00001261 0.00011530 -0.00018720
-0.00898613 0.00274980 -0.02084013
-7.97264622 2.86480909 -8.96633564
0.00013715 -0.00021706 0.00001641
0.04701666 0.01786124 -0.00605246
2.35285673 27.45860016 8.67923375
0.00017919 0.00003254 0.00035460
-0.01781738 0.00309725 0.01600662
9.69782329 -6.23416800 -1.81618403
-0.00026396 -0.00010605 0.00013608
0.00225229 -0.00213265 0.00157740
-8.74690584 0.80583923 6.02092174
0.00005430 0.00006349 0.00003144
0.04671116 0.01124115 -0.01125228
20.36158235 10.82540492 8.83541481
0.00012631 0.00016051 -0.00021311
0.00900894 0.01766458 -0.01167790
-2.13976295 -2.14113030 -27.36600981
0.00036841 0.00001307 -0.00040031
-0.03973711 0.02221787 -0.01776600
-14.31450372 6.16372321 7.80035390
0.00011743 -0.00011868 0.00028304
0.00091310 -0.00191254 -0.00451444
-9.55546627 7.30271118 -2.43719825
0.00003668 -0.00005821 0.00035191
-0.02224268 -0.02704096 0.03687668
-1.79445641 -15.42179570 23.47389588
-0.00012272 0.00034426 -0.00032637
-0.02503931 -0.00200155 0.00620762
-2.69113199 6.32635920 -6.22750129
0.00002506 -0.00000074 0.00018628
-0.00725113 0.00164180 -0.00645602
-20.14542767 30.78872955 4.19544455
-0.00043001 -0.00069919 -0.00009047
0.01848497 -0.00528940 0.01283555
7.63635193 0.25658784 7.70241734
0.00012558 0.00018708 -0.00034966
0.00651062 -0.00161114 0.00811094
5.71932020 11.54499665 -13.55812141
0.00008872 -0.00006828 0.00029793
0.05779040 -0.02332621 0.04420370
15.52381661 2.76753239 -1.84751359
0.00003767 -0.00007303 0.00021422
0.02022085 0.04061226 0.00322448
-4.39389944 13.35001570 -0.82236647
-0.00010719 -0.00035129 0.00019862
0.00105737 0.00545071 -0.02635854
4.66202650 12.41023479 2.94554154
0.00020684 -0.00001872 -0.00046201
0.03798427 0.04019679 -0.01788721
25.06203542 -11.58411196 -9.87656490
0.00016745 0.00019480 -0.00027193
-0.03508468 -0.00548638 0.03740120
16.62912343 -3.69070670 -0.61575946
0.00026151 0.00029110 -0.00026657
0.01482098 0.02670625 -0.00346967
13.08802594 7.97578362 10.11942197
0.00028109 0.00003155 0.00033446
0.00995748 -0.00841413 0.00788918
1.58972126 -14.00892459 17.62959287
0.00005939 -0.00004526 -0.00009363
0.00341472 -0.03218409 -0.02049522
-3.98064793 -0.72303429 -14.23144247
0.00056664 0.00003571 -0.00006873
-0.01023685 0.00608421 0.00505139
15.07917144 -7.60378252 -8.88903166
-0.00020520 0.00024417 -0.00001130
-0.02041475 -0.03002831 0.01905619
8.42081175 -7.00585610 8.84872086
-0.00018186 -0.00020667 0.00024962
-0.00027365 0.00124161 0.00727340
-21.16315293 2.28378857 22.76641463
0.00020467 0.00002518 0.00013732
-0.00070194 0.01569270 -0.03792911
25.68609728 -3.25876130 -8.08860872
-0.00003912 0.00009540 -0.00024231
0.00644702 0.02900791 0.00083483
9.87171720 -13.98470055 -8.19943140
0.00008310 0.00028756 -0.00045988
-0.00785587 -0.02273527 0.01834350
-6.72042559 -12.44981736 16.97205949
-0.00015399 -0.00002550 -0.00001407
0.01381073 0.01064858 -0.01133574
7.93986705 3.20372084 -29.34911608
-0.00049672 -0.00024260 0.00003853
-0.00518827 0.00865091 0.00320192
10.91348147 15.42574151 15.37123020
0.00031777 0.00026485 -0.00001016
-0.00080560 0.00861613 -0.04210959
28.68692404 6.17806190 -3.34289695
0.00007937 0.00023154 -0.00026094
-0.00871807 -0.01218150 -0.01422863
5.43153757 -31.43122319 -3.40873360
-0.00043946 -0.00061406 -0.00034002
-0.00837250 -0.00036428 0.01024067
4.46465925 -31.35208169 -0.46611402
0.00053828 0.00067494 -0.00003385
-0.00203025 -0.00365643 -0.00945179
-11.79188468 -3.41197768 -8.80013966
-0.00069108 0.00019935 -0.00058772
-0.00603626 -0.02182574 0.00046431
-12.50331564 -1.30065223 -10.70028325
-0.00001803 0.00062713 -0.00047203
-0.00989152 0.00173262 -0.01434320
-39.07612406 1.95753862 1.04519482
-0.00001720 -0.00004403 0.00057708
0.01986444 0.01012345 -0.00855810
-37.93877605 3.84942775 -0.90828018
-0.00020860 0.00056132 -0.00061893
-0.00077303 0.00779074 -0.00373570
-10.59342461 -5.53667155 3.50613671
0.00012920 -0.00095063 -0.00059222
0.00882392 -0.01690521 -0.00601376
-10.72125214 -2.68553860 3.67239123
-0.00022733 0.00058086 0.00025831
0.01194087 0.01201268 0.00221481
4.69141378 -2.45671099 8.39630974
-0.00079583 0.00058661 -0.00008031
0.01236705 0.03572771 -0.02128497
4.35470219 -3.61711517 10.91184256
-0.00126898 -0.00027206 -0.00025829
-0.00151624 -0.00396132 0.01158141
-33.61605500 -1.59673743 -0.39406242
-0.00082401 0.00066348 0.00104039
0.00009988 0.00594997 0.00145744
-32.72563154 0.82548266 0.87901693
-0.00042135 0.00018188 -0.00037264
-0.01432795 0.03059448 0.02421190
14.19077649 12.64257186 -15.68222693
-0.00118978 0.00020917 0.00134429
0.00418270 0.00005923 0.04688319
16.21859236 12.21807210 -13.50288980
0.00105677 0.00056110 0.00008906
0.00254409 -0.00014426 -0.00514655
-8.68942981 7.29364363 1.62910630
0.00023878 0.00049197 -0.00010693
0.01000095 -0.00668206 0.00888434
-7.41225923 4.78641067 1.25444445
0.00023986 -0.00024546 -0.00125576
-0.00177629 0.01121830 0.01903061
6.10830341 12.33316708 -7.03416623
-0.00001927 0.00015249 -0.00060218
-0.01436427 0.00036557 -0.01970686
8.85647031 13.63004852 -6.68600172
0.00049181 0.00006382 -0.00011152
-0.00940024 -0.01043781 0.00230704
8.49228665 8.80912971 -20.36552987
-0.00020286 -0.00084088 0.00001579
-0.00343835 -0.01003580 -0.00177691
9.97838761 11.12840170 -19.72123765
0.00087617 0.00013958 0.00008707
0.01306889 0.00153347 0.00843514
23.88275580 15.60891810 -2.66396565
0.00064305 0.00104011 -0.00016328
-0.00160289 0.01080944 0.00116222
24.82439070 18.27860686 -2.32387256
-0.00047691 0.00044057 -0.00069206
-0.00246832 0.00757518 -0.00943356
1.74626104 16.84995776 -21.53036073
0.00068635 0.00014945 -0.00000815
-0.00103652 0.00161741 0.04056094
3.46822196 15.51767274 -19.44764246
0.00102097 0.00016951 -0.00087766
-0.01121919 0.00210841 0.00615342
12.43838453 -0.87679945 -6.66698537
0.00009927 -0.00131558 -0.00069613
0.01760046 -0.00606480 -0.01022339
13.36603773 -0.96687852 -4.02949338
0.00020496 0.00048642 0.00019780
0.00027422 -0.00316807 0.01536635
-17.47416379 -2.19483390 2.55811629
-0.00020686 0.00079139 -0.00022535
-0.03701596 -0.03189331 -0.00921609
-14.60929939 -2.54147375 3.25020800
-0.00033939 -0.00059517 -0.00137667
-0.01207904 -0.00543369 -0.00479783
-16.63601802 -0.70328878 20.15407376
-0.00056517 -0.00061769 -0.00045766
0.00407031 0.01773027 0.00457931
-15.39917985 -3.18268955 19.63402587
0.00047439 -0.00000660 0.00060718
0.02656542 -0.02472738 0.01400632
-0.47807825 0.42025075 -4.90683015
0.00055473 0.00039057 0.00029434
-0.01590727 -0.00170467 -0.00576493
-0.75304441 3.50279482 -4.96290123
-0.00066117 -0.00032797 0.00010365
0.00359447 -0.02626497 -0.00042534
23.50039115 -8.74262828 -9.10745846
-0.00021404 -0.00098287 -0.00013990
-0.00341935 -0.00122881 -0.00376439
24.08331285 -5.92435695 -8.69130689
0.00008839 0.00078515 0.00048897
-0.01131812 0.00098663 0.00418424
0.23837401 -6.19028516 5.66082365
-0.00005368 -0.00039052 0.00011165
-0.00552384 0.00071671 0.01156147
0.52355999 -6.09998529 8.59160565
0.00104133 -0.00122419 -0.00062906
-0.00351165 0.00595650 -0.00912999
-0.54659890 -2.85745661 -19.19457231
0.00004378 0.00036886 -0.00112909
-0.02220748 0.02970735 -0.00203763
-2.99760780 -1.90086210 -20.60208871
-0.00027417 -0.00072509 -0.00028680
0.00271367 -0.00045588 0.00549540
2.60429386 2.70794203 -10.78582222
0.00034380 0.00102113 0.00096424
-0.00136934 0.00787561 -0.01559779
2.12193638 2.42285627 -7.84135188
-0.00003676 -0.00147976 -0.00004474
0.01077454 -0.01457043 -0.01785624
-2.34522932 16.82353557 12.39178636
0.00011236 0.00017324 -0.00021888
0.04548621 -0.03682975 -0.00441908
-3.52370857 18.82775342 13.81042164
-0.00045887 -0.00067461 0.00108808
-0.00901940 -0.00399568 -0.01351937
-5.19534783 6.32676917 -11.29880596
-0.00008510 -0.00139167 0.00097292
0.01622559 -0.02572465 -0.01000207
-3.92514287 3.66999649 -12.42438382
-0.00116630 0.00079195 0.00085975
-0.00202516 0.02563304 0.01810322
-7.62555122 2.03593663 -7.37901644
0.00037496 -0.00071884 0.00038507
-0.00742192 -0.00863031 0.00142382
-6.15117680 3.36594485 -9.41195532
-0.00039812 -0.00029746 -0.00008780
-0.04337414 -0.00784769 0.00473316
2.85900748 28.16743735 7.08836969
0.00065883 -0.00003734 -0.00056909
-0.00239587 0.00009254 -0.00549002
0.88639206 28.43702098 9.24517214
0.00078770 0.00077702 -0.00037586
0.01184037 -0.00842394 -0.00862789
10.66240702 -7.45857052 -0.79712145
-0.00037634 0.00052894 -0.00028230
-0.00899883 0.00815699 -0.00630189
8.52959120 -7.14461128 -2.90736311
-0.00016756 -0.00010364 0.00039654
0.00530066 -0.00507217 0.00947693
-6.94976104 0.46783377 6.59357004
-0.00057598 -0.00067902 0.00088498
-0.02169072 0.00093320 -0.00686350
-9.62875071 -0.31291852 7.05473953
-0.00014835 0.00100816 0.00058386
-0.02480173 -0.02178692 0.02251029
21.67237156 10.34763248 10.00768125
-0.00029659 0.00079907 0.00093514
0.00103924 0.00205951 0.00751455
20.90126737 12.56970226 8.30515691
-0.00095933 -0.00023092 0.00038894
-0.00989299 -0.01529624 0.00209840
-1.29746180 -3.47571785 -26.53373825
0.00129765 -0.00006265 0.00058499
0.01274472 -0.02269712 0.01832029
-3.91672746 -2.08854543 -26.79119222
-0.00024737 0.00029525 0.00047867
0.02004663 -0.00253823 0.00044335
-13.84846342 7.21791753 9.21673653
0.00017992 0.00040002 0.00007561
-0.00095530 0.00131762 0.00050339
-15.52469480 7.18989852 6.87559223
-0.00015299 0.00062062 0.00081723
0.01023365 -0.00208949 0.00533274
-11.29980180 7.62085849 -2.82799237
-0.00029723 0.00084682 0.00095554
0.00155327 0.00124980 -0.00646218
-8.44141964 8.20893764 -3.52917172
-0.00014765 -0.00019400 0.00021778
-0.00063792 0.01448064 -0.01970601
-0.91653414 -17.04828818 23.08391480
0.00009442 0.00066069 -0.00062314
-0.02085964 0.00775195 0.00460660
-3.68045309 -15.54662662 23.88352224
0.00115040 0.00022014 -0.00091259
0.04823919 -0.00846293 -0.00914577
-2.23193695 6.27736873 -8.03482068
-0.00039784 0.00053245 0.00002150
-0.01885057 -0.00122260 0.01495596
-4.42616279 7.04379405 -5.98585387
-0.00105016 -0.00077937 0.00036559
0.02549829 -0.00428567 -0.00729990
-21.30391888 29.89976486 3.11447892
0.00017121 -0.00046047 0.00028384
-0.01851880 -0.00344888 -0.01337103
-21.09551885 31.14116313 5.68518197
0.00078692 -0.00080639 -0.00059368
-0.01364204 0.00701902 0.00780808
7.02397451 -0.27030302 6.00511458
-0.00028517 0.00101040 0.00038683
-0.00047146 0.01905995 0.01063118
7.62454097 2.08252198 7.99117229
-0.00054472 0.00040588 -0.00069256
-0.00893533 -0.01051390 -0.01228682
7.13218097 12.75542943 -13.99562801
-0.00002152 0.00014398 0.00114868
-0.00803611 -0.00671841 0.01702790
4.58184525 11.77425893 -14.78956315
0.00037785 0.00000597 -0.00018920
-0.05733154 0.01024050 -0.06091113
14.39483941 3.69579338 -2.93506700
-0.00031662 0.00009007 0.00071063
-0.00180948 0.00699102 0.00238090
14.95260546 1.11043960 -1.96333124
-0.00048887 -0.00044666 -0.00001263
-0.00819166 -0.03127804 0.00428945
-2.65089214 13.05051476 -0.45688679
0.00007347 -0.00075234 -0.00009719
0.00168676 -0.00545715 0.00918283
-5.49941316 12.98597231 0.58633824
-0.00067952 0.00032887 0.00014614
0.00119635 -0.00504706 0.01063639
3.64255241 11.01771979 3.40547325
-0.00035626 0.00145217 -0.00086100
-0.02399347 -0.02858841 0.00394722
6.42983561 11.72919889 2.94687068
-0.00063334 -0.00063070 -0.00019049
-0.01658788 0.00160923 0.00773595
25.23491222 -12.51511663 -8.29962759
0.00035051 0.00055410 -0.00044303
-0.00137695 -0.00294927 -0.00668683
26.53697624 -11.66350206 -10.88755619
-0.00007406 -0.00032081 0.00070052
0.02672205 0.00181010 -0.02114092
14.88766164 -3.66597824 -0.23159122
0.00086908 0.00077247 0.00127178
-0.01851462 0.00568449 0.00590782
17.07437806 -5.42419105 -0.58400019
-0.00040416 -0.00042087 0.00029325
0.00903202 -0.02758892 -0.00315156
12.39729257 8.00307669 11.83200061
-0.00007975 -0.00052223 -0.00095220
-0.00663825 -0.00645569 -0.00282180
13.47910026 9.74462923 9.83053685
0.00003965 0.00013810 -0.00013085
-0.00079387 0.00394660 -0.01375739
-0.12260588 -14.72691637 17.21977685
0.00003063 -0.00052450 0.00019377
0.01222517 0.02017401 0.00879334
1.50427527 -12.38334188 18.34435207
0.00021187 -0.00059573 0.00025538
-0.00670680 0.01905818 0.01186161
-3.91888653 -2.31385926 -13.30804392
-0.00040960 -0.00019098 0.00130495
0.00041080 0.00401651 0.00226326
-3.35412110 -1.07900352 -15.89623054
-0.00031117 -0.00050167 0.00111597
0.01109360 -0.00424644 -0.01045690
14.61478670 -8.19587018 -10.51639333
0.00108883 0.00011415 0.00057365
-0.01701365 -0.01146007 -0.01891404
16.28109625 -6.35590432 -9.38869311
0.00008780 0.00087200 0.00085934
0.02886033 0.03017317 0.00498215
6.80531432 -6.04325414 8.76313115
-0.00083942 -0.00033311 -0.00084231
0.01513038 0.00648652 -0.00481968
9.59155669 -6.54268643 7.55591637
0.00092983 -0.00040996 -0.00000101
-0.00067458 0.01416579 -0.00664226
-21.81830342 2.01226901 20.98281602
-0.00039672 -0.00009221 0.00021501
0.01638098 0.00197577 0.03001100
-22.17823571 1.29036451 23.89444857
-0.00075629 0.00084863 -0.00006840
-0.01025706 -0.01520912 0.00273483
26.71410327 -2.95317259 -6.59948408
0.00015670 0.00012619 -0.00015585
-0.00125571 -0.00321653 0.00060994
25.24228722 -1.48896587 -8.58934622
0.00020349 -0.00012538 -0.00038508
0.00149717 -0.01366986 0.00125863
9.55300534 -15.74928211 -7.62577983
0.00073671 -0.00036324 0.00013602
0.00525162 0.01694033 -0.01113736
9.20481410 -12.96866139 -6.81436297
0.00062010 -0.00035020 0.00004784
0.00047945 0.00339101 -0.00836818
-5.99891113 -11.29775258 18.20568622
0.00026793 0.00013731 0.00094867
0.00418237 0.00460674 -0.00224976
-7.14561462 -11.44156355 15.49339550
0.00040553 -0.00011484 -0.00027313
0.00212287 0.00186895 0.00591953
8.45457186 1.44529908 -29.31381039
-0.00010313 -0.00094372 -0.00022926
-0.00656804 0.00423304 -0.00627592
6.17609235 3.36172043 -29.92297432
-0.00007970 -0.00075758 0.00041338
0.01226954 -0.01853401 -0.00724363
12.67680698 15.42817701 14.70876412
-0.00011637 -0.00065761 0.00027442
0.00306397 -0.01166548 -0.01731045
11.17767595 15.81998312 17.04704087
0.00024722 0.00016055 0.00032956
0.00202775 0.01594790 0.05399299
29.25315400 4.80316256 -4.49425498
-0.00013173 0.00002580 -0.00038325
0.00592862 0.01050868 0.00890165
26.94604544 6.41092780 -3.95400470
0.00045627 0.00029787 0.00012924
0.00377186 0.01068352 0.01108866
-9.94177051 4.85763291 6.66123368
-0.00000875 0.00007305 -0.00024049
-0.00218121 0.01238778 0.00098993
-8.73873145 13.32834293 2.59528186
-0.00009023 0.00006356 -0.00000273
-0.00456180 -0.00117168 0.00098256
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09618132
0.31617563
421.28817414
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4305496941 (a.u.)
total exchange computation time: 2.8440599442 s
-154.5146132722
-931.41651456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4296983122 (a.u.)
total exchange computation time: 2.8440549374 s
-154.5224753230
Anderson extrapolation: theta=1.3492468265 (1.3492468265)
-931.41673187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4284344772 (a.u.)
total exchange computation time: 2.8449969292 s
-154.5340172724
Anderson extrapolation: theta=0.0541902714 (0.0541902714)
-931.41686210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.4282772558 (a.u.)
total exchange computation time: 2.8444471359 s
-154.5354017665
Anderson extrapolation: theta=1.9622900220 (1.9622900220)
-931.41686713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4279449348 (a.u.)
total exchange computation time: 2.8423328400 s
-154.5382730415
Anderson extrapolation: theta=0.2317234912 (0.2317234912)
-931.41687240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4278632990 (a.u.)
total exchange computation time: 2.8451938629 s
-154.5389297744
Anderson extrapolation: theta=1.8342872462 (1.8342872462)
-931.41687341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4277372546 (a.u.)
total exchange computation time: 2.7963969707 s
-154.5398913510
Anderson extrapolation: theta=0.2888264578 (0.2888264578)
-931.41687454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4277249482 (a.u.)
total exchange computation time: 2.7964811325 s
-154.5399341206
Anderson extrapolation: theta=1.3043346413 (1.3043346413)
-931.41687482
-116.411102 67.645013 142.065315
559.574643 1031.460414 -410.672711
443.163541 1099.105427 -268.607396
1215.144681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4277268847 (a.u.)
total exchange computation time: 2.8462579250 s
679.81638304
-1085.45731726
89.71587433
-388.04742868
-175.01665956
79.23753944
551.60419304
0.00000000
-931.41687502
4.01911799 -31.02049371 -2.24802740
0.00020692 -0.00055245 0.00012044
0.00378472 -0.00421551 -0.00174639
-11.49780109 -1.69935267 -9.27038193
0.00016030 0.00043771 -0.00001830
0.00112089 0.01483206 0.00742558
-37.49278634 2.43879394 0.17750929
-0.00003952 -0.00017316 0.00023600
-0.01965829 -0.00601969 0.00548864
-11.71424349 -4.16874422 3.90721350
-0.00007067 -0.00006668 0.00018457
-0.01209334 0.00718103 0.00532153
4.20541446 -3.98051669 9.12612916
-0.00022829 -0.00015422 -0.00031661
-0.00724415 -0.03282195 0.00435429
-32.26251687 -0.37257708 -0.30218193
-0.00052421 0.00023502 0.00035379
0.00538150 -0.04975043 -0.02945842
14.42065391 12.54496263 -13.71945718
-0.00041845 -0.00012173 0.00010294
0.01239247 0.00200402 -0.03849212
-7.71780358 6.06346565 2.63997712
-0.00004352 0.00011841 0.00029959
-0.00486058 -0.01221379 -0.03745839
7.49326187 12.45113664 -5.93161117
-0.00034088 -0.00039150 -0.00020465
0.01921242 0.00512656 0.01614709
8.82599339 9.91502569 -18.96490370
-0.00006999 0.00007787 -0.00004909
0.00336790 -0.00049664 -0.01448021
23.24335285 17.32979337 -2.21887760
-0.00029233 -0.00006088 -0.00010037
0.00832100 -0.01119212 -0.00198303
2.14166789 16.83127675 -19.59719378
-0.00023827 0.00000088 -0.00011635
0.00751685 -0.00354492 -0.03362593
14.02052300 -1.10571448 -5.70584548
-0.00009670 0.00028376 -0.00026064
-0.01385412 0.00161209 0.00213196
-16.06912978 -1.39356823 3.22254942
0.00003577 0.00017351 0.00011659
0.04480974 0.01702813 0.01859739
-16.49515983 -2.02010393 18.90519684
0.00053693 -0.00024294 -0.00028328
-0.02301478 0.00481998 -0.01455847
0.42299061 2.03214733 -4.87550443
0.00012885 0.00004428 0.00022027
0.00786851 0.03955316 0.00453970
22.67540578 -7.11723571 -8.83473537
0.00021488 0.00009175 0.00007252
0.01046756 -0.00385991 -0.00198408
-0.72974815 -6.32163574 7.25048859
-0.00020705 0.00007848 0.00004973
0.01284096 -0.00802875 -0.00082119
-1.74469502 -1.36229020 -19.33681820
0.00012306 0.00006679 0.00010131
0.00833474 -0.03397441 -0.00389819
3.21650242 1.85997110 -9.31363000
-0.00009239 -0.00031202 0.00002529
-0.00907136 0.00175248 0.03934652
-3.83136685 17.74512935 12.30441139
0.00016135 -0.00018810 -0.00005855
-0.02360388 0.05342297 0.01438856
-3.84394997 5.00735073 -11.08654018
-0.00001616 0.00011684 -0.00019644
-0.00484555 0.00321331 -0.01510554
-7.97040765 2.86162205 -8.96611278
0.00016085 -0.00020854 0.00001438
0.04514790 0.01526758 -0.00186051
2.35547582 27.45910026 8.68461456
0.00017107 0.00003464 0.00036092
-0.01375062 0.00506768 0.00855396
9.69387265 -6.23576700 -1.81413678
-0.00026319 -0.00010614 0.00013640
0.00070453 0.00180832 -0.00033591
-8.74591122 0.80683494 6.02134987
0.00007812 0.00006918 0.00002567
0.04594854 0.01087185 -0.01117785
20.36351181 10.82788069 8.83217316
0.00013087 0.00016831 -0.00021828
0.00871198 0.01266514 -0.00845728
-2.13439005 -2.14084857 -27.37208300
0.00034771 0.00002294 -0.00040808
-0.04075337 0.01616199 -0.01244600
-14.31273881 6.16193562 7.80458203
0.00011751 -0.00011895 0.00028071
-0.00056694 0.00088083 -0.00453293
-9.55500193 7.30173371 -2.43177734
0.00002452 -0.00007203 0.00037072
-0.02501785 -0.02667875 0.03626421
-1.79639383 -15.41663945 23.46902434
-0.00013378 0.00034342 -0.00032365
-0.01794866 -0.00126799 0.00433718
-2.69078399 6.32635437 -6.22473193
0.00002030 0.00000040 0.00018302
-0.01126494 0.00281082 -0.00622753
-20.15180652 30.77822123 4.19413704
-0.00041833 -0.00070156 -0.00008504
0.02694444 -0.00391223 0.00826234
7.63826080 0.25938778 7.69720379
0.00012921 0.00018712 -0.00034448
0.00759264 0.00177329 0.01199642
5.72087394 11.54388242 -13.55348202
0.00011739 -0.00008038 0.00031994
0.05367512 -0.02371186 0.04140540
15.52445970 2.76659360 -1.84428783
0.00004757 -0.00005355 0.00021578
0.01828344 0.03512885 0.00284476
-4.39550327 13.34476737 -0.81948880
-0.00010654 -0.00034855 0.00018523
0.00147206 0.00518981 -0.02573303
4.66527562 12.41010904 2.93854239
0.00022644 0.00000346 -0.00047150
0.03824043 0.04606005 -0.01902062
25.06441189 -11.58121114 -9.88049958
0.00014831 0.00019222 -0.00025233
-0.03934205 -0.00454768 0.03880313
16.63310332 -3.68623716 -0.61977136
0.00026988 0.00030346 -0.00026847
0.01769861 0.02136012 -0.00391710
13.09228077 7.97622444 10.12446925
0.00028693 0.00002729 0.00033655
0.01273443 -0.00814386 0.00025359
1.59062527 -14.00972767 17.62810936
0.00006110 -0.00006258 -0.00010452
0.00325481 -0.03515662 -0.02185147
-3.97218785 -0.72247517 -14.23245400
0.00056036 0.00003806 -0.00006280
-0.01418446 0.00306004 0.01803632
15.07601467 -7.60023574 -8.88912772
-0.00021462 0.00022987 -0.00000018
-0.01622092 -0.02561227 0.02420619
8.41808274 -7.00895132 8.85249318
-0.00018150 -0.00020516 0.00025211
0.00168694 0.00462407 0.00242053
-21.16008555 2.28422674 22.76832811
0.00020408 0.00003312 0.00011767
-0.00161945 0.01518282 -0.03849241
25.68553539 -3.25721841 -8.09224015
-0.00003552 0.00011002 -0.00024148
0.00756109 0.02782801 0.00239318
9.87293334 -13.98047480 -8.20625879
0.00007902 0.00027466 -0.00045022
-0.00800823 -0.02745087 0.01920289
-6.72268216 -12.45015875 16.97180465
-0.00014627 -0.00001916 -0.00001873
0.01620335 0.01399062 -0.00675806
7.93239622 3.20011524 -29.34852575
-0.00049804 -0.00023972 0.00004052
0.00004891 0.00253716 0.00451965
10.91824492 15.42974743 15.37091537
0.00031652 0.00026934 -0.00003041
-0.00406178 0.00885382 -0.03664939
28.68808097 6.18148795 -3.34686590
0.00007575 0.00022496 -0.00026802
-0.00536698 -0.01338711 -0.01332177
5.42468908 -31.44044530 -3.41352006
-0.00047070 -0.00061613 -0.00029910
-0.00691867 -0.00064737 0.00978896
4.47267127 -31.34206964 -0.46691138
0.00053131 0.00065838 -0.00006979
-0.00138233 -0.00445083 -0.00814244
-11.80243590 -3.40965622 -8.80894129
-0.00071457 0.00011414 -0.00058647
-0.00546078 -0.01988684 0.00014969
-12.50388924 -1.29119219 -10.70780319
-0.00005309 0.00063308 -0.00052348
-0.00726841 0.00118035 -0.01084209
-39.07577329 1.95718831 1.05358874
0.00006451 -0.00000213 0.00054099
0.02013289 0.01039154 -0.00910830
-37.94192874 3.85808621 -0.91767854
-0.00020829 0.00058069 -0.00062440
0.00092584 0.00169462 0.00105741
-10.59121627 -5.55144905 3.49706906
0.00015709 -0.00100685 -0.00061370
0.00482949 -0.01061292 -0.00449743
-10.72429617 -2.67645761 3.67633370
-0.00018199 0.00062218 0.00026835
0.01025214 0.00821560 0.00270182
4.67985527 -2.44681710 8.39445279
-0.00074794 0.00072449 -0.00016310
0.01107696 0.03176831 -0.01924084
4.33562098 -3.62131751 10.90832314
-0.00127452 -0.00028832 -0.00021098
-0.00119210 -0.00399574 0.01157631
-33.62841211 -1.58660294 -0.37841197
-0.00082402 0.00068620 0.00104521
-0.00010383 0.00517140 0.00090402
-32.73239087 0.82914842 0.87416926
-0.00048178 0.00031491 -0.00026713
-0.01525425 0.03452197 0.02743362
14.17305801 12.64571120 -15.66062599
-0.00117174 0.00020914 0.00152599
0.00464780 -0.00007093 0.04206391
16.23452194 12.22648416 -13.50171161
0.00104778 0.00056340 0.00006476
-0.00694790 0.00127226 -0.00674895
-8.68554162 7.30081837 1.62777452
0.00028131 0.00046203 -0.00006813
0.01081647 -0.00797070 0.01011264
-7.40871570 4.78307261 1.23619124
0.00023028 -0.00019025 -0.00116642
-0.00291312 0.01580691 0.02470152
6.10757419 12.33546569 -7.04380278
-0.00007768 0.00015418 -0.00068271
-0.01422890 0.00046196 -0.01971221
8.86355941 13.63068594 -6.68760384
0.00044911 0.00001765 -0.00009937
-0.01150016 -0.01216074 0.00364023
8.48913839 8.79620900 -20.36534745
-0.00021411 -0.00087508 0.00001499
-0.00206690 -0.00670809 0.00138682
9.99193066 11.13054246 -19.71967306
0.00092338 0.00013941 0.00012366
0.01004014 -0.00161808 0.00947531
23.89235242 15.62485105 -2.66637921
0.00063714 0.00107473 -0.00016048
-0.00128761 0.00613714 0.00020676
24.81716144 18.28544757 -2.33454259
-0.00048896 0.00047161 -0.00072969
-0.00342884 0.00762041 -0.00898501
1.75652449 16.85224902 -21.52924014
0.00067995 0.00015634 0.00015608
-0.00209596 0.00175747 0.03983472
3.48319279 15.52027993 -19.46061885
0.00096841 0.00018419 -0.00085153
-0.01451162 0.00507928 0.00664122
12.44041291 -0.89671898 -6.67774055
0.00016888 -0.00133900 -0.00073717
0.01647446 -0.00539885 -0.00986892
13.36912050 -0.95967932 -4.02605553
0.00020666 0.00047299 0.00025346
0.00055932 -0.00340299 0.01188248
-17.47840102 -2.18394042 2.55445365
-0.00035661 0.00066367 -0.00026233
-0.03628362 -0.03062661 -0.00888869
-14.61476041 -2.55056785 3.22941086
-0.00038945 -0.00061482 -0.00139424
-0.01242239 -0.00418137 -0.00379919
-16.64437090 -0.71201081 20.14734917
-0.00054922 -0.00054158 -0.00043602
0.00373893 0.01952509 0.00601359
-15.39125002 -3.18354627 19.64356279
0.00057986 -0.00010464 0.00066244
0.02506497 -0.02326276 0.01304252
-0.47024479 0.42605711 -4.90259177
0.00048682 0.00037725 0.00027051
-0.01733345 -0.00481842 -0.00589867
-0.76285185 3.49707049 -4.96135948
-0.00064413 -0.00043584 0.00010163
0.00474678 -0.02654008 -0.00056682
23.49707580 -8.75740904 -9.10967235
-0.00023051 -0.00097579 -0.00015341
-0.00464233 0.00469527 -0.00284879
24.08429187 -5.91254944 -8.68384412
0.00003965 0.00078365 0.00050512
-0.01254006 -0.00172185 0.00372306
0.23739958 -6.19612098 5.66285273
-0.00007748 -0.00038740 0.00015733
-0.00612841 0.00080856 0.01079766
0.53907231 -6.11816564 8.58188998
0.00102391 -0.00119966 -0.00066665
-0.00501591 0.00605178 -0.00927062
-0.54662265 -2.85101335 -19.21157117
-0.00004317 0.00048702 -0.00113493
-0.02035663 0.02813379 -0.00081954
-3.00163714 -1.91175238 -20.60622234
-0.00025726 -0.00072265 -0.00025766
0.00556338 0.00165055 0.00876908
2.60940893 2.72350035 -10.77183655
0.00033678 0.00105510 0.00089656
-0.00206714 0.00875408 -0.01753299
2.12171520 2.40021335 -7.84257016
0.00000476 -0.00153643 -0.00011374
0.00954574 -0.01316833 -0.01591998
-2.34215002 16.82500555 12.38836773
0.00030102 0.00002163 -0.00023669
0.04686227 -0.03738237 -0.00430020
-3.53086794 18.81751182 13.82632857
-0.00049518 -0.00069411 0.00102762
-0.00875604 -0.00554977 -0.01607607
-5.19612716 6.30510583 -11.28451872
-0.00002804 -0.00148569 0.00093072
0.01170853 -0.02029904 -0.01065161
-3.94269935 3.68266126 -12.41093277
-0.00117359 0.00088532 0.00092302
-0.00154518 0.02006991 0.01286624
-7.62015431 2.02488958 -7.37319680
0.00034292 -0.00075019 0.00038300
-0.00825753 -0.00671592 -0.00243527
-6.15847777 3.36124248 -9.41312730
-0.00057002 -0.00032857 -0.00006888
-0.04077111 -0.00738011 0.00453040
2.86881646 28.16688005 7.07966509
0.00064516 -0.00004314 -0.00057861
-0.00429376 -0.00292816 0.00082845
0.89857046 28.44841818 9.23926981
0.00083161 0.00074482 -0.00040883
0.00965328 -0.00733890 -0.00751092
10.65648610 -7.45038652 -0.80154905
-0.00040797 0.00055562 -0.00030242
-0.00648023 0.00490491 -0.00354586
8.52724022 -7.14632136 -2.90112457
-0.00014819 -0.00012593 0.00043305
0.00418033 -0.00583864 0.00839611
-6.95906544 0.45767705 6.60663447
-0.00065986 -0.00067397 0.00085602
-0.01936725 0.00154042 -0.00731587
-9.63173596 -0.29846378 7.06418721
-0.00025241 0.00091859 0.00067648
-0.02613446 -0.02205600 0.02282918
21.66795459 10.35968159 10.02193862
-0.00029557 0.00080860 0.00096228
-0.00053885 0.00260516 0.00577069
20.88657424 12.56576969 8.31105539
-0.00099594 -0.00028467 0.00039446
-0.00802926 -0.01101483 0.00060319
-1.27760650 -3.47735311 -26.52440208
0.00134077 -0.00014262 0.00065216
0.00836028 -0.01644914 0.01456095
-3.91982374 -2.08419444 -26.78399861
-0.00015500 0.00028378 0.00047737
0.02516830 -0.00307885 -0.00108113
-13.84579384 7.22395820 9.21788609
0.00017646 0.00040307 0.00007682
-0.00074036 0.00017360 0.00008756
-15.52667603 7.19914380 6.88801413
-0.00010857 0.00060881 0.00083988
0.01150851 -0.00369279 0.00575452
-11.30421272 7.63359914 -2.81385732
-0.00028556 0.00085066 0.00093033
0.00416044 0.00063036 -0.00587771
-8.44365399 8.20647142 -3.52650889
-0.00014961 -0.00013411 0.00013668
-0.00032182 0.01483403 -0.01999026
-0.91575701 -17.03814031 23.07470890
0.00000978 0.00069148 -0.00060451
-0.02057354 0.00731887 0.00451396
-3.66171891 -15.54358387 23.86955307
0.00133206 0.00018460 -0.00094643
0.04068629 -0.00893161 -0.00741669
-2.23848223 6.28531795 -8.03403994
-0.00047407 0.00052684 0.00008284
-0.01846200 -0.00152359 0.01507222
-4.44113390 7.03197219 -5.98059365
-0.00093840 -0.00079887 0.00033516
0.02921009 -0.00525981 -0.00759724
-21.30191823 29.89275211 3.11832674
0.00008924 -0.00047931 0.00022387
-0.02160655 -0.00577114 -0.01598482
-21.08413304 31.12928243 5.67651604
0.00072145 -0.00077440 -0.00054709
-0.01840599 0.00863710 0.01499713
7.01968244 -0.25456292 6.01124280
-0.00028923 0.00108316 0.00042140
-0.00151230 0.01655498 0.00629284
7.61609641 2.08828802 7.98040736
-0.00058046 0.00036095 -0.00074133
-0.00855875 -0.01148091 -0.01158367
7.13161185 12.75738330 -13.97787603
-0.00005234 0.00011770 0.00121665
-0.00704782 -0.00614588 0.01624271
4.58575611 11.77466234 -14.79426767
0.00015044 0.00004671 -0.00043190
-0.05398464 0.00969933 -0.05789382
14.39003472 3.69735873 -2.92433454
-0.00032408 0.00011883 0.00072006
-0.00184270 0.00708391 0.00223322
14.94502146 1.10278131 -1.96338924
-0.00051846 -0.00056292 0.00000622
-0.00629676 -0.02563246 0.00493791
-2.64973848 13.03906251 -0.45806328
0.00007688 -0.00077418 -0.00005945
-0.00001575 -0.00523765 0.00929028
-5.50956926 12.99075075 0.58885627
-0.00067224 0.00030817 0.00018817
0.00236706 -0.00508870 0.00993727
3.63647330 11.03862632 3.39267923
-0.00046241 0.00132496 -0.00084133
-0.02796980 -0.03368133 0.00568020
6.41982721 11.71978774 2.94425036
-0.00069340 -0.00062646 -0.00015910
-0.01281170 0.00046388 0.00763123
25.24012766 -12.50689546 -8.30647791
0.00034410 0.00053955 -0.00046550
-0.00176266 -0.00417329 -0.00431375
26.53668413 -11.66825875 -10.87769619
0.00004356 -0.00031333 0.00060707
0.03085466 0.00185236 -0.02460235
14.90013055 -3.65421704 -0.21233345
0.00078938 0.00079659 0.00129723
-0.02050110 0.00612256 0.00654915
17.06859246 -5.43134954 -0.57969807
-0.00036898 -0.00052387 0.00027985
0.00818743 -0.02282975 -0.00340565
12.39589292 7.99504535 11.81763111
-0.00011174 -0.00054720 -0.00094980
-0.00902206 -0.00576479 0.00399915
13.47967071 9.74682170 9.82815251
0.00003595 0.00015223 -0.00018561
-0.00101683 0.00296638 -0.01304690
-0.12177187 -14.73416572 17.22295289
0.00008163 -0.00044089 0.00023000
0.01274082 0.02075394 0.00894204
1.50724776 -12.39169385 18.34854621
0.00018371 -0.00051268 0.00030641
-0.00707567 0.02159567 0.01311883
-3.92501799 -2.31660085 -13.28840034
-0.00040743 -0.00016396 0.00130708
0.00065407 0.00920769 -0.00121794
-3.35844867 -1.08665874 -15.87981136
-0.00025871 -0.00052382 0.00105469
0.01458723 -0.00659323 -0.01954055
14.63059781 -8.19450907 -10.50836816
0.00101636 0.00006334 0.00048449
-0.01846120 -0.01341361 -0.02473064
16.28329755 -6.34189980 -9.37565034
0.00020106 0.00098984 0.00088062
0.02658274 0.02751326 0.00543326
6.79318665 -6.04805203 8.75034876
-0.00077180 -0.00030859 -0.00086131
0.01796902 0.00551844 -0.00447892
9.60548340 -6.54840178 7.55569767
0.00091718 -0.00035563 -0.00001833
-0.00551620 0.01243206 -0.00183739
-21.82375219 2.01094637 20.98696087
-0.00032843 -0.00008324 0.00033789
0.01704498 0.00241737 0.03013613
-22.18989444 1.30262795 23.89350637
-0.00079758 0.00078647 -0.00005608
-0.00995344 -0.01521918 0.00329636
26.71641530 -2.95137826 -6.60180317
0.00015022 0.00011243 -0.00015555
-0.00191677 -0.00351808 -0.00046077
25.24538540 -1.49126553 -8.59508379
0.00020859 -0.00017833 -0.00038076
0.00100322 -0.01224767 0.00085449
9.56421699 -15.75421164 -7.62408086
0.00075892 -0.00028670 0.00008738
0.00561688 0.02052939 -0.01267043
9.21413029 -12.97381041 -6.81390184
0.00062085 -0.00033444 0.00001518
-0.00011264 0.00432302 -0.00761783
-5.99476401 -11.29555171 18.21984729
0.00027962 0.00014838 0.00092970
0.00154083 0.00080787 -0.00703480
-7.13946657 -11.44322893 15.48948000
0.00041447 -0.00010666 -0.00024811
0.00225228 0.00213922 0.00632759
8.45282367 1.43127297 -29.31744154
-0.00013260 -0.00091521 -0.00025472
-0.00785916 0.00972101 -0.00618944
6.17527287 3.34978879 -29.91699555
-0.00003725 -0.00083179 0.00038120
0.00850638 -0.01779165 -0.00851100
12.67515526 15.41795547 14.71235002
-0.00009847 -0.00070482 0.00020147
0.00570001 -0.01144662 -0.01840120
11.18144646 15.82288000 17.05363880
0.00025419 0.00022377 0.00054183
0.00138235 0.01500089 0.04991360
29.25135967 4.80387158 -4.49973092
-0.00010772 0.00006980 -0.00034609
0.00582413 0.01102945 0.00928820
26.95300501 6.41572324 -3.95172630
0.00046517 0.00034239 0.00017215
0.00058802 0.01110891 0.00991355
-9.94190761 4.85876197 6.65762904
-0.00000952 0.00007751 -0.00024014
-0.00209663 0.01250639 0.00093959
-8.74009289 13.32929428 2.59524261
-0.00009131 0.00006330 -0.00000252
-0.00470580 -0.00103795 0.00081591
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09626884
0.32060618
427.19166020
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4256284658 (a.u.)
total exchange computation time: 2.8431918621 s
-154.5036653628
-931.42079440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4248604434 (a.u.)
total exchange computation time: 2.8428528309 s
-154.5108063444
Anderson extrapolation: theta=1.3430687520 (1.3430687520)
-931.42100679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4237145922 (a.u.)
total exchange computation time: 2.8438880444 s
-154.5213352668
Anderson extrapolation: theta=0.0523230759 (0.0523230759)
-931.42113298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4235658852 (a.u.)
total exchange computation time: 2.8460199833 s
-154.5226519759
Anderson extrapolation: theta=1.9081383950 (1.9081383950)
-931.42113758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4232564965 (a.u.)
total exchange computation time: 2.8456439972 s
-154.5253393089
Anderson extrapolation: theta=0.2240979047 (0.2240979047)
-931.42114218
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4231806535 (a.u.)
total exchange computation time: 2.8456220627 s
-154.5259532338
Anderson extrapolation: theta=1.8338558345 (1.8338558345)
-931.42114303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4230638847 (a.u.)
total exchange computation time: 2.8455700874 s
-154.5268514388
Anderson extrapolation: theta=0.2864876222 (0.2864876222)
-931.42114399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4230536397 (a.u.)
total exchange computation time: 2.8485379219 s
-154.5268842161
Anderson extrapolation: theta=1.2969404404 (1.2969404404)
-931.42114424
-116.372248 67.670654 142.120476
559.574934 1031.455149 -410.639149
443.202687 1099.125803 -268.518673
1215.157780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4230582961 (a.u.)
total exchange computation time: 2.8453869820 s
679.73310448
-1085.28861383
89.72642903
-388.16489696
-175.00410887
79.14447209
551.60419304
0.00000000
-931.42114444
4.02223638 -31.02879667 -2.24622751
0.00020826 -0.00055423 0.00011926
0.00144146 -0.00271742 -0.00284089
-11.49539223 -1.69272975 -9.27062776
0.00015993 0.00044476 -0.00001537
-0.00256602 0.01255309 0.00397836
-37.49345497 2.43617331 0.18107048
-0.00004993 -0.00017471 0.00023763
-0.02080419 -0.00001997 0.00083472
-11.71535012 -4.16971679 3.91000257
-0.00007542 -0.00006359 0.00018675
-0.00637560 0.00485426 0.00315415
4.20196211 -3.98295656 9.12139678
-0.00023160 -0.00016980 -0.00031503
-0.00559834 -0.02777060 0.00178101
-32.27035922 -0.36924375 -0.29698871
-0.00052117 0.00020907 0.00033832
0.00641387 -0.05114203 -0.03070464
14.41442495 12.54314435 -13.71806159
-0.00040985 -0.00012106 0.00008509
0.02105056 0.00062774 -0.03091249
-7.71847514 6.06519469 2.64432646
-0.00004594 0.00011137 0.00027885
-0.00455366 -0.01516316 -0.04319631
7.48822279 12.44528385 -5.93461869
-0.00033056 -0.00038833 -0.00019681
0.02089721 0.00722390 0.01437206
8.82495653 9.91619184 -18.96569594
-0.00006789 0.00007752 -0.00005755
0.00478134 -0.00087547 -0.01842334
23.23900003 17.32883701 -2.22039085
-0.00028788 -0.00006543 -0.00010138
0.00898863 -0.00651806 -0.00192118
2.13812286 16.83127622 -19.59906880
-0.00023329 -0.00000174 -0.00013333
0.01184899 -0.00663269 -0.03237325
14.01901911 -1.10145180 -5.70974693
-0.00010356 0.00028454 -0.00025863
-0.01283493 0.00140062 0.00570811
-16.06842037 -1.39089989 3.22437003
0.00005816 0.00018143 0.00012564
0.04227010 0.01376310 0.01660479
-16.48719471 -2.02372937 18.90089154
0.00052575 -0.00024141 -0.00029062
-0.02044614 0.00110303 -0.01399463
0.42495367 2.03296409 -4.87218290
0.00013298 0.00006525 0.00022261
0.00822349 0.04198289 0.00456978
22.67866929 -7.11587439 -8.83365530
0.00022078 0.00008899 0.00007137
0.01250908 -0.00686664 -0.00245051
-0.73280441 -6.32048950 7.25123135
-0.00019999 0.00007437 0.00004957
0.01461501 -0.00797350 0.00021239
-1.74281700 -1.36141945 -19.33531357
0.00012603 0.00004941 0.00009820
0.00322404 -0.03358815 -0.00821788
3.21508162 1.85529755 -9.31309883
-0.00009658 -0.00031157 0.00004517
-0.00722306 -0.00001042 0.03795028
-3.82903771 17.74251394 12.30358860
0.00014929 -0.00016048 -0.00005055
-0.02325926 0.05396116 0.01671802
-3.84421111 5.00911567 -11.08954510
-0.00001737 0.00011867 -0.00020258
0.00014466 0.00393219 -0.00876175
-7.96782077 2.85855279 -8.96590428
0.00018332 -0.00020142 0.00001452
0.04222235 0.01244672 0.00241575
2.35798883 27.45963946 8.69006136
0.00016510 0.00003764 0.00036346
-0.00945142 0.00659079 0.00130520
9.68992744 -6.23735205 -1.81209211
-0.00026327 -0.00010411 0.00013569
-0.00099683 0.00605988 -0.00241136
-8.74456212 0.80791452 6.02169177
0.00010118 0.00007440 0.00002018
0.04371711 0.00944719 -0.01017720
20.36550848 10.83045418 8.82886626
0.00013528 0.00017339 -0.00022174
0.00842460 0.00710336 -0.00497735
-2.12933154 -2.14044216 -27.37825221
0.00032678 0.00002962 -0.00041309
-0.04064006 0.00981175 -0.00702560
-14.31097828 6.16015483 7.80877519
0.00011691 -0.00011782 0.00027843
-0.00180187 0.00351411 -0.00434037
-9.55473059 7.30055041 -2.42607666
0.00001109 -0.00008553 0.00038908
-0.02720361 -0.02582316 0.03514516
-1.79846971 -15.41149298 23.46418626
-0.00014079 0.00034305 -0.00032197
-0.00934055 -0.00017252 0.00222432
-2.69052289 6.32637121 -6.22201061
0.00001360 0.00000208 0.00017996
-0.01481559 0.00371120 -0.00567587
-20.15797750 30.76768272 4.19289327
-0.00040249 -0.00070330 -0.00008200
0.03462790 -0.00286361 0.00358414
7.64022824 0.26220140 7.69208279
0.00013342 0.00018885 -0.00033727
0.00877863 0.00495652 0.01607702
5.72284176 11.54258526 -13.54852320
0.00014316 -0.00009261 0.00033976
0.04655776 -0.02383819 0.03568007
15.52524385 2.76592582 -1.84104013
0.00005639 -0.00003711 0.00021712
0.01598534 0.02881273 0.00235429
-4.39709574 13.33955908 -0.81680965
-0.00010570 -0.00034598 0.00017224
0.00182123 0.00481372 -0.02478634
4.66881975 12.41033864 2.93139649
0.00024585 0.00002836 -0.00048145
0.03722400 0.05074613 -0.01968058
25.06648485 -11.57834540 -9.88413491
0.00012730 0.00019014 -0.00023229
-0.04239015 -0.00353477 0.03914014
16.63721974 -3.68160284 -0.62381349
0.00027949 0.00031290 -0.00027053
0.01969471 0.01535174 -0.00408519
13.09663385 7.97660244 10.12951849
0.00029424 0.00002322 0.00033467
0.01570045 -0.00769340 -0.00758418
1.59155440 -14.01080197 17.62645726
0.00006282 -0.00008109 -0.00011596
0.00342213 -0.03681244 -0.02261808
-3.96383721 -0.72189245 -14.23332638
0.00055208 0.00003898 -0.00005030
-0.01799678 0.00049318 0.03056543
15.07273277 -7.59688654 -8.88903705
-0.00022181 0.00021793 0.00001333
-0.01171477 -0.02078459 0.02831394
8.41536674 -7.01201087 8.85628419
-0.00018009 -0.00020196 0.00025215
0.00381250 0.00781533 -0.00227316
-21.15703066 2.28478205 22.76994464
0.00020296 0.00004072 0.00009804
-0.00272854 0.01437235 -0.03781367
25.68503183 -3.25546084 -8.09585312
-0.00003134 0.00012392 -0.00023985
0.00866112 0.02623622 0.00395690
9.87408769 -13.97646082 -8.21293803
0.00007491 0.00025951 -0.00044021
-0.00795445 -0.03146910 0.01974491
-6.72481372 -12.45039220 16.97149768
-0.00013736 -0.00001120 -0.00002106
0.01843289 0.01698752 -0.00231641
7.92492578 3.19652921 -29.34790055
-0.00049664 -0.00023987 0.00004318
0.00538986 -0.00313492 0.00583307
10.92297702 15.43382165 15.37031781
0.00031369 0.00027407 -0.00004737
-0.00695105 0.00956612 -0.02930540
28.68919649 6.18481073 -3.35093762
0.00007387 0.00021783 -0.00027456
-0.00192056 -0.01435522 -0.01208694
5.41741658 -31.44970709 -3.41770658
-0.00049562 -0.00061947 -0.00026045
-0.00527823 -0.00098971 0.00913186
4.48059858 -31.33233037 -0.46820776
0.00052709 0.00063860 -0.00010004
-0.00068143 -0.00523044 -0.00666436
-11.81332179 -3.40855354 -8.81773375
-0.00073536 0.00003829 -0.00058679
-0.00471657 -0.01724137 -0.00030758
-12.50490828 -1.28165982 -10.71598760
-0.00007708 0.00063660 -0.00056008
-0.00447794 0.00054031 -0.00707390
-39.07418864 1.95747486 1.06142445
0.00014613 0.00004044 0.00050336
0.01981777 0.01044691 -0.00930900
-37.94502469 3.86684854 -0.92701210
-0.00020124 0.00057595 -0.00061085
0.00252536 -0.00401752 0.00557516
-10.58871196 -5.56687697 3.48772578
0.00016879 -0.00103741 -0.00062882
0.00089977 -0.00434778 -0.00290733
-10.72671189 -2.66687311 3.68044174
-0.00014389 0.00064746 0.00028040
0.00839947 0.00415832 0.00319808
4.66897563 -2.43497625 8.39141664
-0.00070603 0.00084337 -0.00023612
0.00943766 0.02642229 -0.01650166
4.31646670 -3.62576474 10.90551319
-0.00127874 -0.00030477 -0.00016454
-0.00087349 -0.00405712 0.01115843
-33.64077558 -1.57615152 -0.36270612
-0.00082522 0.00070546 0.00104780
-0.00048207 0.00425808 0.00036389
-32.74008507 0.83492991 0.87100289
-0.00054482 0.00046094 -0.00015155
-0.01560320 0.03696140 0.02914540
14.15562438 12.64884620 -15.63644712
-0.00115231 0.00020882 0.00168539
0.00486064 -0.00008873 0.03596248
16.25002571 12.23497419 -13.50094704
0.00100161 0.00057094 0.00003424
-0.01565222 0.00241666 -0.00819074
-8.68099053 7.30750460 1.62706251
0.00032661 0.00042749 -0.00002484
0.01136099 -0.00893939 0.01107883
-7.40535070 4.78070329 1.21945189
0.00021644 -0.00011805 -0.00105562
-0.00386173 0.01953536 0.02953341
6.10597294 12.33779262 -7.05464742
-0.00013397 0.00015639 -0.00076191
-0.01332353 0.00061749 -0.01905886
8.86994372 13.63057806 -6.68898286
0.00039847 -0.00003493 -0.00008212
-0.01328929 -0.01357773 0.00480229
8.48586345 8.78287717 -20.36508003
-0.00021971 -0.00089560 0.00002698
-0.00067364 -0.00333649 0.00448219
10.00608904 11.13258405 -19.71752776
0.00095822 0.00012651 0.00016432
0.00701600 -0.00469529 0.01042592
23.90187014 15.64116012 -2.66878009
0.00063285 0.00108983 -0.00016170
-0.00081635 0.00125318 -0.00080403
24.80972204 18.29275530 -2.34576329
-0.00050501 0.00050275 -0.00076539
-0.00443032 0.00761851 -0.00848907
1.76665949 16.85464799 -21.52567822
0.00066910 0.00016377 0.00031590
-0.00321490 0.00187824 0.03839581
3.49727426 15.52319842 -19.47318822
0.00090302 0.00021027 -0.00082330
-0.01749810 0.00768834 0.00717390
12.44345095 -0.91696940 -6.68910056
0.00023353 -0.00135970 -0.00077676
0.01517034 -0.00473666 -0.00950754
13.37223756 -0.95268869 -4.02188946
0.00020955 0.00045852 0.00029423
0.00085256 -0.00368344 0.00807165
-17.48486194 -2.17492393 2.55024626
-0.00049979 0.00054310 -0.00029622
-0.03380718 -0.02839344 -0.00769824
-14.62098276 -2.55991822 3.20838088
-0.00044056 -0.00062946 -0.00140763
-0.01259683 -0.00298813 -0.00275450
-16.65249463 -0.71953623 20.14099313
-0.00053448 -0.00045920 -0.00040938
0.00347639 0.02079915 0.00702624
-15.38178404 -3.18582867 19.65389903
0.00067725 -0.00019457 0.00071245
0.02260942 -0.02075804 0.01143670
-0.46347363 0.43156817 -4.89871491
0.00041365 0.00035183 0.00024621
-0.01848643 -0.00762520 -0.00599557
-0.77236839 3.48971961 -4.95985247
-0.00062300 -0.00054372 0.00009899
0.00559560 -0.02626812 -0.00072278
23.49347593 -8.77190205 -9.11206083
-0.00025150 -0.00094527 -0.00016329
-0.00563252 0.01024537 -0.00198475
24.08450237 -5.90084746 -8.67615318
-0.00001351 0.00077156 0.00051941
-0.01348217 -0.00419495 0.00327108
0.23604956 -6.20190726 5.66554356
-0.00010346 -0.00038383 0.00019928
-0.00658810 0.00093990 0.00973622
0.55427722 -6.13597510 8.57160616
0.00100046 -0.00117466 -0.00070456
-0.00646254 0.00618508 -0.00928454
-0.54789398 -2.84284588 -19.22862026
-0.00012142 0.00059736 -0.00113576
-0.01794546 0.02587617 0.00041199
-3.00532551 -1.92254150 -20.60981854
-0.00022945 -0.00071182 -0.00021587
0.00804748 0.00365013 0.01168665
2.61439732 2.73959517 -10.75892542
0.00032756 0.00109185 0.00082266
-0.00244893 0.00923519 -0.01863907
2.12207904 2.37676339 -7.84476411
0.00004052 -0.00158701 -0.00017395
0.00795934 -0.01159105 -0.01355313
-2.33619870 16.82418451 12.38468556
0.00049086 -0.00012940 -0.00025403
0.04606421 -0.03654973 -0.00418521
-3.53856394 18.80693009 13.84125026
-0.00053002 -0.00071928 0.00095757
-0.00830023 -0.00677225 -0.01821335
-5.19618891 6.28219843 -11.27088428
0.00000909 -0.00155623 0.00088613
0.00646623 -0.01423126 -0.01117461
-3.96035054 3.69655603 -12.39669320
-0.00117917 0.00095415 0.00096339
-0.00118585 0.01362313 0.00689274
-7.61526347 2.01343093 -7.36752642
0.00030757 -0.00077383 0.00036549
-0.00904793 -0.00485571 -0.00613783
-6.16827745 3.35608782 -9.41402162
-0.00072921 -0.00035724 -0.00005126
-0.03715475 -0.00665561 0.00409533
2.87836228 28.16614329 7.07101126
0.00062397 -0.00006089 -0.00056301
-0.00607776 -0.00576231 0.00680883
0.91134046 28.45936561 9.23290717
0.00086589 0.00071759 -0.00043694
0.00712355 -0.00599030 -0.00624661
10.65016804 -7.44190193 -0.80619396
-0.00042873 0.00056848 -0.00031071
-0.00368150 0.00139188 -0.00051368
8.52514544 -7.14838927 -2.89437146
-0.00013365 -0.00015147 0.00046491
0.00293916 -0.00666170 0.00719598
-6.96955678 0.44761474 6.61925054
-0.00073328 -0.00066669 0.00082556
-0.01657181 0.00202065 -0.00759400
-9.63632289 -0.28536075 7.07503401
-0.00035989 0.00083039 0.00076810
-0.02647789 -0.02111968 0.02201814
21.66350459 10.37189036 10.03654965
-0.00030119 0.00082038 0.00098201
-0.00221199 0.00316103 0.00388589
20.87138903 12.56116206 8.31699083
-0.00102473 -0.00031978 0.00039364
-0.00606072 -0.00617087 -0.00100523
-1.25723883 -3.47999647 -26.51417353
0.00136552 -0.00019655 0.00070335
0.00375678 -0.00995077 0.01049845
-3.92137755 -2.08003215 -26.77687124
-0.00004359 0.00027023 0.00047024
0.02937030 -0.00355397 -0.00240554
-13.84316964 7.23000951 9.21904101
0.00017390 0.00040137 0.00007632
-0.00051453 -0.00100140 -0.00033061
-15.52795195 7.20816275 6.90078870
-0.00005948 0.00059084 0.00086380
0.01252196 -0.00510404 0.00595272
-11.30836865 7.64637842 -2.80008248
-0.00026353 0.00085188 0.00090749
0.00662266 -0.00003560 -0.00530108
-8.44590807 8.20491431 -3.52507118
-0.00015116 -0.00007365 0.00005545
-0.00043346 0.01476342 -0.01977325
-0.91624076 -17.02754390 23.06577965
-0.00007318 0.00071994 -0.00058647
-0.02003759 0.00661626 0.00431211
-3.64049122 -15.54108850 23.85512936
0.00147935 0.00014702 -0.00097252
0.03141394 -0.00946695 -0.00535539
-2.24615898 6.29317380 -8.03233548
-0.00054832 0.00051996 0.00014372
-0.01788713 -0.00184428 0.01472896
-4.45431484 7.01982797 -5.97579905
-0.00081288 -0.00082177 0.00030376
0.03223119 -0.00594871 -0.00777360
-21.30124177 29.88538568 3.12119491
-0.00000445 -0.00050690 0.00015409
-0.02425257 -0.00773520 -0.01817239
-21.07387527 31.11793107 5.66876924
0.00063715 -0.00073596 -0.00047179
-0.02285954 0.01018265 0.02186259
7.01529769 -0.23780822 6.01775668
-0.00029784 0.00114531 0.00043751
-0.00270544 0.01386958 0.00159072
7.60712732 2.09335043 7.96893250
-0.00061453 0.00031282 -0.00078688
-0.00812235 -0.01207942 -0.01071671
7.13061080 12.75896051 -13.95912859
-0.00007874 0.00009420 0.00128110
-0.00587384 -0.00536112 0.01530781
4.58635846 11.77566018 -14.80252027
-0.00005747 0.00008421 -0.00065595
-0.04778784 0.00865790 -0.05177835
14.38511710 3.69935822 -2.91346521
-0.00033157 0.00014775 0.00072900
-0.00182583 0.00707239 0.00214528
14.93705155 1.09355209 -1.96314462
-0.00053965 -0.00065418 0.00002784
-0.00407286 -0.01903906 0.00564664
-2.64858578 13.02728926 -0.45867040
0.00007313 -0.00079502 -0.00002143
-0.00182017 -0.00496394 0.00932146
-5.51958028 12.99521731 0.59198332
-0.00065991 0.00028741 0.00022678
0.00366671 -0.00507167 0.00896454
3.62868003 11.05746864 3.38023333
-0.00058308 0.00117973 -0.00081554
-0.03109720 -0.03741291 0.00694272
6.40903363 11.71040502 2.94209773
-0.00073726 -0.00062723 -0.00012816
-0.00865633 -0.00084155 0.00751433
25.24523508 -12.49893006 -8.31359261
0.00033615 0.00051978 -0.00047785
-0.00212854 -0.00550605 -0.00173205
26.53828298 -11.67290191 -10.86934398
0.00017555 -0.00030551 0.00050117
0.03375805 0.00197343 -0.02723985
14.91134302 -3.64208061 -0.19267430
0.00070380 0.00082236 0.00132486
-0.02139171 0.00649286 0.00697738
17.06330863 -5.43990718 -0.57560466
-0.00033761 -0.00060599 0.00026528
0.00717005 -0.01736739 -0.00372498
12.39394035 7.98666071 11.80350671
-0.00015375 -0.00056932 -0.00091933
-0.01154139 -0.00506565 0.01091321
13.48017884 9.74919598 9.82496858
0.00003122 0.00016197 -0.00023722
-0.00129884 0.00180476 -0.01221862
-0.12015702 -14.74014315 17.22667695
0.00013393 -0.00035550 0.00026657
0.01285953 0.02104412 0.00895509
1.50978661 -12.39872230 18.35354434
0.00015430 -0.00042141 0.00036165
-0.00732013 0.02308365 0.01392391
-3.93110937 -2.31877813 -13.26883140
-0.00040406 -0.00011659 0.00129527
0.00099669 0.01398016 -0.00456635
-3.36188225 -1.09471803 -15.86458974
-0.00019240 -0.00055567 0.00095695
0.01786863 -0.00899951 -0.02830568
14.64527750 -8.19397002 -10.50185863
0.00093894 0.00000541 0.00037348
-0.01943754 -0.01494410 -0.02961147
16.28712802 -6.32620909 -9.36227459
0.00030348 0.00109513 0.00090390
0.02355099 0.02402398 0.00596162
6.78216022 -6.05251171 8.73729188
-0.00069321 -0.00028776 -0.00087873
0.02050124 0.00467796 -0.00404916
9.61907204 -6.55335522 7.55536635
0.00088507 -0.00030825 -0.00001648
-0.01020186 0.01075702 0.00274571
-21.82815634 2.00977189 20.99295264
-0.00025802 -0.00007268 0.00045967
0.01742135 0.00274964 0.02947539
-22.20216317 1.31395866 23.89276620
-0.00083671 0.00072510 -0.00004236
-0.00920188 -0.01482327 0.00341812
26.71860986 -2.94979955 -6.60415049
0.00014118 0.00009753 -0.00015943
-0.00250961 -0.00377903 -0.00144099
25.24854506 -1.49431581 -8.60076898
0.00021154 -0.00022475 -0.00037825
0.00043674 -0.01047679 0.00037145
9.57577287 -15.75788300 -7.62315841
0.00078225 -0.00019692 0.00003299
0.00580394 0.02341665 -0.01395254
9.22343959 -12.97869449 -6.81390759
0.00061913 -0.00031480 -0.00001426
-0.00072987 0.00529040 -0.00679114
-5.99052246 -11.29330132 18.23357723
0.00028087 0.00014453 0.00089180
-0.00093066 -0.00269016 -0.01151959
-7.13318048 -11.44476320 15.48595230
0.00042382 -0.00009721 -0.00022174
0.00232337 0.00248237 0.00657751
8.45059382 1.41784264 -29.32145202
-0.00016692 -0.00086537 -0.00027971
-0.00893877 0.01468021 -0.00604055
6.17497472 3.33676678 -29.91153838
-0.00001082 -0.00090280 0.00034374
0.00443571 -0.01696735 -0.00982473
12.67385287 15.40703241 14.71480818
-0.00007008 -0.00075115 0.00012446
0.00819936 -0.01123149 -0.01929346
11.18530169 15.82669621 17.06329574
0.00025809 0.00028216 0.00073311
0.00052756 0.01358310 0.04372144
29.24992227 4.80525655 -4.50463761
-0.00008410 0.00011544 -0.00030785
0.00574027 0.01131060 0.00943191
26.96000062 6.42119950 -3.94884034
0.00046079 0.00038857 0.00021006
-0.00273383 0.01149650 0.00864388
-9.94205597 4.85995819 6.65402944
-0.00001025 0.00008201 -0.00023981
-0.00200963 0.01262588 0.00089975
-8.74147072 13.33024203 2.59520621
-0.00009242 0.00006308 -0.00000235
-0.00483182 -0.00088079 0.00063429
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09629530
0.32484913
432.84518568
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4203259322 (a.u.)
total exchange computation time: 2.8290100098 s
-154.4884747500
-931.42489605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4196266398 (a.u.)
total exchange computation time: 2.8235759735 s
-154.4949547767
Anderson extrapolation: theta=1.3602901659 (1.3602901659)
-931.42510800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4185487915 (a.u.)
total exchange computation time: 2.8220119476 s
-154.5047552075
Anderson extrapolation: theta=0.0594611747 (0.0594611747)
-931.42523750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4183859777 (a.u.)
total exchange computation time: 2.8257029057 s
-154.5061366893
Anderson extrapolation: theta=2.0810992200 (2.0000000000)
-931.42524335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4180308962 (a.u.)
total exchange computation time: 2.8276729584 s
-154.5090661041
Anderson extrapolation: theta=0.2853853632 (0.2853853632)
-931.42525019
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4179241403 (a.u.)
total exchange computation time: 2.8254389763 s
-154.5098711148
Anderson extrapolation: theta=1.5448393352 (1.5448393352)
-931.42525172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4177838369 (a.u.)
total exchange computation time: 2.8269629478 s
-154.5108487848
Anderson extrapolation: theta=0.3580057898 (0.3580057898)
-931.42525328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4177602767 (a.u.)
total exchange computation time: 2.8228120804 s
-154.5109340550
Anderson extrapolation: theta=1.1384034878 (1.1384034878)
-931.42525373
-116.330045 67.689443 97.800812
559.572935 1031.449128 -410.604431
443.242890 1099.138571 -312.803619
1225.730787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4177546584 (a.u.)
total exchange computation time: 2.8282399178 s
679.63555333
-1085.09317025
89.73895682
-388.29977508
-174.98906419
79.03809925
551.60419304
0.00000000
-931.42525403
4.02536589 -31.03712058 -2.24444953
0.00020835 -0.00055526 0.00011753
-0.00110817 -0.00128526 -0.00388543
-11.49300317 -1.68600998 -9.27084289
0.00015763 0.00045055 -0.00001419
-0.00638795 0.00998334 0.00059412
-37.49428409 2.43355252 0.18463812
-0.00006074 -0.00017326 0.00023687
-0.02124639 0.00565668 -0.00378387
-11.71650594 -4.17065192 3.91281598
-0.00007726 -0.00006161 0.00018781
-0.00078646 0.00283520 0.00098620
4.19846657 -3.98561067 9.11667815
-0.00023400 -0.00018251 -0.00031481
-0.00374532 -0.02166740 -0.00089378
-32.27815210 -0.36630497 -0.29203237
-0.00051774 0.00018286 0.00032262
0.00694724 -0.05077537 -0.03034025
14.40835839 12.54133091 -13.71690448
-0.00039697 -0.00012105 0.00007144
0.02905631 -0.00061714 -0.02214840
-7.71918183 6.06680674 2.64834255
-0.00004818 0.00010293 0.00025543
-0.00415829 -0.01763815 -0.04784915
7.48334493 12.43948678 -5.93751533
-0.00031965 -0.00038416 -0.00018999
0.02153505 0.00897791 0.01214402
8.82395656 9.91735124 -18.96663032
-0.00006509 0.00007694 -0.00006796
0.00613943 -0.00137365 -0.02205817
23.23471655 17.32783037 -2.22191894
-0.00028312 -0.00006754 -0.00010236
0.00948924 -0.00167011 -0.00189394
2.13466924 16.83122452 -19.60119357
-0.00022614 -0.00000584 -0.00014948
0.01595195 -0.00930886 -0.03044134
14.01741620 -1.09717832 -5.71360434
-0.00010986 0.00028522 -0.00025474
-0.01167382 0.00124628 0.00941972
-16.06738487 -1.38812537 3.22631874
0.00007882 0.00018748 0.00013347
0.03805513 0.00978110 0.01382069
-16.47938732 -2.02734630 18.89647827
0.00051607 -0.00024187 -0.00029741
-0.01719559 -0.00289696 -0.01241829
0.42698016 2.03410474 -4.86882611
0.00013731 0.00008722 0.00022497
0.00859297 0.04344632 0.00459604
22.68202929 -7.11456604 -8.83259413
0.00022759 0.00008475 0.00007000
0.01397102 -0.00962114 -0.00288836
-0.73574791 -6.31940478 7.25197575
-0.00019208 0.00007026 0.00004998
0.01616214 -0.00799631 0.00137586
-1.74091410 -1.36080783 -19.33387234
0.00012633 0.00003244 0.00009297
-0.00204233 -0.03239643 -0.01211579
3.21360509 1.85062392 -9.31227488
-0.00009981 -0.00031194 0.00006400
-0.00534614 -0.00142178 0.03526789
-3.82688801 17.74031482 12.30289479
0.00013791 -0.00013302 -0.00004145
-0.02103003 0.05283304 0.01866322
-3.84447113 5.01091095 -11.09261761
-0.00001580 0.00012095 -0.00020533
0.00595938 0.00492169 -0.00192170
-7.96490817 2.85557955 -8.96567714
0.00020398 -0.00019579 0.00001686
0.03815242 0.00943952 0.00669674
2.36042892 27.46022950 8.69551823
0.00016137 0.00004130 0.00036237
-0.00505666 0.00763065 -0.00552351
9.68597455 -6.23889035 -1.81006605
-0.00026425 -0.00009985 0.00013389
-0.00282288 0.01050723 -0.00460667
-8.74287576 0.80906698 6.02195515
0.00012273 0.00007865 0.00001543
0.04009274 0.00706920 -0.00827840
20.36757014 10.83308246 8.82552097
0.00013954 0.00017550 -0.00022337
0.00813472 0.00108729 -0.00134446
-2.12458657 -2.13996005 -27.38447561
0.00030615 0.00003304 -0.00041534
-0.03958007 0.00350467 -0.00172789
-14.30923164 6.15840114 7.81293486
0.00011573 -0.00011538 0.00027630
-0.00277202 0.00594418 -0.00395129
-9.55466912 7.29916790 -2.42010485
-0.00000329 -0.00009847 0.00040675
-0.02872757 -0.02451724 0.03356148
-1.80061765 -15.40634784 23.45936534
-0.00014298 0.00034334 -0.00032142
0.00084672 0.00128534 -0.00010166
-2.69037610 6.32641669 -6.21933309
0.00000519 0.00000415 0.00017726
-0.01788100 0.00435915 -0.00481101
-20.16388134 30.75712213 4.19167715
-0.00038299 -0.00070459 -0.00008131
0.04119722 -0.00213643 -0.00092908
7.64226341 0.26505326 7.68708582
0.00013826 0.00019215 -0.00032793
0.01002193 0.00788246 0.02021432
5.72516876 11.54110419 -13.54328911
0.00016468 -0.00010486 0.00035605
0.03713559 -0.02381012 0.02765803
15.52615131 2.76548032 -1.83777426
0.00006396 -0.00002402 0.00021818
0.01345097 0.02207123 0.00177168
-4.39867415 13.33438792 -0.81432171
-0.00010470 -0.00034360 0.00015980
0.00206201 0.00443268 -0.02359009
4.67265106 12.41095972 2.92409876
0.00026436 0.00005529 -0.00049161
0.03474889 0.05399644 -0.01979972
25.06823079 -11.57550694 -9.88746828
0.00010507 0.00018858 -0.00021236
-0.04402759 -0.00251272 0.03836576
16.64148811 -3.67685008 -0.62788713
0.00028987 0.00031918 -0.00027258
0.02067691 0.00904000 -0.00391809
13.10110804 7.97692108 10.13450921
0.00030310 0.00001942 0.00032878
0.01874996 -0.00710707 -0.01531943
1.59250992 -14.01216026 17.62463068
0.00006471 -0.00010008 -0.00012762
0.00390844 -0.03706240 -0.02274116
-3.95562540 -0.72130591 -14.23396297
0.00054193 0.00003869 -0.00003164
-0.02148845 -0.00161297 0.04201191
15.06936049 -7.59369769 -8.88872794
-0.00022666 0.00020851 0.00002862
-0.00714902 -0.01587914 0.03117592
8.41268016 -7.01501012 8.86005765
-0.00017757 -0.00019718 0.00024985
0.00596109 0.01077163 -0.00665889
-21.15399682 2.28544823 22.77126944
0.00020123 0.00004783 0.00007908
-0.00400177 0.01330399 -0.03594103
25.68459509 -3.25350087 -8.09943557
-0.00002661 0.00013691 -0.00023742
0.00973054 0.02426844 0.00548389
9.87518067 -13.97268961 -8.21946495
0.00007088 0.00024247 -0.00042999
-0.00772529 -0.03477635 0.01998411
-6.72680309 -12.45049460 16.97117284
-0.00012736 -0.00000179 -0.00002117
0.02045862 0.01956762 0.00189975
7.91749692 3.19291900 -29.34723035
-0.00049253 -0.00024273 0.00004651
0.01061071 -0.00798125 0.00709691
10.92765550 15.43796968 15.36949416
0.00030947 0.00027927 -0.00006020
-0.00946297 0.01064559 -0.02059076
28.69029720 6.18802276 -3.35510259
0.00007377 0.00021026 -0.00028038
0.00151643 -0.01505129 -0.01056813
5.40982058 -31.45902953 -3.42133345
-0.00051352 -0.00062432 -0.00022485
-0.00348752 -0.00138071 0.00829212
4.48848412 -31.32291165 -0.46991257
0.00052582 0.00061569 -0.00012397
0.00005867 -0.00598328 -0.00505106
-11.82449674 -3.40850752 -8.82654507
-0.00075269 -0.00002578 -0.00058931
-0.00376376 -0.01412324 -0.00092597
-12.50620176 -1.27209433 -10.72460554
-0.00008975 0.00063764 -0.00058132
-0.00172338 -0.00002760 -0.00332445
-39.07138945 1.95840166 1.06868964
0.00022529 0.00008282 0.00046563
0.01893421 0.01029740 -0.00916244
-37.94796587 3.87536464 -0.93600398
-0.00018795 0.00054892 -0.00057963
0.00398128 -0.00921029 0.00970478
-10.58615250 -5.58257135 3.47820432
0.00016487 -0.00104284 -0.00063742
-0.00281798 0.00168848 -0.00130181
-10.72861283 -2.65703377 3.68474579
-0.00011351 0.00065596 0.00029446
0.00647201 0.00000068 0.00368118
4.65867439 -2.42151608 8.38736916
-0.00067127 0.00093831 -0.00029693
0.00757912 0.02005087 -0.01326357
4.29725890 -3.63046061 10.90338709
-0.00128166 -0.00032152 -0.00012061
-0.00055684 -0.00414134 0.01034128
-33.65316860 -1.56543913 -0.34697797
-0.00082828 0.00072078 0.00104822
-0.00101817 0.00323939 -0.00015695
-32.74873553 0.84297661 0.86962273
-0.00060800 0.00061353 -0.00003231
-0.01532314 0.03773494 0.02922164
14.13848864 12.65197575 -15.61006425
-0.00113264 0.00020870 0.00181704
0.00477113 0.00003014 0.02848176
16.26457022 12.24361234 -13.50068444
0.00092184 0.00058259 -0.00000182
-0.02339412 0.00328544 -0.00945947
-8.67574318 7.31364298 1.62702947
0.00037358 0.00038969 0.00002184
0.01162937 -0.00956465 0.01176888
-7.40222237 4.77953122 1.20452253
0.00019910 -0.00003227 -0.00092676
-0.00462881 0.02245294 0.03354757
6.10355514 12.34015739 -7.06666010
-0.00018507 0.00015932 -0.00083716
-0.01169229 0.00081462 -0.01777812
8.87551357 13.62963806 -6.69006756
0.00034114 -0.00009270 -0.00006047
-0.01477384 -0.01469923 0.00579897
8.48254723 8.76934087 -20.36453792
-0.00021964 -0.00090248 0.00005125
0.00070397 -0.00002979 0.00739461
10.02067740 11.13433789 -19.71474350
0.00098089 0.00010136 0.00020860
0.00407699 -0.00761591 0.01124784
23.91133782 15.65754599 -2.67123025
0.00063076 0.00108479 -0.00016712
-0.00020581 -0.00372136 -0.00184595
24.80201111 18.30052995 -2.35750424
-0.00052517 0.00053379 -0.00079897
-0.00543540 0.00757551 -0.00794936
1.77659746 16.85716207 -21.51976318
0.00065356 0.00017167 0.00046825
-0.00439323 0.00198755 0.03618361
3.51028334 15.52658809 -19.48531793
0.00082619 0.00024619 -0.00079283
-0.02011203 0.00989136 0.00774491
12.44741873 -0.93751011 -6.70104325
0.00029259 -0.00137767 -0.00081477
0.01374125 -0.00405605 -0.00909814
13.37540686 -0.94592380 -4.01722869
0.00021354 0.00044283 0.00031906
0.00110305 -0.00399694 0.00408581
-17.49339478 -2.16764756 2.54556707
-0.00062976 0.00043329 -0.00032368
-0.02981332 -0.02535717 -0.00574513
-14.62797711 -2.56945172 3.18718209
-0.00049205 -0.00063937 -0.00141668
-0.01260734 -0.00186116 -0.00167803
-16.66040532 -0.72578694 20.13506771
-0.00052061 -0.00037280 -0.00037959
0.00331251 0.02149467 0.00755955
-15.37093242 -3.18938326 19.66493619
0.00076302 -0.00027253 0.00075476
0.01937358 -0.01740448 0.00927398
-0.45783543 0.43661191 -4.89520549
0.00033644 0.00031579 0.00022158
-0.01930731 -0.01001410 -0.00605911
-0.78154199 3.48075886 -4.95838975
-0.00059905 -0.00064940 0.00009569
0.00613224 -0.02546259 -0.00089197
23.48953087 -8.78576715 -9.11457094
-0.00027599 -0.00089308 -0.00016977
-0.00635598 0.01530163 -0.00118962
24.08388659 -5.88940257 -8.66826177
-0.00006990 0.00074993 0.00053189
-0.01412228 -0.00639298 0.00283738
0.23429579 -6.20763593 5.66883109
-0.00013102 -0.00037966 0.00023631
-0.00690158 0.00110402 0.00838956
0.56908607 -6.15340551 8.56075332
0.00097129 -0.00114904 -0.00074221
-0.00781604 0.00635814 -0.00914977
-0.55026512 -2.83309256 -19.24564409
-0.00018866 0.00069709 -0.00113159
-0.01497233 0.02294352 0.00162962
-3.00852069 -1.93310692 -20.61269852
-0.00019235 -0.00069311 -0.00016300
0.01011400 0.00550928 0.01419310
2.61923562 2.75625599 -10.74715661
0.00031744 0.00112963 0.00074601
-0.00250387 0.00925566 -0.01888261
2.12293068 2.35260306 -7.84778869
0.00006910 -0.00163085 -0.00022366
0.00603179 -0.00986969 -0.01078146
-2.32742429 16.82112347 12.38074689
0.00067317 -0.00027438 -0.00027088
0.04318069 -0.03441589 -0.00406195
-3.54676863 18.79593332 13.85505573
-0.00056264 -0.00074876 0.00087968
-0.00766607 -0.00765748 -0.01991454
-5.19585437 6.25841885 -11.25793469
0.00002344 -0.00160087 0.00083972
0.00055773 -0.00761779 -0.01154515
-3.97807440 3.71128572 -12.38203120
-0.00118357 0.00099501 0.00097803
-0.00096808 0.00637703 0.00027451
-7.61092714 2.00167470 -7.36223220
0.00026913 -0.00079011 0.00033341
-0.00977167 -0.00311194 -0.00956475
-6.18035420 3.35052525 -9.41466496
-0.00087145 -0.00038239 -0.00003596
-0.03247205 -0.00565643 0.00339090
2.88753563 28.16505338 7.06277471
0.00059586 -0.00008969 -0.00052403
-0.00768539 -0.00833773 0.01227352
0.92454705 28.46994591 9.22616170
0.00088929 0.00069632 -0.00045965
0.00433134 -0.00442154 -0.00487110
10.64362435 -7.43333203 -0.81087036
-0.00043764 0.00056666 -0.00030622
-0.00068070 -0.00228236 0.00271155
8.52323079 -7.15086545 -2.88717734
-0.00012435 -0.00018044 0.00049169
0.00161130 -0.00751718 0.00591201
-6.98106375 0.43767627 6.63140120
-0.00079442 -0.00065774 0.00079434
-0.01335770 0.00236190 -0.00768974
-9.64253256 -0.27355208 7.08723022
-0.00046679 0.00074828 0.00085415
-0.02585077 -0.01907222 0.02010246
21.65891903 10.38429286 10.05139883
-0.00031369 0.00083439 0.00099387
-0.00390834 0.00369981 0.00191874
20.85583238 12.55617625 8.32286466
-0.00104535 -0.00033414 0.00038608
-0.00403511 -0.00085827 -0.00269662
-1.23664092 -3.48324967 -26.50330157
0.00137150 -0.00022412 0.00073777
-0.00082788 -0.00354526 0.00635132
-3.92113136 -2.07608766 -26.76989131
0.00008309 0.00025488 0.00045816
0.03263949 -0.00395643 -0.00350785
-13.84057697 7.23599944 9.22017568
0.00017229 0.00039486 0.00007416
-0.00027076 -0.00218714 -0.00072430
-15.52846045 7.21686890 6.91392809
-0.00000684 0.00056754 0.00088805
0.01324750 -0.00629848 0.00591708
-11.31211871 7.65915552 -2.78663253
-0.00023192 0.00085032 0.00088697
0.00885279 -0.00073009 -0.00474469
-8.44818871 8.20426200 -3.52484530
-0.00015400 -0.00001433 -0.00002387
-0.00095936 0.01427239 -0.01905745
-0.91795253 -17.01654201 23.05711466
-0.00015343 0.00074497 -0.00056950
-0.01924568 0.00563525 0.00399851
-3.61733829 -15.53917332 23.84037743
0.00158512 0.00010709 -0.00098951
0.02035801 -0.01008031 -0.00295862
-2.25493197 6.30091663 -8.02972834
-0.00061988 0.00051174 0.00020229
-0.01713962 -0.00217665 0.01393927
-4.46552045 7.00731919 -5.97148085
-0.00067647 -0.00084694 0.00027190
0.03454549 -0.00637299 -0.00782419
-21.30205165 29.87754518 3.12294937
-0.00010778 -0.00054154 0.00007652
-0.02633094 -0.00922432 -0.01979607
-21.06501847 31.10720376 5.66236231
0.00053575 -0.00069153 -0.00036994
-0.02677598 0.01156193 0.02799431
7.01074713 -0.22020352 6.02436805
-0.00031157 0.00119624 0.00043393
-0.00401573 0.01105959 -0.00334090
7.59766044 2.09767255 7.95680087
-0.00064671 0.00026303 -0.00082856
-0.00763067 -0.01229225 -0.00968345
7.12924976 12.76020915 -13.93944299
-0.00010004 0.00007427 0.00134148
-0.00455222 -0.00439245 0.01424624
4.58403208 11.77718864 -14.81394618
-0.00023562 0.00011667 -0.00085002
-0.03941959 0.00723092 -0.04322244
14.38008758 3.70179116 -2.90246441
-0.00033888 0.00017640 0.00073773
-0.00175020 0.00695299 0.00212366
14.92883204 1.08315605 -1.96255394
-0.00055134 -0.00071737 0.00005243
-0.00164949 -0.01189349 0.00638634
-2.64754463 13.01521179 -0.45870625
0.00006200 -0.00081465 0.00001661
-0.00362683 -0.00464212 0.00930215
-5.52936659 12.99937306 0.59565977
-0.00064210 0.00026681 0.00026100
0.00505259 -0.00501360 0.00778392
3.61898094 11.07401807 3.36821293
-0.00071418 0.00102258 -0.00078576
-0.03307782 -0.03951048 0.00763878
6.39770953 11.70097072 2.94040562
-0.00076356 -0.00063363 -0.00009770
-0.00421979 -0.00229147 0.00739457
25.25021204 -12.49130210 -8.32081345
0.00032674 0.00049442 -0.00047938
-0.00247492 -0.00690905 0.00098274
26.54195074 -11.67742414 -10.86266119
0.00031642 -0.00029698 0.00038644
0.03519480 0.00220285 -0.02891886
14.92124448 -3.62954625 -0.17258754
0.00061690 0.00084948 0.00135369
-0.02114383 0.00678219 0.00713184
17.05846422 -5.44952921 -0.57173955
-0.00031058 -0.00066492 0.00024929
0.00606004 -0.01147817 -0.00410218
12.39128045 7.97796561 11.79005113
-0.00020611 -0.00058859 -0.00086103
-0.01409097 -0.00436433 0.01762790
13.48060738 9.75168086 9.82103582
0.00002524 0.00016670 -0.00028523
-0.00162917 0.00050777 -0.01128193
-0.11775406 -14.74483086 17.23094984
0.00018589 -0.00026953 0.00030291
0.01257771 0.02104035 0.00883618
1.51187684 -12.40433604 18.35939582
0.00012414 -0.00032639 0.00041914
-0.00744678 0.02342617 0.01421589
-3.93713967 -2.32009862 -13.24954232
-0.00039911 -0.00005083 0.00127023
0.00142466 0.01820867 -0.00769119
-3.36422073 -1.10332887 -15.85110287
-0.00011350 -0.00059721 0.00082514
0.02075479 -0.01133433 -0.03621820
14.65876594 -8.19434684 -10.49716388
0.00085857 -0.00005767 0.00024506
-0.01990449 -0.01593320 -0.03324742
16.29240183 -6.30904605 -9.34853348
0.00039238 0.00118485 0.00092929
0.01996812 0.01989654 0.00646674
6.77239024 -6.05668470 8.72398684
-0.00060496 -0.00027009 -0.00089424
0.02269929 0.00396917 -0.00354347
9.63203545 -6.55764940 7.55520332
0.00083445 -0.00026751 0.00000334
-0.01457486 0.00918629 0.00695525
-21.83149280 2.00876591 21.00075085
-0.00018667 -0.00006100 0.00057715
0.01750314 0.00296818 0.02803393
-22.21499585 1.32438091 23.89223550
-0.00087188 0.00066610 -0.00002899
-0.00801201 -0.01405848 0.00312719
26.72065062 -2.94845244 -6.60658613
0.00012991 0.00008167 -0.00016707
-0.00300784 -0.00398470 -0.00230010
25.25173149 -1.49800817 -8.60643141
0.00021205 -0.00026329 -0.00037787
-0.00018474 -0.00838625 -0.00018153
9.58768445 -15.76011925 -7.62309106
0.00080601 -0.00009683 -0.00002611
0.00582973 0.02557760 -0.01497677
9.23270415 -12.98325433 -6.81432953
0.00061490 -0.00029124 -0.00004023
-0.00134172 0.00624087 -0.00592439
-5.98633794 -11.29121581 18.24660117
0.00027248 0.00012717 0.00083639
-0.00317612 -0.00580919 -0.01560030
-7.12675201 -11.44614534 15.48282770
0.00043335 -0.00008624 -0.00019466
0.00234165 0.00288762 0.00668001
8.44781615 1.40531199 -29.32583270
-0.00020476 -0.00079757 -0.00030419
-0.00958330 0.01850522 -0.00594272
6.17494842 3.32270489 -29.90668334
-0.00000138 -0.00097036 0.00030088
0.00018409 -0.01610701 -0.01115688
12.67305299 15.39542101 14.71608392
-0.00003195 -0.00079661 0.00004428
0.01046366 -0.01101985 -0.01995572
11.18918925 15.83134489 17.07563221
0.00025823 0.00033405 0.00089579
-0.00045915 0.01181375 0.03591067
29.24883668 4.80733470 -4.50896627
-0.00006078 0.00016172 -0.00026951
0.00567430 0.01134613 0.00933424
26.96682868 6.42738034 -3.94542463
0.00044278 0.00043623 0.00024268
-0.00608367 0.01183216 0.00732347
-9.94221511 4.86122219 6.65043468
-0.00001095 0.00008655 -0.00023949
-0.00192210 0.01274148 0.00087333
-8.74286536 13.33118670 2.59517201
-0.00009355 0.00006289 -0.00000223
-0.00495688 -0.00073105 0.00045833
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09670872
0.32854531
437.77015978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4136331138 (a.u.)
total exchange computation time: 2.8445630074 s
-154.4720265084
-931.42770754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4130785774 (a.u.)
total exchange computation time: 2.8241560459 s
-154.4774345757
Anderson extrapolation: theta=1.3621065303 (1.3621065303)
-931.42791428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4122309832 (a.u.)
total exchange computation time: 2.8284900188 s
-154.4856140675
Anderson extrapolation: theta=0.0592300372 (0.0592300372)
-931.42804071
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4121102052 (a.u.)
total exchange computation time: 2.8261821270 s
-154.4867575171
Anderson extrapolation: theta=2.0487409579 (2.0000000000)
-931.42804638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4118535608 (a.u.)
total exchange computation time: 2.8260679245 s
-154.4891459241
Anderson extrapolation: theta=0.2592557691 (0.2592557691)
-931.42805305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4117898248 (a.u.)
total exchange computation time: 2.8221399784 s
-154.4897075915
Anderson extrapolation: theta=1.5929610885 (1.5929610885)
-931.42805450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4117130089 (a.u.)
total exchange computation time: 2.8234190941 s
-154.4903557766
Anderson extrapolation: theta=0.3178794221 (0.3178794221)
-931.42805611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4117127899 (a.u.)
total exchange computation time: 2.8244149685 s
-154.4903295708
Anderson extrapolation: theta=1.2040276792 (1.2040276792)
-931.42805658
-116.288508 67.704209 97.859096
559.568190 1031.442552 -410.568701
443.279682 1099.146761 -312.709605
1225.727448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1364845863
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4117297852 (a.u.)
total exchange computation time: 2.8447170258 s
679.53321200
-1084.88484505
89.75204848
-388.44366428
-174.97307834
78.92349412
551.60419304
0.00000000
-931.42805698
4.02848685 -31.04545441 -2.24270153
0.00020708 -0.00055556 0.00011529
-0.00381373 0.00011048 -0.00484798
-11.49066338 -1.67921319 -9.27105345
0.00015330 0.00045484 -0.00001473
-0.01043923 0.00671053 -0.00271028
-37.49527713 2.43097537 0.18817657
-0.00007159 -0.00016900 0.00023377
-0.02093840 0.01091936 -0.00827831
-11.71766783 -4.17156517 3.91563700
-0.00007630 -0.00006059 0.00018778
0.00449047 0.00112938 -0.00111196
4.19494215 -3.98843194 9.11195262
-0.00023542 -0.00019190 -0.00031593
-0.00179537 -0.01484577 -0.00349235
-32.28589138 -0.36375790 -0.28731010
-0.00051417 0.00015732 0.00030753
0.00694603 -0.04855271 -0.02833692
14.40251599 12.53951271 -13.71591824
-0.00038015 -0.00012167 0.00006264
0.03631605 -0.00175969 -0.01210390
-7.71992060 6.06828273 2.65198950
-0.00005019 0.00009334 0.00022992
-0.00365979 -0.01968902 -0.05136202
7.47863321 12.43375898 -5.94031829
-0.00030867 -0.00037918 -0.00018442
0.02119166 0.01040040 0.00949552
8.82300396 9.91850004 -18.96773487
-0.00006160 0.00007608 -0.00008013
0.00739936 -0.00195485 -0.02523187
23.23050628 17.32681084 -2.22346163
-0.00027816 -0.00006714 -0.00010333
0.00981457 0.00321231 -0.00188377
2.13133868 16.83110100 -19.60355318
-0.00021696 -0.00001120 -0.00016443
0.01974409 -0.01153735 -0.02767982
14.01572323 -1.09289522 -5.71738908
-0.00011552 0.00028583 -0.00024895
-0.01033789 0.00112573 0.01309355
-16.06605579 -1.38527539 3.22837407
0.00009695 0.00019135 0.00013969
0.03243526 0.00526385 0.01037917
-16.47171258 -2.03098559 18.89196920
0.00050818 -0.00024440 -0.00030314
-0.01348361 -0.00692677 -0.00986967
0.42907295 2.03558057 -4.86543386
0.00014181 0.00010965 0.00022734
0.00890946 0.04377877 0.00461370
22.68549709 -7.11333192 -8.83155524
0.00023499 0.00007917 0.00006841
0.01480035 -0.01206627 -0.00328299
-0.73856673 -6.31838174 7.25273076
-0.00018344 0.00006613 0.00005101
0.01742201 -0.00807333 0.00264251
-1.73902696 -1.36044613 -19.33252458
0.00012390 0.00001631 0.00008586
-0.00743262 -0.03033356 -0.01551698
3.21208732 1.84593932 -9.31117885
-0.00010207 -0.00031293 0.00008111
-0.00345501 -0.00240933 0.03128546
-3.82490054 17.73852329 12.30234495
0.00012810 -0.00010654 -0.00003147
-0.01711069 0.05012943 0.02016945
-3.84468518 5.01274419 -11.09570494
-0.00001107 0.00012380 -0.00020447
0.01246183 0.00614833 0.00526051
-7.96170123 2.85267914 -8.96539834
0.00022224 -0.00019175 0.00002139
0.03285453 0.00624885 0.01088232
2.36283000 27.46087841 8.70093249
0.00015989 0.00004536 0.00035792
-0.00069071 0.00818264 -0.01176884
9.68199987 -6.24034759 -1.80807553
-0.00026619 -0.00009330 0.00013094
-0.00469730 0.01498678 -0.00684371
-8.74088010 0.81027399 6.02215467
0.00014208 0.00008147 0.00001187
0.03513314 0.00390605 -0.00556669
20.36969456 10.83571914 8.82216530
0.00014364 0.00017443 -0.00022311
0.00780736 -0.00523765 0.00235455
-2.12014694 -2.13945091 -27.39071235
0.00028628 0.00003329 -0.00041494
-0.03769016 -0.00252905 0.00328840
-14.30750640 6.15669332 7.81706405
0.00011413 -0.00011177 0.00027441
-0.00346210 0.00812255 -0.00338266
-9.55482927 7.29759624 -2.41387411
-0.00001826 -0.00011063 0.00042348
-0.02950290 -0.02274966 0.03147783
-1.80275906 -15.40119278 23.45454364
-0.00013954 0.00034448 -0.00032212
0.01253812 0.00315204 -0.00263552
-2.69036725 6.32649580 -6.21669268
-0.00000465 0.00000650 0.00017509
-0.02039344 0.00475438 -0.00364423
-20.16946735 30.74654505 4.19045387
-0.00036051 -0.00070558 -0.00008283
0.04624944 -0.00170970 -0.00497417
7.64437589 0.26796593 7.68224480
0.00014374 0.00019686 -0.00031650
0.01129896 0.01043849 0.02424611
5.72778226 11.53943944 -13.53784166
0.00018097 -0.00011707 0.00036781
0.02618932 -0.02366512 0.01806911
15.52716254 2.76520510 -1.83449473
0.00007018 -0.00001444 0.00021892
0.01075861 0.01520780 0.00110489
-4.40023666 13.32925097 -0.81201577
-0.00010360 -0.00034144 0.00014804
0.00219166 0.00398782 -0.02214370
4.67675044 12.41199737 2.91664829
0.00028117 0.00008345 -0.00050166
0.03062620 0.05550917 -0.01928523
25.06963706 -11.57268786 -9.89050568
0.00008243 0.00018754 -0.00019312
-0.04402358 -0.00155470 0.03642990
16.64591599 -3.67202758 -0.63199100
0.00030048 0.00032219 -0.00027446
0.02055771 0.00266741 -0.00338066
13.10572689 7.97718490 10.13938176
0.00031350 0.00001593 0.00031903
0.02170316 -0.00642841 -0.02258194
1.59349559 -14.01380448 17.62262865
0.00006692 -0.00011883 -0.00013917
0.00471353 -0.03582047 -0.02215759
-3.94757937 -0.72073183 -14.23427544
0.00053012 0.00003742 -0.00000754
-0.02443726 -0.00332534 0.05167658
15.06593305 -7.59063134 -8.88817831
-0.00022919 0.00020156 0.00004502
-0.00271286 -0.01112934 0.03256244
8.41003957 -7.01792627 8.86377975
-0.00017397 -0.00019095 0.00024541
0.00804365 0.01344025 -0.01060627
-21.15099385 2.28621705 22.77231697
0.00019881 0.00005434 0.00006139
-0.00539152 0.01200945 -0.03285908
25.68423342 -3.25135367 -8.10297570
-0.00002136 0.00014878 -0.00023423
0.01070135 0.02189597 0.00692563
9.87621406 -13.96918669 -8.22583769
0.00006701 0.00022395 -0.00041973
-0.00733465 -0.03725648 0.01990370
-6.72863462 -12.45044605 16.97086266
-0.00011639 0.00000881 -0.00001919
0.02219980 0.02166981 0.00578640
7.91014991 3.18924722 -29.34650540
-0.00048579 -0.00024796 0.00005045
0.01560851 -0.01233662 0.00825073
10.93226098 15.44219983 15.36851167
0.00030406 0.00028508 -0.00006834
-0.01154217 0.01194836 -0.01105169
28.69140961 6.19111867 -3.35934909
0.00007540 0.00020243 -0.00028536
0.00482447 -0.01542541 -0.00877143
5.40201086 -31.46843658 -3.42445213
-0.00052387 -0.00063083 -0.00019302
-0.00157936 -0.00180801 0.00728880
4.49637326 -31.31385963 -0.47192694
0.00052763 0.00058979 -0.00014111
0.00082441 -0.00669484 -0.00333665
-11.83590236 -3.40932706 -8.83541313
-0.00076594 -0.00007603 -0.00059430
-0.00272664 -0.01047279 -0.00151419
-12.50760087 -1.26253053 -10.73342723
-0.00009104 0.00063613 -0.00058704
0.00109182 -0.00071060 0.00052306
-39.06742985 1.95995954 1.07539330
0.00029970 0.00012419 0.00042920
0.01749044 0.00995006 -0.00866738
-37.95066305 3.88331628 -0.94440109
-0.00016906 0.00050194 -0.00053249
0.00526202 -0.01379006 0.01337130
-10.58376574 -5.59816225 3.46860308
0.00014642 -0.00102440 -0.00063953
-0.00621446 0.00733749 0.00027224
-10.73011713 -2.64719438 3.68927543
-0.00009099 0.00064754 0.00031042
0.00454835 -0.00411956 0.00413244
4.64883764 -2.40682707 8.38250881
-0.00064429 0.00100586 -0.00034388
0.00562393 0.01301797 -0.00972225
4.27801696 -3.63541029 10.90189477
-0.00128327 -0.00033867 -0.00008081
-0.00023288 -0.00425368 0.00914101
-33.66562401 -1.55452822 -0.33125943
-0.00083379 0.00073177 0.00104658
-0.00167748 0.00214408 -0.00064926
-32.75832509 0.85333595 0.87003345
-0.00066871 0.00076573 0.00008386
-0.01439533 0.03676736 0.02764833
14.12164530 12.65510716 -15.58193584
-0.00111405 0.00020940 0.00191516
0.00432555 0.00031211 0.01954582
16.27768099 12.25245183 -13.50100158
0.00081261 0.00059724 -0.00004268
-0.03007591 0.00388918 -0.01054510
-8.66978310 7.31919517 1.62771771
0.00042107 0.00035008 0.00007074
0.01161427 -0.00982373 0.01216808
-7.39937772 4.77973520 1.19164917
0.00017897 0.00006387 -0.00078311
-0.00522280 0.02460838 0.03676918
6.10042076 12.34257208 -7.07976234
-0.00022820 0.00016309 -0.00090600
-0.00942069 0.00103413 -0.01591527
8.88017800 13.62779720 -6.69079687
0.00027838 -0.00015443 -0.00003507
-0.01594938 -0.01551785 0.00663169
8.47927415 8.75580273 -20.36354262
-0.00021405 -0.00089617 0.00008684
0.00203443 0.00312122 0.01002896
10.03551562 11.13562498 -19.71126991
0.00099185 0.00006475 0.00025590
0.00128906 -0.01030939 0.01190716
23.92079289 15.67370380 -2.67379355
0.00063138 0.00105952 -0.00017677
0.00051148 -0.00864720 -0.00287847
24.79396708 18.30876887 -2.36973239
-0.00054939 0.00056456 -0.00083026
-0.00642185 0.00748842 -0.00736757
1.78626619 16.85979796 -21.51163058
0.00063307 0.00018000 0.00060981
-0.00563659 0.00209341 0.03310962
3.52205983 15.53058397 -19.49697298
0.00073955 0.00029020 -0.00075995
-0.02229558 0.01165490 0.00834643
12.45222865 -0.95829939 -6.71354353
0.00034562 -0.00139296 -0.00085109
0.01221644 -0.00343124 -0.00868212
13.37864377 -0.93940387 -4.01231753
0.00021842 0.00042580 0.00032753
0.00128793 -0.00433573 0.00005978
-17.50375476 -2.16192523 2.54053579
-0.00074092 0.00033714 -0.00034190
-0.02460226 -0.02170979 -0.00317295
-14.63574412 -2.57909929 3.16588045
-0.00054324 -0.00064482 -0.00142129
-0.01245371 -0.00080691 -0.00057956
-16.66811299 -0.73072033 20.12960558
-0.00050717 -0.00028482 -0.00034866
0.00326703 0.02157251 0.00758049
-15.35889347 -3.19400450 19.67654171
0.00083437 -0.00033551 0.00078732
0.01555139 -0.01342799 0.00666857
-0.45338050 0.44104192 -4.89206741
0.00025666 0.00027106 0.00019677
-0.01974576 -0.01188352 -0.00608954
-0.79033977 3.47023760 -4.95698170
-0.00057357 -0.00075071 0.00009168
0.00633999 -0.02412796 -0.00107362
23.48519627 -8.79869448 -9.11715396
-0.00030285 -0.00082144 -0.00017317
-0.00679126 0.01976825 -0.00047488
24.08240531 -5.87834948 -8.66019646
-0.00012826 0.00071993 0.00054264
-0.01444410 -0.00829367 0.00242601
0.23211904 -6.21329694 5.67263278
-0.00015956 -0.00037476 0.00026728
-0.00706914 0.00129324 0.00677153
0.58341591 -6.17044624 8.54933972
0.00093685 -0.00112263 -0.00077897
-0.00904082 0.00656787 -0.00884464
-0.55355386 -2.82193311 -19.26256806
-0.00024261 0.00078347 -0.00112254
-0.01143583 0.01933951 0.00280432
-3.01109602 -1.94333470 -20.61470865
-0.00014774 -0.00066715 -0.00010083
0.01172390 0.00719773 0.01624368
2.62392046 2.77348404 -10.73654503
0.00030773 0.00116647 0.00067011
-0.00224739 0.00877648 -0.01827203
2.12415198 2.32783785 -7.85147402
0.00008913 -0.00166742 -0.00026128
0.00377462 -0.00802996 -0.00763211
-2.31600349 16.81595322 12.37655928
0.00083991 -0.00040830 -0.00028716
0.03843638 -0.03113855 -0.00390835
-3.55544314 18.78446725 13.86764070
-0.00059235 -0.00078116 0.00079577
-0.00687607 -0.00819949 -0.02116067
-5.19548565 6.23417241 -11.24569266
0.00001251 -0.00161768 0.00079217
-0.00590713 -0.00060984 -0.01172956
-3.99585758 3.72640623 -12.36735238
-0.00118742 0.00100493 0.00096463
-0.00091512 -0.00151757 -0.00683244
-7.60718969 1.98972774 -7.35752417
0.00022793 -0.00079957 0.00028805
-0.01039480 -0.00152026 -0.01264083
-6.19442105 3.34461603 -9.41510048
-0.00099229 -0.00040284 -0.00002413
-0.02668069 -0.00435047 0.00240275
2.89623797 28.16345248 7.05529037
0.00056163 -0.00012838 -0.00046404
-0.00906817 -0.01059950 0.01709139
0.93801908 28.48025524 9.21911769
0.00090092 0.00068181 -0.00047659
0.00136102 -0.00268071 -0.00341959
10.63703895 -7.42490201 -0.81538057
-0.00043407 0.00054975 -0.00028837
0.00242741 -0.00599935 0.00602550
8.52141489 -7.15380233 -2.87962089
-0.00012057 -0.00021290 0.00051312
0.00024171 -0.00837642 0.00457795
-6.99338936 0.42788255 6.64308059
-0.00084167 -0.00064770 0.00076311
-0.00977301 0.00255360 -0.00759291
-9.65032651 -0.26291227 7.10065843
-0.00056928 0.00067647 0.00093030
-0.02431882 -0.01608029 0.01717725
21.65409394 10.39692210 10.06636560
-0.00033303 0.00085052 0.00099764
-0.00555917 0.00419546 -0.00006949
20.84002844 12.55113783 8.32857323
-0.00105770 -0.00032611 0.00037153
-0.00200962 0.00478923 -0.00442682
-1.21609376 -3.48672015 -26.49204036
0.00135912 -0.00022624 0.00075541
-0.00523311 0.00250781 0.00228216
-3.91888483 -2.07238565 -26.76312636
0.00022120 0.00023806 0.00044204
0.03496770 -0.00427934 -0.00438225
-13.83800090 7.24185533 9.22126595
0.00017173 0.00038353 0.00007050
-0.00000178 -0.00335758 -0.00107041
-15.52815706 7.22518903 6.92743012
0.00004813 0.00053986 0.00091166
0.01365895 -0.00725207 0.00563939
-11.31532621 7.67188788 -2.77347337
-0.00019181 0.00084590 0.00086866
0.01077897 -0.00143120 -0.00421832
-8.45052815 8.20448439 -3.52578738
-0.00015977 0.00004216 -0.00009930
-0.00186157 0.01338120 -0.01786240
-0.92084380 -17.00519475 23.04869473
-0.00022991 0.00076541 -0.00055406
-0.01819079 0.00437024 0.00356010
-3.59293769 -15.53787593 23.82544419
0.00164214 0.00006445 -0.00099605
0.00755289 -0.01079180 -0.00024508
-2.26475537 6.30852605 -8.02626692
-0.00068805 0.00050216 0.00025673
-0.01622966 -0.00251250 0.01271347
-4.47460889 6.99441982 -5.96764217
-0.00053210 -0.00087334 0.00024009
0.03612262 -0.00654868 -0.00774525
-21.30447526 29.86913936 3.12349060
-0.00021820 -0.00058109 -0.00000626
-0.02771984 -0.01013218 -0.02072847
-21.05780267 31.09718505 5.65767104
0.00041993 -0.00064203 -0.00024542
-0.02992201 0.01266892 0.03295827
7.00595046 -0.20192101 6.03077468
-0.00033080 0.00123555 0.00041007
-0.00539299 0.00818142 -0.00833856
7.58772590 2.10124132 7.94407577
-0.00067678 0.00021318 -0.00086570
-0.00708692 -0.01210943 -0.00849783
7.12760973 12.76118860 -13.91888430
-0.00011570 0.00005862 0.00139730
-0.00311391 -0.00326598 0.01307952
4.57928982 11.77916025 -14.82802102
-0.00037670 0.00014279 -0.00100575
-0.02963927 0.00555400 -0.03300465
14.37495080 3.70465021 -2.89133346
-0.00034573 0.00020434 0.00074650
-0.00160236 0.00672483 0.00217200
14.92051144 1.07203110 -1.96157186
-0.00055296 -0.00075098 0.00008002
0.00085369 -0.00456085 0.00712281
-2.64672576 13.00284982 -0.45817201
0.00004360 -0.00083289 0.00005449
-0.00538268 -0.00428614 0.00923878
-5.53884324 13.00322154 0.59981327
-0.00061852 0.00024651 0.00029005
0.00648733 -0.00492213 0.00643760
3.60725463 11.08814606 3.35666067
-0.00085053 0.00086054 -0.00075440
-0.03366844 -0.03980808 0.00770915
6.38612682 11.69139599 2.93916670
-0.00077140 -0.00064620 -0.00006772
0.00038084 -0.00385821 0.00727969
25.25503733 -12.48409756 -8.32797407
0.00031597 0.00046328 -0.00046973
-0.00279968 -0.00833143 0.00374063
26.54777545 -11.68181135 -10.85775073
0.00045984 -0.00028724 0.00026698
0.03501336 0.00256533 -0.02956046
14.92985011 -3.61659624 -0.15206369
0.00053334 0.00087758 0.00138247
-0.01976257 0.00697495 0.00695863
17.05399121 -5.45985468 -0.56812584
-0.00028814 -0.00069943 0.00023167
0.00492596 -0.00541702 -0.00452647
12.38775697 7.96900304 11.77767591
-0.00026866 -0.00060498 -0.00077640
-0.01652620 -0.00366014 0.02379807
13.48093607 9.75419686 9.81641163
0.00001784 0.00016595 -0.00032921
-0.00199407 -0.00087209 -0.01024561
-0.11458026 -14.74822908 17.23576427
0.00023587 -0.00018419 0.00033850
0.01188444 0.02073455 0.00858674
1.51351069 -12.40851409 18.36611854
0.00009370 -0.00023238 0.00047670
-0.00745382 0.02259362 0.01395961
-3.94308266 -2.32030317 -13.23072460
-0.00039229 0.00003090 0.00123303
0.00191494 0.02179891 -0.01051579
-3.36528722 -1.11263435 -15.83983568
-0.00002403 -0.00064781 0.00066394
0.02304295 -0.01343617 -0.04268900
14.67103451 -8.19570015 -10.49450673
0.00077736 -0.00012346 0.00010490
-0.01984890 -0.01627009 -0.03536448
16.29889941 -6.29066362 -9.33439604
0.00046591 0.00125681 0.00095651
0.01602389 0.01532852 0.00685994
6.76401142 -6.06061444 8.71046463
-0.00050845 -0.00025505 -0.00090755
0.02454267 0.00339517 -0.00297108
9.64410563 -6.56138058 7.55546654
0.00076686 -0.00023291 0.00003938
-0.01851128 0.00775232 0.01068894
-21.83375656 2.00794185 21.01026716
-0.00011564 -0.00004867 0.00068712
0.01726959 0.00306686 0.02579883
-22.22831956 1.33394157 23.89189646
-0.00090135 0.00061088 -0.00001756
-0.00641328 -0.01297102 0.00246886
26.72250703 -2.94734954 -6.60916273
0.00011681 0.00006506 -0.00017793
-0.00340392 -0.00414245 -0.00301540
25.25490660 -1.50221448 -8.61210496
0.00020992 -0.00029272 -0.00037986
-0.00085829 -0.00601860 -0.00079661
9.59995331 -15.76078795 -7.62394158
0.00082957 0.00001056 -0.00008882
0.00569857 0.02698993 -0.01572088
9.24188648 -12.98743170 -6.81511456
0.00060820 -0.00026385 -0.00006264
-0.00193835 0.00716777 -0.00504315
-5.98234808 -11.28948632 18.25866903
0.00025546 0.00009795 0.00076531
-0.00515477 -0.00849401 -0.01919788
-7.12018002 -11.44735051 15.48011251
0.00044285 -0.00007351 -0.00016745
0.00231062 0.00334681 0.00664154
8.44445115 1.39391546 -29.33057759
-0.00024507 -0.00071464 -0.00032792
-0.01014868 0.02208933 -0.00567587
6.17493340 3.30765587 -29.90251206
-0.00000935 -0.00103428 0.00025268
-0.00408704 -0.01518056 -0.01243783
12.67289439 15.38313425 14.71613665
0.00001472 -0.00084116 -0.00003808
0.01238055 -0.01078939 -0.02036015
11.19304867 15.83671758 17.09016950
0.00025423 0.00037823 0.00102429
-0.00149932 0.00981284 0.02698815
29.24809885 4.81010821 -4.51272286
-0.00003770 0.00020766 -0.00023208
0.00562371 0.01113953 0.00898764
26.97328390 6.43428632 -3.94156009
0.00041127 0.00048512 0.00026988
-0.00933690 0.01210221 0.00599560
-9.94238458 4.86255459 6.64684460
-0.00001163 0.00009113 -0.00023918
-0.00183212 0.01284827 0.00086191
-8.74427727 13.33212884 2.59513941
-0.00009471 0.00006274 -0.00000214
-0.00506534 -0.00059045 0.00030138
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09673341
0.33132357
441.47204454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4062237155 (a.u.)
total exchange computation time: 2.7566978931 s
-154.4489759713
-931.42827540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4058066332 (a.u.)
total exchange computation time: 2.7588148117 s
-154.4534638897
Anderson extrapolation: theta=1.3872166204 (1.3872166204)
-931.42848437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4051652382 (a.u.)
total exchange computation time: 2.8144481182 s
-154.4603449795
Anderson extrapolation: theta=0.0680249679 (0.0680249679)
-931.42861684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4050750291 (a.u.)
total exchange computation time: 2.8129720688 s
-154.4613350349
Anderson extrapolation: theta=2.2272774987 (2.0000000000)
-931.42862408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4048897445 (a.u.)
total exchange computation time: 2.8129281998 s
-154.4633397815
Anderson extrapolation: theta=0.3536971471 (0.3536971471)
-931.42863318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4048366400 (a.u.)
total exchange computation time: 2.8137681484 s
-154.4639001737
Anderson extrapolation: theta=1.1097472707 (1.1097472707)
-931.42863539
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4048035974 (a.u.)
total exchange computation time: 2.8152148724 s
-154.4642475298
Anderson extrapolation: theta=0.4345908496 (0.4345908496)
-931.42863704
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4048136560 (a.u.)
total exchange computation time: 2.8125960827 s
-154.4641481586
Anderson extrapolation: theta=0.8461203103 (0.8461203103)
-931.42863757
-116.251112 67.715615 97.918824
559.560288 1031.435627 -410.532156
443.309175 1099.151243 -312.613332
1225.717575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4048389764 (a.u.)
total exchange computation time: 2.7583048344 s
679.43098473
-1084.67303262
89.76500233
-388.58968498
-174.95706834
78.80554315
551.60419304
0.00000000
-931.42863786
4.03157839 -31.05378739 -2.24099093
0.00020440 -0.00055516 0.00011257
-0.00661816 0.00143977 -0.00572279
-11.48840414 -1.67236463 -9.27128491
0.00014691 0.00045737 -0.00001695
-0.01440928 0.00312822 -0.00589619
-37.49643169 2.42848246 0.19165115
-0.00008210 -0.00016216 0.00022840
-0.01995876 0.01570642 -0.01261285
-11.71879507 -4.17246971 3.91844944
-0.00007276 -0.00006037 0.00018670
0.00930222 -0.00025913 -0.00308736
4.19140387 -3.99136774 9.10720014
-0.00023586 -0.00019771 -0.00031834
0.00009739 -0.00773970 -0.00586815
-32.29357707 -0.36158540 -0.28280643
-0.00051073 0.00013333 0.00029384
0.00643195 -0.04473496 -0.02492286
14.39695376 12.53768093 -13.71502538
-0.00035978 -0.00012285 0.00005930
0.04292649 -0.00284003 -0.00087528
-7.72068760 6.06960682 2.65524021
-0.00005192 0.00008276 0.00020285
-0.00305380 -0.02142969 -0.05392232
7.47408498 12.42811142 -5.94304799
-0.00029806 -0.00037354 -0.00018030
0.02004371 0.01152777 0.00654174
8.82210844 9.91963376 -18.96903407
-0.00005750 0.00007491 -0.00009379
0.00855074 -0.00259806 -0.02791161
23.22637173 17.32581609 -2.22501885
-0.00027306 -0.00006427 -0.00010431
0.01002893 0.00796615 -0.00193417
2.12816044 16.83088847 -19.60612634
-0.00020591 -0.00001759 -0.00017775
0.02322497 -0.01332506 -0.02412424
14.01395051 -1.08860344 -5.72107281
-0.00012047 0.00028639 -0.00024130
-0.00888874 0.00106856 0.01665794
-16.06447647 -1.38238480 3.23050948
0.00011195 0.00019283 0.00014403
0.02589662 0.00046568 0.00650833
-16.46414187 -2.03467831 18.88738399
0.00050225 -0.00024894 -0.00030737
-0.00956382 -0.01072534 -0.00656555
0.43123447 2.03739414 -4.86200602
0.00014646 0.00013198 0.00022971
0.00918484 0.04306395 0.00463581
22.68907906 -7.11219088 -8.83054168
0.00024266 0.00007243 0.00006663
0.01503039 -0.01416532 -0.00364218
-0.74125114 -6.31742099 7.25350616
-0.00017422 0.00006193 0.00005271
0.01843167 -0.00822974 0.00396428
-1.73719716 -1.36031845 -19.33129653
0.00011872 0.00000139 0.00007701
-0.01268657 -0.02768534 -0.01891043
3.21054289 1.84123614 -9.30984147
-0.00010336 -0.00031430 0.00009591
-0.00153544 -0.00294301 0.02623871
-3.82304508 17.73711850 12.30195072
0.00012063 -0.00008176 -0.00002081
-0.01191140 0.04624133 0.02126979
-3.84480308 5.01462486 -11.09875169
-0.00000284 0.00012734 -0.00019990
0.01950543 0.00761423 0.01250232
-7.95824083 2.84982694 -8.96503558
0.00023748 -0.00018938 0.00002804
0.02640474 0.00299035 0.01498099
2.36522575 27.46159045 8.70625595
0.00016062 0.00004960 0.00035045
0.00349985 0.00829377 -0.01731165
9.67798896 -6.24168922 -1.80613780
-0.00026908 -0.00008446 0.00012686
-0.00656701 0.01936882 -0.00903716
-8.73861340 0.81151112 6.02231124
0.00015861 0.00008253 0.00000986
0.02914748 0.00021367 -0.00225786
20.37187921 10.83831540 8.81882780
0.00014757 0.00017009 -0.00022096
0.00748317 -0.01165434 0.00598330
-2.11599807 -2.13896128 -27.39692372
0.00026753 0.00003056 -0.00041206
-0.03521766 -0.00808143 0.00788401
-14.30580786 6.15504816 7.82116714
0.00011224 -0.00010710 0.00027285
-0.00387783 0.01002818 -0.00266465
-9.55521703 7.29584908 -2.40740054
-0.00003347 -0.00012179 0.00043905
-0.02962478 -0.02066812 0.02907121
-1.80480375 -15.39601341 23.44970161
-0.00012974 0.00034669 -0.00032417
0.02554673 0.00543978 -0.00531828
-2.69051573 6.32661159 -6.21408038
-0.00001565 0.00000899 0.00017358
-0.02237075 0.00492268 -0.00222107
-20.17469656 30.73595479 4.18919221
-0.00033585 -0.00070642 -0.00008623
0.04963494 -0.00154852 -0.00824649
7.64657555 0.27095913 7.67759082
0.00014987 0.00020279 -0.00030306
0.01253294 0.01262156 0.02801902
5.73059779 11.53759211 -13.53225480
0.00019147 -0.00012922 0.00037446
0.01463275 -0.02360374 0.00780461
15.52825678 2.76504720 -1.83120667
0.00007502 -0.00000831 0.00021931
0.00806074 0.00860935 0.00039741
-4.40178227 13.32414477 -0.80988066
-0.00010247 -0.00033951 0.00013705
0.00220294 0.00352052 -0.02058351
4.68108609 12.41346326 2.90904903
0.00029547 0.00011198 -0.00051130
0.02500678 0.05543483 -0.01822328
25.07070371 -11.56988077 -9.89326203
0.00006018 0.00018695 -0.00017513
-0.04250547 -0.00072949 0.03356119
16.65050247 -3.66718451 -0.63612094
0.00031076 0.00032198 -0.00027596
0.01943001 -0.00346661 -0.00244595
13.11051317 7.97739912 10.14408008
0.00032537 0.00001281 0.00030575
0.02444529 -0.00573601 -0.02904020
1.59451763 -14.01572505 17.62045569
0.00006964 -0.00013659 -0.00015025
0.00585616 -0.03325202 -0.02094422
-3.93972187 -0.72018339 -14.23418925
0.00051699 0.00003527 0.00002081
-0.02660419 -0.00501461 0.05858946
15.06248469 -7.58765086 -8.88737748
-0.00022953 0.00019693 0.00006174
0.00139344 -0.00689906 0.03248707
8.40746103 -7.02073873 8.86742002
-0.00016934 -0.00018343 0.00023907
0.00997258 0.01581228 -0.01407533
-21.14803248 2.28707852 22.77311101
0.00019567 0.00006016 0.00004554
-0.00683754 0.01060633 -0.02874420
25.68395430 -3.24903755 -8.10646241
-0.00001562 0.00015936 -0.00023032
0.01160449 0.01927399 0.00827356
9.87719086 -13.96597120 -8.23205689
0.00006336 0.00020434 -0.00040958
-0.00684503 -0.03900522 0.01959003
-6.73029488 -12.45023031 16.97059712
-0.00010459 0.00002038 -0.00001531
0.02368155 0.02332635 0.00928939
7.90292332 3.18548026 -29.34571680
-0.00047657 -0.00025526 0.00005497
0.02022846 -0.01605891 0.00930295
10.93677741 15.44652215 15.36744391
0.00029770 0.00029158 -0.00007151
-0.01320589 0.01333701 -0.00127144
28.69255923 6.19409559 -3.36366326
0.00007867 0.00019447 -0.00028936
0.00787857 -0.01552515 -0.00678903
5.39410433 -31.47795445 -3.42712410
-0.00052629 -0.00063914 -0.00016556
0.00039845 -0.00225943 0.00615587
4.50431292 -31.30521791 -0.47414580
0.00053257 0.00056109 -0.00015113
0.00159684 -0.00735689 -0.00156719
-11.84747508 -3.41078844 -8.84437399
-0.00077471 -0.00011083 -0.00060171
-0.00156276 -0.00656127 -0.00211456
-12.50893306 -1.25301029 -10.74221685
-0.00008118 0.00063196 -0.00057743
0.00373376 -0.00133223 0.00418051
-39.06239832 1.96212723 1.08156577
0.00036713 0.00016376 0.00039548
0.01551679 0.00942007 -0.00783986
-37.95303775 3.89042278 -0.95197872
-0.00014534 0.00043757 -0.00047139
0.00635224 -0.01771859 0.01653616
-10.58175985 -5.61330346 3.45901853
0.00011489 -0.00098390 -0.00063535
-0.00922192 0.01248957 0.00177250
-10.73134268 -2.63760747 3.69405835
-0.00007619 0.00062264 0.00032812
0.00269946 -0.00806909 0.00453162
4.63934556 -2.39134024 8.37705262
-0.00062527 0.00104413 -0.00037615
0.00368898 0.00571391 -0.00607361
4.25876075 -3.64062066 10.90096267
-0.00128354 -0.00035632 -0.00004660
0.00010382 -0.00438689 0.00760912
-33.67818223 -1.54348590 -0.31558069
-0.00084218 0.00073822 0.00104298
-0.00242969 0.00101186 -0.00110960
-32.76879688 0.86594862 0.87213863
-0.00072443 0.00091064 0.00019056
-0.01288113 0.03416673 0.02458086
14.10506707 12.65825769 -15.55260953
-0.00109810 0.00021162 0.00197385
0.00348395 0.00077615 0.00918610
16.28894853 12.26152968 -13.50196499
0.00067831 0.00061387 -0.00008762
-0.03566557 0.00425051 -0.01145313
-8.66311123 7.32414531 1.62915167
0.00046792 0.00031017 0.00012067
0.01132385 -0.00971205 0.01227529
-7.39685316 4.78144734 1.18102925
0.00015674 0.00016740 -0.00062782
-0.00565867 0.02606913 0.03924648
6.09670903 12.34505015 -7.09383996
-0.00026103 0.00016777 -0.00096623
-0.00664739 0.00125438 -0.01357004
8.88386494 13.62500531 -6.69111975
0.00021141 -0.00021891 -0.00000659
-0.01683100 -0.01604860 0.00731294
8.47612575 8.74245589 -20.36193268
-0.00020317 -0.00087746 0.00013248
0.00328989 0.00603372 0.01231119
10.05043285 11.13628025 -19.70706657
0.00099184 0.00001768 0.00030552
-0.00129198 -0.01272823 0.01238552
23.93027931 15.68933165 -2.67653325
0.00063506 0.00101457 -0.00019053
0.00128721 -0.01335754 -0.00386008
24.78552947 18.31746672 -2.38241206
-0.00057756 0.00059490 -0.00085910
-0.00736734 0.00736422 -0.00675027
1.79558947 16.86256215 -21.50146882
0.00060734 0.00018881 0.00073694
-0.00695698 0.00221606 0.02912176
3.53246991 15.53529413 -19.50811651
0.00064493 0.00034052 -0.00072458
-0.02402426 0.01297532 0.00896791
12.45778727 -0.97929896 -6.72657590
0.00039232 -0.00140576 -0.00088565
0.01064489 -0.00283132 -0.00823732
13.38195961 -0.93314965 -4.00740270
0.00022385 0.00040738 0.00031977
0.00136954 -0.00468576 -0.00386075
-17.51562251 -2.15753342 2.53531004
-0.00082913 0.00025667 -0.00034873
-0.01857337 -0.01768144 -0.00017236
-14.64427438 -2.58879630 3.14454330
-0.00059352 -0.00064611 -0.00142140
-0.01215524 0.00017509 0.00052639
-16.67562043 -0.73433162 20.12460803
-0.00049364 -0.00019777 -0.00031869
0.00335732 0.02104046 0.00708575
-15.34590143 -3.19944869 19.68855593
0.00088936 -0.00038148 0.00080862
0.01137031 -0.00907447 0.00375698
-0.45013572 0.44474364 -4.88930254
0.00017593 0.00021988 0.00017189
-0.01976986 -0.01316786 -0.00608785
-0.79874900 3.45823764 -4.95563945
-0.00054791 -0.00084555 0.00008690
0.00621793 -0.02229686 -0.00126652
23.48044546 -8.81041029 -9.11976609
-0.00033089 -0.00073286 -0.00017383
-0.00693548 0.02359098 0.00015237
24.08003880 -5.86780468 -8.65198247
-0.00018728 0.00068280 0.00055178
-0.01444912 -0.00988071 0.00204614
0.22950905 -6.21887869 5.67684947
-0.00018848 -0.00036906 0.00029112
-0.00708866 0.00149608 0.00489635
0.59719166 -6.18708446 8.53738407
0.00089774 -0.00109530 -0.00081411
-0.01010624 0.00681082 -0.00835645
-0.55754346 -2.80958842 -19.27932016
-0.00028105 0.00085400 -0.00110906
-0.00738247 0.01518509 0.00379343
-3.01295283 -1.95312136 -20.61572327
-0.00009723 -0.00063464 -0.00003132
0.01299899 0.00871600 0.01777932
2.62846758 2.79124998 -10.72705329
0.00029965 0.00120032 0.00059831
-0.00170961 0.00779648 -0.01687539
2.12560462 2.30258052 -7.85562709
0.00009935 -0.00169632 -0.00028537
0.00122904 -0.00611665 -0.00416143
-2.30222708 16.80887460 12.37213215
0.00098429 -0.00052703 -0.00030269
0.03223922 -0.02698309 -0.00369685
-3.56453906 18.77249867 13.87892882
-0.00061855 -0.00081507 0.00070769
-0.00594922 -0.00840415 -0.02195314
-5.19547895 6.20988860 -11.23416949
-0.00002556 -0.00160549 0.00074429
-0.01273051 0.00657613 -0.01170894
-4.01369686 3.74143373 -12.35309229
-0.00119138 0.00098178 0.00092170
-0.00102538 -0.00981600 -0.01418400
-7.60408929 1.97768762 -7.35359084
0.00018441 -0.00080293 0.00023099
-0.01090681 -0.00012531 -0.01528996
-6.21012304 3.33844018 -9.41538875
-0.00108719 -0.00041730 -0.00001695
-0.01977213 -0.00272924 0.00110858
2.90438455 28.16120198 7.04885349
0.00052228 -0.00017561 -0.00038586
-0.01019501 -0.01252147 0.02117920
0.95157452 28.49040027 9.21186411
0.00090027 0.00067462 -0.00048753
-0.00167873 -0.00083782 -0.00193608
10.63060231 -7.41683967 -0.81952150
-0.00041783 0.00051786 -0.00025706
0.00552141 -0.00960987 0.00930170
8.51961380 -7.15725256 -2.87178388
-0.00012237 -0.00024883 0.00052909
-0.00112523 -0.00920824 0.00324009
-7.00631392 0.41824532 6.65429464
-0.00087370 -0.00063717 0.00073275
-0.00590716 0.00259801 -0.00727259
-9.65961088 -0.25325795 7.11513937
-0.00066396 0.00061834 0.00099283
-0.02203038 -0.01237711 0.01342707
21.64892815 10.40980847 10.08132812
-0.00035889 0.00086855 0.00099338
-0.00710161 0.00462916 -0.00201735
20.82410133 12.54639293 8.33401050
-0.00106191 -0.00029471 0.00034994
-0.00005023 0.01057986 -0.00614240
-1.19586730 -3.49003694 -26.48063928
0.00132939 -0.00020474 0.00075687
-0.00932087 0.00801782 -0.00156690
-3.91449525 -2.06894590 -26.75662998
0.00036696 0.00022009 0.00042285
0.03638151 -0.00451831 -0.00501524
-13.83542493 7.24750545 9.22229062
0.00017234 0.00036750 0.00006556
0.00029768 -0.00449335 -0.00134598
-15.52701656 7.23306472 6.94127776
0.00010412 0.00050880 0.00093364
0.01374903 -0.00795346 0.00512403
-11.31787311 7.68453252 -2.76057273
-0.00014458 0.00083864 0.00085243
0.01234313 -0.00212281 -0.00372862
-8.45298167 8.20552686 -3.52782418
-0.00016985 0.00009429 -0.00016897
-0.00307672 0.01213722 -0.01624366
-0.92484992 -16.99357966 23.04049299
-0.00030154 0.00078009 -0.00054066
-0.01687157 0.00281305 0.00299609
-3.56807421 -15.53723993 23.81049592
0.00164372 0.00001868 -0.00099098
-0.00677633 -0.01161050 0.00272869
-2.27557343 6.31598149 -8.02202634
-0.00075221 0.00049121 0.00030535
-0.01517908 -0.00284639 0.01108412
-4.48148353 6.98111911 -5.96427817
-0.00038280 -0.00089998 0.00020888
0.03696093 -0.00649626 -0.00753344
-21.30859771 29.86011257 3.12276146
-0.00033277 -0.00062304 -0.00009131
-0.02836060 -0.01040455 -0.02090337
-21.05242067 31.08794276 5.65499966
0.00029320 -0.00058874 -0.00010376
-0.03211367 0.01341859 0.03638522
7.00082327 -0.18313709 6.03667026
-0.00035564 0.00126311 0.00036607
-0.00677089 0.00530920 -0.01320372
7.57735704 2.10406795 7.93082987
-0.00070454 0.00016488 -0.00089770
-0.00650052 -0.01153489 -0.00716705
7.12577887 12.76196789 -13.89752401
-0.00012534 0.00004783 0.00144821
-0.00160508 -0.00202010 0.01184147
4.57273108 11.78147224 -14.84411859
-0.00047659 0.00016184 -0.00111809
-0.01925750 0.00377086 -0.02198812
14.36971582 3.70792141 -2.88006939
-0.00035182 0.00023114 0.00075562
-0.00137995 0.00639161 0.00229029
14.91224315 1.06062663 -1.96015325
-0.00054443 -0.00075494 0.00011056
0.00332351 0.00262376 0.00782616
-2.64623677 12.99022517 -0.45707155
0.00001824 -0.00084963 0.00009204
-0.00702947 -0.00391074 0.00914164
-5.54792231 13.00676836 0.60436130
-0.00058906 0.00022662 0.00031337
0.00793339 -0.00481597 0.00497598
3.59346491 11.09983436 3.34558088
-0.00098626 0.00070092 -0.00072402
-0.03277146 -0.03832868 0.00716341
6.37456745 11.68158480 2.93837393
-0.00076042 -0.00066531 -0.00003819
0.00499611 -0.00549934 0.00717890
25.25969104 -12.47740364 -8.33490543
0.00030390 0.00042640 -0.00044893
-0.00310569 -0.00972286 0.00644445
26.55574599 -11.68604135 -10.85465192
0.00059922 -0.00027572 0.00014696
0.03321447 0.00307449 -0.02918875
14.93724458 -3.60321877 -0.13111337
0.00045753 0.00090625 0.00140982
-0.01734592 0.00705964 0.00642696
17.04982010 -5.47051214 -0.56478954
-0.00027025 -0.00070932 0.00021224
0.00383096 0.00057531 -0.00498391
12.38322066 7.95981615 11.76675917
-0.00034060 -0.00061848 -0.00066840
-0.01868935 -0.00294819 0.02907050
13.48114255 9.75665941 9.81115952
0.00000890 0.00015951 -0.00036879
-0.00238096 -0.00228040 -0.00912833
-0.11067811 -14.75035657 17.24110494
0.00028218 -0.00010070 0.00037283
0.01078492 0.02013473 0.00821502
1.51468772 -12.41130745 18.37369679
0.00006346 -0.00014403 0.00053212
-0.00734549 0.02065679 0.01316792
-3.94890828 -2.31917174 -13.21255135
-0.00038352 0.00012611 0.00118535
0.00237852 0.02481112 -0.01282403
-3.36494150 -1.12276328 -15.83118473
0.00007156 -0.00070552 0.00048501
0.02374530 -0.01481068 -0.04489824
14.68208662 -8.19805059 -10.49401694
0.00069738 -0.00018919 -0.00004053
-0.01930166 -0.01590531 -0.03582351
16.30637904 -6.27134176 -9.31983818
0.00052302 0.00130964 0.00098497
0.01193242 0.01053336 0.00707126
6.75713672 -6.06433609 8.69676033
-0.00040516 -0.00024207 -0.00091842
0.02602107 0.00295608 -0.00234875
9.65504131 -6.56463666 7.55638485
0.00068425 -0.00020384 0.00008956
-0.02192567 0.00647720 0.01387295
-21.83496193 2.00730574 21.02136457
-0.00004620 -0.00003621 0.00078640
0.01672009 0.00303459 0.02279558
-22.24203631 1.34270729 23.89170872
-0.00092359 0.00056053 -0.00000944
-0.00447539 -0.01167616 0.00150537
26.72415484 -2.94650051 -6.61192414
0.00010234 0.00004794 -0.00019137
-0.00367864 -0.00423884 -0.00356352
25.25802910 -1.50678966 -8.61782734
0.00020498 -0.00031201 -0.00038447
-0.00156014 -0.00342512 -0.00145680
9.61257142 -15.75980253 -7.62575557
0.00085230 0.00012218 -0.00015399
0.00543160 0.02765243 -0.01618034
9.25095002 -12.99116978 -6.81620867
0.00059912 -0.00023277 -0.00008149
-0.00250417 0.00804553 -0.00418435
-5.97867413 -11.28827739 18.26956032
0.00023095 0.00005870 0.00068060
-0.00684109 -0.01071616 -0.02226531
-7.11346643 -11.44835057 15.47780434
0.00045214 -0.00005881 -0.00014064
0.00223682 0.00384616 0.00648065
8.44046418 1.38387270 -29.33567033
-0.00028708 -0.00061857 -0.00035046
-0.01042011 0.02493815 -0.00535758
6.17466790 3.29167650 -29.89910305
-0.00003447 -0.00109442 0.00019941
-0.00820929 -0.01425847 -0.01363667
12.67349454 15.37018624 14.71494159
0.00006833 -0.00088472 -0.00012152
0.01386430 -0.01053266 -0.02048656
11.19681621 15.84269167 17.10636080
0.00024603 0.00041402 0.00111523
-0.00251421 0.00770854 0.01752758
29.24770567 4.81356443 -4.51592864
-0.00001481 0.00025227 -0.00019652
0.00558137 0.01069967 0.00841835
26.97916690 6.44193401 -3.93732810
0.00036694 0.00053496 0.00029176
-0.01236507 0.01229241 0.00471042
-9.94256388 4.86395598 6.64325915
-0.00001227 0.00009574 -0.00023887
-0.00174635 0.01295544 0.00086885
-8.74570681 13.33306891 2.59510785
-0.00009590 0.00006262 -0.00000209
-0.00515307 -0.00046401 0.00015758
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09575531
0.33288254
443.54930085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3989871908 (a.u.)
total exchange computation time: 2.6047780514 s
-154.4207065199
-931.42690731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3986048082 (a.u.)
total exchange computation time: 2.6028118134 s
-154.4248431700
Anderson extrapolation: theta=1.4918314067 (1.4918314067)
-931.42713877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3979648051 (a.u.)
total exchange computation time: 2.6020679474 s
-154.4317124108
Anderson extrapolation: theta=0.1040625753 (0.1040625753)
-931.42730828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3978543148 (a.u.)
total exchange computation time: 2.6024818420 s
-154.4329418309
Anderson extrapolation: theta=2.5534953408 (2.0000000000)
-931.42732454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3976428950 (a.u.)
total exchange computation time: 2.6007249355 s
-154.4353396106
Anderson extrapolation: theta=0.5264004894 (0.5264004894)
-931.42734838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3975682756 (a.u.)
total exchange computation time: 2.6008839607 s
-154.4362784404
Anderson extrapolation: theta=0.6574824964 (0.6574824964)
-931.42735638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.519 s
total exchange = -52.3975649074 (a.u.)
total exchange computation time: 2.6010119915 s
-154.4364926287
Anderson extrapolation: theta=0.7267025774 (0.7267025774)
-931.42736041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3976029726 (a.u.)
total exchange computation time: 2.6000020504 s
-154.4362934451
Anderson extrapolation: theta=0.5885062879 (0.5885062879)
-931.42736253
-116.215497 67.725579 97.984296
559.548879 1031.428569 -410.494961
443.333381 1099.154148 -312.510665
1225.702755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3976536847 (a.u.)
total exchange computation time: 2.6525230408 s
679.33163596
-1084.46405673
89.77736911
-388.73331738
-174.94134079
78.68863565
551.60419304
0.00000000
-931.42736352
4.03461887 -31.06210926 -2.23932448
0.00020027 -0.00055410 0.00010942
-0.00943300 0.00270505 -0.00651503
-11.48625605 -1.66549194 -9.27156186
0.00013853 0.00045800 -0.00002075
-0.01818330 -0.00071249 -0.00888260
-37.49774024 2.42611072 0.19502842
-0.00009193 -0.00015298 0.00022085
-0.01826400 0.01996600 -0.01673508
-11.71985055 -4.17337625 3.92123806
-0.00006688 -0.00006079 0.00018465
0.01355222 -0.00137643 -0.00488427
4.18786634 -3.99436325 9.10240240
-0.00023536 -0.00019986 -0.00032188
0.00185632 -0.00062319 -0.00789804
-32.30121314 -0.35975802 -0.27849504
-0.00050767 0.00011169 0.00028222
0.00543463 -0.03942632 -0.02026306
14.39172269 12.53582725 -13.71413927
-0.00033618 -0.00012458 0.00006203
0.04881514 -0.00388170 0.01148183
-7.72147816 6.07076558 2.65807493
-0.00005330 0.00007137 0.00017473
-0.00232391 -0.02285805 -0.05541249
7.46969137 12.42255278 -5.94572722
-0.00028823 -0.00036739 -0.00017776
0.01820128 0.01237003 0.00333957
8.82127889 9.92074744 -18.97054861
-0.00005284 0.00007340 -0.00010867
0.00957747 -0.00327382 -0.02995974
23.22231454 17.32488280 -2.22659100
-0.00026781 -0.00005899 -0.00010536
0.01038046 0.01255874 -0.00212173
2.12516138 16.83057315 -19.60888560
-0.00019317 -0.00002479 -0.00018900
0.02633555 -0.01466473 -0.01962408
14.01210921 -1.08430342 -5.72462803
-0.00012463 0.00028694 -0.00023189
-0.00730849 0.00104415 0.01990888
-16.06269737 -1.37949062 3.23269510
0.00012343 0.00019180 0.00014632
0.01874442 -0.00443481 0.00237301
-16.45664494 -2.03845377 18.88274813
0.00049847 -0.00025525 -0.00030975
-0.00516913 -0.01381007 -0.00268806
0.43346685 2.03953993 -4.85854242
0.00015123 0.00015364 0.00023210
0.00936343 0.04115986 0.00462482
22.69277698 -7.11115913 -8.82955621
0.00025028 0.00006470 0.00006468
0.01460721 -0.01586273 -0.00396731
-0.74379336 -6.31652373 7.25431214
-0.00016457 0.00005766 0.00005510
0.01908831 -0.00840244 0.00533684
-1.73546523 -1.36040435 -19.33021437
0.00011082 -0.00001190 0.00006664
-0.01803908 -0.02400444 -0.02138623
3.20898662 1.83651025 -9.30830166
-0.00010365 -0.00031583 0.00010785
0.00039795 -0.00299721 0.02020249
-3.82128151 17.73607044 12.30172058
0.00011607 -0.00005924 -0.00000972
-0.00583277 0.04134547 0.02185215
-3.84477051 5.01656428 -11.10170199
0.00000905 0.00013166 -0.00019168
0.02675289 0.00919053 0.01947653
-7.95457672 2.84699780 -8.96455725
0.00024909 -0.00018871 0.00003675
0.01871150 -0.00037735 0.01888996
2.36764850 27.46236647 8.71144586
0.00016342 0.00005379 0.00034033
0.00739050 0.00800380 -0.02201763
9.67392739 -6.24288141 -1.80426980
-0.00027291 -0.00007346 0.00012169
-0.00832606 0.02342100 -0.01107787
-8.73612183 0.81274991 6.02245040
0.00017185 0.00008161 0.00000967
0.02232652 -0.00381261 0.00152884
20.37412159 10.84082176 8.81553646
0.00015133 0.00016248 -0.00021700
0.00715430 -0.01791256 0.00943338
-2.11212091 -2.13853399 -27.40307427
0.00025021 0.00002513 -0.00040697
-0.03215802 -0.01303484 0.01192769
-14.30413923 6.15348036 7.82524968
0.00011021 -0.00010153 0.00027170
-0.00400342 0.01161821 -0.00181566
-9.55583334 7.29394247 -2.40070270
-0.00004855 -0.00013181 0.00045329
-0.02903678 -0.01826972 0.02631542
-1.80665134 -15.39079207 23.44481855
-0.00011304 0.00035019 -0.00032761
0.03941717 0.00816281 -0.00805318
-2.69083679 6.32676535 -6.21148521
-0.00002750 0.00001150 0.00017286
-0.02372095 0.00485098 -0.00057186
-20.17954285 30.72535258 4.18786693
-0.00031003 -0.00070736 -0.00009101
0.05077672 -0.00210720 -0.01034858
7.64887189 0.27404970 7.67315301
0.00015660 0.00020972 -0.00028781
0.01364325 0.01432761 0.03127189
5.73352621 11.53556269 -13.52660774
0.00019595 -0.00014134 0.00037571
0.00279579 -0.02351381 -0.00296507
15.52941319 2.76495571 -1.82791554
0.00007848 -0.00000546 0.00021932
0.00539876 0.00246959 -0.00035227
-4.40331087 13.31906574 -0.80790435
-0.00010137 -0.00033782 0.00012689
0.00208470 0.00303433 -0.01890820
4.68561466 12.41535681 2.90130919
0.00030636 0.00013993 -0.00052049
0.01733425 0.05323527 -0.01748587
25.07144244 -11.56707931 -9.89575946
0.00003911 0.00018674 -0.00015882
-0.03944161 -0.00009631 0.02985029
16.65523884 -3.66236817 -0.64026976
0.00032020 0.00031872 -0.00027688
0.01727078 -0.00922539 -0.00114148
13.11548804 7.97756909 10.14855438
0.00033853 0.00001002 0.00028947
0.02674129 -0.00508658 -0.03427986
1.59558485 -14.01790214 17.61812115
0.00007303 -0.00015269 -0.00016055
0.00731826 -0.02938006 -0.01909057
-3.93206961 -0.71967364 -14.23365105
0.00050296 0.00003238 0.00005210
-0.02794638 -0.00622786 0.06309470
15.05904707 -7.58472359 -8.88632602
-0.00022787 0.00019430 0.00007803
0.00505609 -0.00331237 0.03085408
8.40495943 -7.02342921 8.87095170
-0.00016377 -0.00017478 0.00023108
0.01167417 0.01781841 -0.01699476
-21.14512385 2.28802182 22.77368329
0.00019179 0.00006524 0.00003208
-0.00822818 0.00915146 -0.02360328
25.68376471 -3.24657274 -8.10988529
-0.00000947 0.00016853 -0.00022576
0.01234120 0.01636948 0.00945520
9.87811485 -13.96305662 -8.23812495
0.00005999 0.00018405 -0.00039965
-0.00625420 -0.03988335 0.01900637
-6.73177245 -12.44983462 16.97040324
-0.00009212 0.00003267 -0.00000975
0.02481292 0.02447391 0.01234318
7.89585279 3.18158941 -29.34485642
-0.00046514 -0.00026427 0.00005997
0.02422222 -0.01899134 0.01017131
10.94119197 15.45094737 15.36636635
0.00029060 0.00029879 -0.00006971
-0.01438598 0.01469622 0.00828261
28.69376964 6.19695273 -3.36802980
0.00008341 0.00018655 -0.00029230
0.01054423 -0.01528529 -0.00466620
5.38622223 -31.48761078 -3.42941881
-0.00052060 -0.00064931 -0.00014289
0.00238333 -0.00271879 0.00494129
4.51235045 -31.29702706 -0.47646071
0.00054067 0.00052965 -0.00015361
0.00236473 -0.00802939 0.00035288
-11.85914358 -3.41265194 -8.85346444
-0.00077855 -0.00012942 -0.00061147
-0.00031810 -0.00253757 -0.00266481
-12.51003642 -1.24357169 -10.75075027
-0.00006092 0.00062539 -0.00055344
0.00618476 -0.00188595 0.00756495
-39.05641583 1.96487224 1.08725777
0.00042551 0.00020083 0.00036579
0.01306068 0.00872955 -0.00669678
-37.95502314 3.89644337 -0.95854292
-0.00011755 0.00035851 -0.00039843
0.00724773 -0.02097938 0.01918119
-10.58031913 -5.62767924 3.44954260
0.00007194 -0.00092348 -0.00062525
-0.01179924 0.01708403 0.00317186
-10.73240278 -2.62851508 3.69911898
-0.00006864 0.00058219 0.00034732
0.00099714 -0.01173342 0.00486879
4.63007957 -2.37550322 8.37122421
-0.00061395 0.00105268 -0.00039362
0.00185419 -0.00152995 -0.00247707
4.23951091 -3.64609989 10.90049690
-0.00128240 -0.00037454 -0.00001918
0.00045300 -0.00453204 0.00581162
-33.69088936 -1.53238157 -0.29996995
-0.00085374 0.00074006 0.00103757
-0.00323005 -0.00011067 -0.00153978
-32.78005811 0.88065524 0.87575028
-0.00077295 0.00104202 0.00028219
-0.01086804 0.03014176 0.02027447
14.08870234 12.66145579 -15.52272025
-0.00108644 0.00021615 0.00198756
0.00222295 0.00143928 -0.00247391
16.29803025 12.27086802 -13.50363032
0.00052341 0.00063154 -0.00013592
-0.04015764 0.00439766 -0.01218970
-8.65574536 7.32850023 1.63133795
0.00051305 0.00027148 0.00017045
0.01076504 -0.00922583 0.01209242
-7.39467540 4.78475715 1.17281461
0.00013304 0.00027557 -0.00046384
-0.00594419 0.02688357 0.04102180
6.09258990 12.34760510 -7.10874924
-0.00028179 0.00017330 -0.00101610
-0.00351587 0.00145633 -0.01084212
8.88652038 13.62122986 -6.69099444
0.00014141 -0.00028501 0.00002440
-0.01743736 -0.01630616 0.00785421
8.47317898 8.72947882 -20.35956824
-0.00018739 -0.00084746 0.00018661
0.00443459 0.00865175 0.01418667
10.06527089 11.13615545 -19.70210416
0.00098179 -0.00003863 0.00035670
-0.00363063 -0.01483534 0.01266555
23.93984461 15.70414087 -2.67950953
0.00064192 0.00095104 -0.00020811
0.00207368 -0.01774220 -0.00474390
24.77664035 18.32661590 -2.39550543
-0.00060993 0.00062424 -0.00088527
-0.00847984 0.00699702 -0.00605775
1.80448639 16.86546215 -21.48952229
0.00057609 0.00019810 0.00084583
-0.00834038 0.00233144 0.02417703
3.54140764 15.54079951 -19.51871043
0.00054423 0.00039519 -0.00068669
-0.02526902 0.01378687 0.00958011
12.46399828 -1.00047206 -6.74011311
0.00043263 -0.00141618 -0.00091828
0.00908861 -0.00226940 -0.00773544
13.38535938 -0.92718261 -4.00272449
0.00022935 0.00038752 0.00029644
0.00131915 -0.00503444 -0.00755633
-17.52862856 -2.15422524 2.53007374
-0.00089175 0.00019302 -0.00034281
-0.01208116 -0.01347291 0.00307482
-14.65354958 -2.59848259 3.12323841
-0.00064228 -0.00064353 -0.00141701
-0.01171596 0.00108901 0.00162552
-16.68292212 -0.73665342 20.12004474
-0.00047935 -0.00011411 -0.00029187
0.00363547 0.01991034 0.00604493
-15.33221255 -3.20544902 19.70080039
0.00092730 -0.00040918 0.00081760
0.00719757 -0.00448053 0.00063720
-0.44810255 0.44763834 -4.88691077
0.00009601 0.00016477 0.00014706
-0.01935367 -0.01380827 -0.00606589
-0.80677716 3.44487118 -4.95437481
-0.00052344 -0.00093193 0.00008130
0.00575966 -0.01998783 -0.00147394
23.47526961 -8.82068029 -9.12236888
-0.00035894 -0.00063006 -0.00017211
-0.00679629 0.02672859 0.00069064
24.07678677 -5.85786542 -8.64364309
-0.00024567 0.00063988 0.00055943
-0.01413106 -0.01113185 0.00170141
0.22646463 -6.22436875 5.68136624
-0.00021728 -0.00036246 0.00030687
-0.00700923 0.00173336 0.00281550
0.61034805 -6.20330526 8.52491628
0.00085460 -0.00106689 -0.00084687
-0.01101134 0.00709816 -0.00767957
-0.56198550 -2.79631310 -19.29583977
-0.00030185 0.00090619 -0.00109147
-0.00279674 0.01036380 0.00481379
-3.01401299 -1.96237384 -20.61564826
-0.00004286 -0.00059641 0.00004354
0.01361798 0.00999689 0.01886764
2.63290992 2.80949373 -10.71859577
0.00029422 0.00122921 0.00053360
-0.00094552 0.00634594 -0.01480193
2.12713258 2.27694832 -7.86003520
0.00009871 -0.00171733 -0.00029480
-0.00154495 -0.00416715 -0.00045395
-2.28647485 16.80014229 12.36747844
0.00110131 -0.00062757 -0.00031722
0.02504483 -0.02223121 -0.00341193
-3.57399959 18.76001503 13.88887152
-0.00064073 -0.00084916 0.00061731
-0.00490744 -0.00828195 -0.02229032
-5.19625246 6.18600781 -11.22336392
-0.00009169 -0.00156414 0.00069694
-0.01963807 0.01366308 -0.01147103
-4.03159897 3.75585964 -12.33970149
-0.00119607 0.00092462 0.00084885
-0.00127211 -0.01816588 -0.02147635
-7.60165733 1.96563981 -7.35059458
0.00013906 -0.00080104 0.00016407
-0.01129384 0.00105224 -0.01746781
-6.22703680 3.33209707 -9.41560907
-0.00115163 -0.00042448 -0.00001572
-0.01177294 -0.00078654 -0.00050427
2.91190632 28.15818409 7.04371460
0.00047884 -0.00022997 -0.00029263
-0.01106689 -0.01408471 0.02445717
0.96502709 28.50049396 9.20449188
0.00088728 0.00067500 -0.00049245
-0.00467759 0.00102216 -0.00047349
10.62450405 -7.40936628 -0.82309237
-0.00038927 0.00047176 -0.00021273
0.00846028 -0.01295480 0.01239730
8.51774375 -7.16126714 -2.86374829
-0.00012966 -0.00028803 0.00053968
-0.00244510 -0.00998045 0.00194584
-7.01960050 0.40876733 6.66506297
-0.00088947 -0.00062679 0.00070397
-0.00181091 0.00248367 -0.00681276
-9.67024541 -0.24436219 7.13044320
-0.00074806 0.00057629 0.00103875
-0.01913810 -0.00820659 0.00905344
21.64332713 10.42297855 10.09616700
-0.00039075 0.00088818 0.00098135
-0.00849181 0.00497955 -0.00386939
20.80817114 12.54229643 8.33907132
-0.00105841 -0.00023982 0.00032150
0.00176106 0.01629201 -0.00777668
-1.17621209 -3.49286234 -26.46933423
0.00128375 -0.00016206 0.00074319
-0.01301756 0.01287182 -0.00512800
-3.90787599 -2.06578306 -26.75044096
0.00051663 0.00020132 0.00040156
0.03688137 -0.00466945 -0.00540266
-13.83283073 7.25288019 9.22323280
0.00017425 0.00034691 0.00005969
0.00063762 -0.00558188 -0.00152605
-15.52503344 7.24045297 6.95543944
0.00015982 0.00047534 0.00095305
0.01351527 -0.00842340 0.00437626
-11.31966355 7.69704707 -2.74790060
-0.00009178 0.00082861 0.00083811
0.01350318 -0.00278781 -0.00327729
-8.45562376 8.20731318 -3.53085649
-0.00018539 0.00014072 -0.00023128
-0.00453055 0.01059020 -0.01425791
-0.92989002 -16.98179216 23.03247486
-0.00036726 0.00078785 -0.00052980
-0.01530030 0.00098930 0.00232169
-3.54362602 -15.53731549 23.79571489
0.00158452 -0.00003064 -0.00097340
-0.02220595 -0.01253501 0.00587566
-2.28732176 6.32326249 -8.01710645
-0.00081183 0.00047892 0.00034655
-0.01400158 -0.00317257 0.00908343
-4.48609296 6.96742028 -5.96137586
-0.00023163 -0.00092598 0.00017882
0.03703654 -0.00622759 -0.00718163
-21.31445827 29.85044814 3.12075123
-0.00044829 -0.00066491 -0.00017519
-0.02818751 -0.01009205 -0.02015629
-21.04900680 31.07952284 5.65455819
0.00015972 -0.00053340 0.00004807
-0.03322573 0.01366843 0.03793879
6.99528113 -0.16402779 6.04175663
-0.00038594 0.00127908 0.00030291
-0.00806008 0.00251152 -0.01771308
7.56658978 2.10618765 7.91714473
-0.00072982 0.00011970 -0.00092399
-0.00587722 -0.01058167 -0.00570326
7.12384963 12.76262338 -13.87543801
-0.00012866 0.00004231 0.00149413
-0.00002207 -0.00068021 0.01063463
4.56499212 11.78401534 -14.86156373
-0.00053368 0.00017321 -0.00118333
-0.00868782 0.00179874 -0.00994924
14.36439626 3.71158432 -2.86866496
-0.00035685 0.00025637 0.00076535
-0.00108216 0.00595880 0.00247643
14.90417855 1.04938296 -1.95825501
-0.00052608 -0.00073037 0.00014386
0.00566049 0.00940452 0.00847287
-2.64617858 12.97736084 -0.45541084
-0.00001353 -0.00086484 0.00012913
-0.00852304 -0.00353490 0.00901672
-5.55651517 13.01002003 0.60921429
-0.00055376 0.00020717 0.00033058
0.00935026 -0.00470555 0.00344836
3.57766675 11.10917364 3.33494011
-0.00111400 0.00055181 -0.00069762
-0.02975546 -0.03466015 0.00576095
6.36331427 11.67143658 2.93802112
-0.00073109 -0.00069096 -0.00000923
0.00935912 -0.00705455 0.00699413
25.26415441 -12.47130558 -8.34144185
0.00029062 0.00038401 -0.00041739
-0.00339633 -0.01102699 0.00899030
26.56575212 -11.69008293 -10.85334197
0.00072813 -0.00026183 0.00003042
0.02988802 0.00372311 -0.02785889
14.94357597 -3.58940863 -0.10976918
0.00039338 0.00093505 0.00143428
-0.01405396 0.00703485 0.00554632
17.04588377 -5.48113435 -0.56175869
-0.00025669 -0.00069528 0.00019091
0.00280775 0.00629703 -0.00545579
12.37753896 7.95044858 11.75762406
-0.00042047 -0.00062903 -0.00054138
-0.02040508 -0.00221438 0.03310220
13.48120311 9.75898221 9.80534798
-0.00000163 0.00014736 -0.00040367
-0.00277322 -0.00366655 -0.00794566
-0.10611499 -14.75125007 17.24694908
0.00032319 -0.00002024 0.00040540
0.00928967 0.01924857 0.00772878
1.51541457 -12.41283484 18.38208205
0.00003391 -0.00006558 0.00058330
-0.00712064 0.01774488 0.01188620
-3.95458814 -2.31651974 -13.19516404
-0.00037263 0.00023191 0.00112863
0.00295219 0.02697798 -0.01493984
-3.36314053 -1.13379990 -15.82528542
0.00017022 -0.00076846 0.00029643
0.02455035 -0.01600157 -0.04741069
14.69195580 -8.20137580 -10.49572263
0.00062053 -0.00025196 -0.00018438
-0.01831554 -0.01482378 -0.03459076
16.31458995 -6.25137436 -9.30484695
0.00056343 0.00134277 0.00101382
0.00785026 0.00568066 0.00705227
6.75185675 -6.06787658 8.68291209
-0.00029658 -0.00023056 -0.00092662
0.02712774 0.00267803 -0.00166577
9.66463326 -6.56749577 7.55815337
0.00058893 -0.00017962 0.00015153
-0.02473550 0.00538013 0.01646248
-21.83514260 2.00685561 21.03385904
0.00002034 -0.00002411 0.00087182
0.01585069 0.00288908 0.01901762
-22.25602735 1.35075742 23.89161325
-0.00093730 0.00051597 -0.00000570
-0.00223637 -0.01013701 0.00032609
26.72557719 -2.94591127 -6.61490394
0.00008694 0.00003052 -0.00020691
-0.00385774 -0.00428805 -0.00404071
25.26105599 -1.51157475 -8.62363900
0.00019715 -0.00032038 -0.00039185
-0.00227299 -0.00067255 -0.00215544
9.62552241 -15.75712240 -7.62856119
0.00087369 0.00023496 -0.00022042
0.00503594 0.02754951 -0.01634123
9.25986009 -12.99441478 -6.81755922
0.00058782 -0.00019824 -0.00009694
-0.00302548 0.00885518 -0.00337729
-5.97541944 -11.28772522 18.27908706
0.00020018 0.00001135 0.00058451
-0.00822192 -0.01246492 -0.02476999
-7.10661575 -11.44911490 15.47589335
0.00046105 -0.00004203 -0.00011470
0.00212439 0.00436864 0.00621403
8.43583860 1.37535831 -29.34109142
-0.00032965 -0.00051243 -0.00037156
-0.01041624 0.02701771 -0.00496988
6.17389929 3.27482327 -29.89652978
-0.00007574 -0.00115079 0.00014155
-0.01199390 -0.01333496 -0.01468776
12.67494438 15.35659273 14.71249098
0.00012696 -0.00092713 -0.00020487
0.01483265 -0.01022737 -0.02031452
11.20042965 15.84913818 17.12362629
0.00023386 0.00044122 0.00116739
-0.00344667 0.00560670 0.00800476
29.24765455 4.81767638 -4.51861848
0.00000791 0.00029462 -0.00016374
0.00554218 0.01003077 0.00762815
26.98429209 6.45033504 -3.93280743
0.00031098 0.00058537 0.00030856
-0.01502755 0.01238450 0.00351419
-9.94275256 4.86542692 6.63967836
-0.00001287 0.00010039 -0.00023856
-0.00165354 0.01302923 0.00088992
-8.74715429 13.33400738 2.59507685
-0.00009710 0.00006252 -0.00000206
-0.00522295 -0.00036106 0.00005921
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09432831
0.33303521
443.75272462
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3934183626 (a.u.)
total exchange computation time: 2.6009268761 s
-154.3953639595
-931.42566507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3930263370 (a.u.)
total exchange computation time: 2.6028399467 s
-154.3988741720
Anderson extrapolation: theta=1.4358343654 (1.4358343654)
-931.42588559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3923197457 (a.u.)
total exchange computation time: 2.6018991470 s
-154.4047950472
Anderson extrapolation: theta=0.0860339719 (0.0860339719)
-931.42603770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3921445900 (a.u.)
total exchange computation time: 2.6017000675 s
-154.4060255887
Anderson extrapolation: theta=2.4954768763 (2.0000000000)
-931.42604969
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3917512859 (a.u.)
total exchange computation time: 2.6009531021 s
-154.4086341495
Anderson extrapolation: theta=0.5022892057 (0.5022892057)
-931.42606701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3915506292 (a.u.)
total exchange computation time: 2.6051001549 s
-154.4098108906
Anderson extrapolation: theta=0.7374336622 (0.7374336622)
-931.42607259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3914232628 (a.u.)
total exchange computation time: 2.6022579670 s
-154.4104084811
Anderson extrapolation: theta=0.6458141576 (0.6458141576)
-931.42607554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3913675540 (a.u.)
total exchange computation time: 2.6010310650 s
-154.4105256886
Anderson extrapolation: theta=0.6120982413 (0.6120982413)
-931.42607680
-116.183511 67.731485 98.037901
559.533759 1031.421559 -410.457493
443.350248 1099.153043 -312.419592
1225.684648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3913554642 (a.u.)
total exchange computation time: 2.5996458530 s
679.23023262
-1084.25816798
89.79185660
-388.87364806
-174.92499502
78.57604046
551.60419304
0.00000000
-931.42607730
4.03758658 -31.07041026 -2.23770829
0.00019469 -0.00055238 0.00010587
-0.01226994 0.00395845 -0.00729709
-11.48424825 -1.65862475 -9.27190733
0.00012825 0.00045663 -0.00002601
-0.02177239 -0.00461048 -0.01156979
-37.49918968 2.42389301 0.19827659
-0.00010073 -0.00014175 0.00021125
-0.01596152 0.02371029 -0.02060166
-11.72080148 -4.17429341 3.92398900
-0.00005898 -0.00006173 0.00018173
0.01716515 -0.00228053 -0.00647347
4.18434313 -3.99736357 9.09754373
-0.00023400 -0.00019843 -0.00032637
0.00343777 0.00616985 -0.00954332
-32.30880729 -0.35823480 -0.27433997
-0.00050523 0.00009304 0.00027321
0.00406923 -0.03306955 -0.01475295
14.38686821 12.53394362 -13.71316459
-0.00030974 -0.00012684 0.00007131
0.05403663 -0.00491849 0.02462408
-7.72228665 6.07174800 2.66048215
-0.00005428 0.00005931 0.00014609
-0.00148297 -0.02403862 -0.05596610
7.46543819 12.41708958 -5.94838069
-0.00027946 -0.00036088 -0.00017690
0.01586975 0.01295034 -0.00001025
8.82052322 9.92183586 -18.97229427
-0.00004768 0.00007154 -0.00012443
0.01048853 -0.00396672 -0.03132225
23.21833744 17.32404640 -2.22817951
-0.00026244 -0.00005149 -0.00010650
0.01049632 0.01659070 -0.00234329
2.12236548 16.83014470 -19.61179626
-0.00017894 -0.00003255 -0.00019769
0.02896994 -0.01549619 -0.01418604
14.01021153 -1.07999534 -5.72802966
-0.00012796 0.00028747 -0.00022092
-0.00564981 0.00103568 0.02276465
-16.06077367 -1.37663066 3.23489902
0.00013117 0.00018829 0.00014646
0.01137109 -0.00925239 -0.00182332
-16.44918789 -2.04233577 18.87809154
0.00049684 -0.00026303 -0.00031002
-0.00115427 -0.01646512 0.00164045
0.43577146 2.04200325 -4.85504314
0.00015607 0.00017403 0.00023448
0.00944732 0.03815694 0.00463429
22.69658760 -7.11024975 -8.82860136
0.00025754 0.00005621 0.00006256
0.01359016 -0.01717635 -0.00424816
-0.74618832 -6.31569129 7.25515930
-0.00015465 0.00005327 0.00005819
0.01950446 -0.00866719 0.00667971
-1.73387247 -1.36067544 -19.32929719
0.00010014 -0.00002315 0.00005523
-0.02352080 -0.01976297 -0.02298540
3.20743343 1.83176124 -9.30660599
-0.00010295 -0.00031727 0.00011651
0.00233154 -0.00261222 0.01349460
-3.81956294 17.73534135 12.30165902
0.00011475 -0.00003940 0.00000155
0.00068400 0.03578414 0.02198610
-3.84453155 5.01857460 -11.10450203
0.00002462 0.00013681 -0.00018003
0.03379533 0.01082678 0.02580200
-7.95076826 2.84416575 -8.96393319
0.00025645 -0.00018978 0.00004742
0.00991003 -0.00378149 0.02261234
2.37012827 27.46320423 8.71646591
0.00016811 0.00005776 0.00032803
0.01086237 0.00741338 -0.02582930
9.66980158 -6.24389293 -1.80248725
-0.00027759 -0.00006050 0.00011553
-0.00984956 0.02695677 -0.01285634
-8.73345802 0.81395928 6.02260134
0.00018142 0.00007860 0.00001148
0.01491317 -0.00787224 0.00551960
20.37641917 10.84318993 8.81231789
0.00015494 0.00015177 -0.00021133
0.00686059 -0.02373489 0.01258454
-2.10849183 -2.13820726 -27.40913280
0.00023458 0.00001732 -0.00039994
-0.02863285 -0.01736161 0.01541676
-14.30250149 6.15200219 7.82931821
0.00010819 -0.00009523 0.00027101
-0.00387316 0.01289812 -0.00086151
-9.55667365 7.29189492 -2.39380183
-0.00006318 -0.00014053 0.00046606
-0.02783872 -0.01567031 0.02333312
-1.80819485 -15.38550776 23.43987335
-0.00008915 0.00035518 -0.00033244
0.05347341 0.01123144 -0.01072579
-2.69134085 6.32695654 -6.20889446
-0.00003988 0.00001392 0.00017304
-0.02441799 0.00455566 0.00125432
-20.18399742 30.71473411 4.18646181
-0.00028404 -0.00070850 -0.00009657
0.05028371 -0.00233867 -0.01127266
7.65127348 0.27725081 7.66895645
0.00016384 0.00021740 -0.00027107
0.01452208 0.01553632 0.03381680
5.73647620 11.53335187 -13.52098355
0.00019456 -0.00015346 0.00037164
-0.00817422 -0.02361751 -0.01284927
15.53061126 2.76488328 -1.82462713
0.00008061 -0.00000561 0.00021894
0.00287512 -0.00302136 -0.00110993
-4.40482340 13.31401012 -0.80607390
-0.00010036 -0.00033638 0.00011761
0.00185881 0.00258024 -0.01718817
4.69027696 12.41766105 2.89343445
0.00031320 0.00016648 -0.00052911
0.00927183 0.05003391 -0.01604618
25.07187689 -11.56427860 -9.89802661
0.00001994 0.00018679 -0.00014457
-0.03507512 0.00031004 0.02557107
16.66010846 -3.65762301 -0.64442739
0.00032833 0.00031263 -0.00027703
0.01435393 -0.01442677 0.00055874
13.12066921 7.97769982 10.15276421
0.00035272 0.00000755 0.00027087
0.02844050 -0.00454746 -0.03803505
1.59670852 -14.02030589 17.61563933
0.00007725 -0.00016654 -0.00016975
0.00908356 -0.02447828 -0.01671963
-3.92463294 -0.71921194 -14.23262610
0.00048844 0.00002888 0.00008502
-0.02854608 -0.00737907 0.06490855
15.05564847 -7.58182188 -8.88503653
-0.00022446 0.00019332 0.00009313
0.00822382 -0.00050338 0.02784585
8.40254789 -7.02598223 8.87435227
-0.00015740 -0.00016520 0.00022173
0.01311586 0.01944908 -0.01933957
-21.14227871 2.28903571 22.77407348
0.00018722 0.00006955 0.00002150
-0.00955040 0.00762923 -0.01756695
25.68367033 -3.24398164 -8.11323523
-0.00000296 0.00017616 -0.00022064
0.01295361 0.01329242 0.01046202
9.87899059 -13.96044972 -8.24404639
0.00005694 0.00016353 -0.00039008
-0.00561373 -0.03991813 0.01820619
-6.73305860 -12.44925013 16.97030458
-0.00007915 0.00004544 -0.00000274
0.02562893 0.02516550 0.01491671
7.88896912 3.17755205 -29.34391758
-0.00045186 -0.00027458 0.00006537
0.02743744 -0.02110220 0.01081874
10.94549554 15.45548597 15.36535268
0.00028303 0.00030667 -0.00006316
-0.01508250 0.01592089 0.01717862
28.69506139 6.19969194 -3.37243234
0.00008938 0.00017883 -0.00029414
0.01269931 -0.01471756 -0.00245987
5.37848620 -31.49743374 -3.43141068
-0.00050684 -0.00066135 -0.00012533
0.00435356 -0.00317272 0.00365059
4.52053290 -31.28932830 -0.47875399
0.00055180 0.00049573 -0.00014861
0.00308778 -0.00857580 0.00209345
-11.87083157 -3.41467095 -8.86271821
-0.00077719 -0.00013165 -0.00062334
0.00098171 0.00144675 -0.00314150
-12.51076074 -1.23424867 -10.75882007
-0.00003120 0.00061676 -0.00051636
0.00836481 -0.00233820 0.01058679
-39.04963290 1.96815225 1.09253934
0.00047295 0.00023479 0.00034137
0.01015934 0.00789062 -0.00525589
-37.95656434 3.90117822 -0.96393157
-0.00008651 0.00026750 -0.00031572
0.00794598 -0.02357398 0.02130323
-10.57960154 -5.64100800 3.44026106
0.00001936 -0.00084551 -0.00060966
-0.01394024 0.02108676 0.00445712
-10.73340178 -2.62014178 3.70447801
-0.00006767 0.00052750 0.00036776
-0.00052224 -0.01503796 0.00513637
4.62092721 -2.35975997 8.36524398
-0.00060977 0.00103226 -0.00039677
0.00018975 -0.00846371 0.00093725
4.22028883 -3.65185687 10.90038731
-0.00127978 -0.00039339 0.00000040
0.00082998 -0.00469627 0.00377153
-33.70379444 -1.52128403 -0.28445357
-0.00086854 0.00073742 0.00103049
-0.00401458 -0.00118467 -0.00192709
-32.79198540 0.89720913 0.88060448
-0.00081247 0.00115464 0.00035436
-0.00847578 0.02498697 0.01505307
14.07247386 12.66474210 -15.49298258
-0.00108080 0.00022379 0.00195159
0.00053974 0.00230155 -0.01513497
16.30465087 12.28047588 -13.50604270
0.00035238 0.00064942 -0.00018689
-0.04356435 0.00435569 -0.01275874
-8.64771974 7.33228974 1.63426532
0.00055536 0.00023555 0.00021890
0.00994531 -0.00836238 0.01162042
-7.39286193 4.78971456 1.16711403
0.00010845 0.00038583 -0.00029401
-0.00609139 0.02708963 0.04211392
6.08825530 12.35024930 -7.12432299
-0.00028935 0.00017960 -0.00105432
-0.00018310 0.00162483 -0.00786796
8.88810715 13.61645507 -6.69038778
0.00006947 -0.00035162 0.00005730
-0.01777679 -0.01630195 0.00825157
8.47050399 8.71703200 -20.35633435
-0.00016714 -0.00080750 0.00024751
0.00548009 0.01091002 0.01562607
10.07988643 11.13512145 -19.69636554
0.00096277 -0.00010285 0.00040862
-0.00567556 -0.01660322 0.01274981
23.94953700 15.71786274 -2.68277653
0.00065185 0.00087080 -0.00022899
0.00278794 -0.02153171 -0.00547965
24.76723153 18.33619390 -2.40897006
-0.00064614 0.00065245 -0.00090868
-0.00924665 0.00681443 -0.00540378
1.81287215 16.86850504 -21.47609405
0.00053902 0.00020795 0.00093240
-0.00980361 0.00249190 0.01820382
3.54879672 15.54714982 -19.52871723
0.00043950 0.00045233 -0.00064625
-0.02599649 0.01418176 0.01021781
12.47076629 -1.02178423 -6.75412439
0.00046673 -0.00142438 -0.00094871
0.00759963 -0.00174475 -0.00715935
13.38884000 -0.92152411 -3.99850937
0.00023436 0.00036626 0.00025869
0.00113269 -0.00537104 -0.01092673
-17.54237502 -2.15174276 2.52502587
-0.00092766 0.00014653 -0.00032348
-0.00549586 -0.00928299 0.00638641
-14.66354280 -2.60810213 3.10203314
-0.00068900 -0.00063737 -0.00140813
-0.01115291 0.00192594 0.00272006
-16.69000101 -0.73775499 20.11585191
-0.00046369 -0.00003610 -0.00027009
0.00403028 0.01827621 0.00461815
-15.31808255 -3.21172394 19.71308391
0.00094791 -0.00041846 0.00081386
0.00289476 -0.00006485 -0.00246605
-0.44725550 0.44968680 -4.88489075
0.00001868 0.00010834 0.00012238
-0.01850088 -0.01381800 -0.00601344
-0.81445232 3.43027975 -4.95320051
-0.00050153 -0.00100799 0.00007482
0.00496730 -0.01724588 -0.00169497
23.46967723 -8.82931220 -9.12492934
-0.00038585 -0.00051590 -0.00016840
-0.00637707 0.02915562 0.00112499
24.07266869 -5.84860840 -8.63519943
-0.00030213 0.00059249 0.00056576
-0.01350712 -0.01206358 0.00139484
0.22299063 -6.22975258 5.68605556
-0.00024548 -0.00035492 0.00031375
-0.00679428 0.00195936 0.00055359
0.62282959 -6.21909105 8.51197785
0.00080823 -0.00103729 -0.00087649
-0.01168557 0.00739026 -0.00681774
-0.56659894 -2.78240262 -19.31206436
-0.00030312 0.00093787 -0.00107004
0.00217259 0.00514196 0.00567631
-3.01423855 -1.97101366 -20.61441693
0.00001322 -0.00055336 0.00012190
0.01383360 0.01107580 0.01948675
2.63729431 2.82812640 -10.71104540
0.00029227 0.00125132 0.00047848
-0.00001206 0.00447449 -0.01217710
2.12856585 2.25106073 -7.86447113
0.00008641 -0.00173040 -0.00028879
-0.00447677 -0.00223111 0.00339505
-2.26918771 16.79004752 12.36261564
0.00118784 -0.00070805 -0.00033038
0.01731100 -0.01716278 -0.00303024
-3.58376088 18.74702382 13.89744813
-0.00065846 -0.00088210 0.00052649
-0.00377203 -0.00784245 -0.02216786
-5.19822951 6.16296438 -11.21326136
-0.00018548 -0.00149471 0.00065102
-0.02627545 0.02032355 -0.01100722
-4.04957905 3.76917224 -12.32762689
-0.00120198 0.00083411 0.00074718
-0.00161766 -0.02613845 -0.02829099
-7.59991752 1.95365650 -7.34866885
0.00009240 -0.00079481 0.00008928
-0.01154500 0.00199369 -0.01914168
-6.24467208 3.32570575 -9.41586030
-0.00118138 -0.00042312 -0.00002170
-0.00278721 0.00145230 -0.00242497
2.91874984 28.15430300 7.04007460
0.00043248 -0.00028998 -0.00018761
-0.01162965 -0.01529070 0.02695153
0.97819298 28.51065029 9.19709062
0.00086237 0.00068286 -0.00049149
-0.00751493 0.00282689 0.00094237
10.61892430 -7.40268684 -0.82590346
-0.00034929 0.00041289 -0.00015643
0.01110905 -0.01586322 0.01516450
8.51572385 -7.16589338 -2.85559346
-0.00014213 -0.00033018 0.00054515
-0.00365772 -0.01065487 0.00073154
-7.03299807 0.39944154 6.67541378
-0.00088829 -0.00061717 0.00067742
0.00238958 0.00222835 -0.00618443
-9.68205283 -0.23596937 7.14630188
-0.00081952 0.00055171 0.00106602
-0.01583990 -0.00382319 0.00429676
21.63720568 10.43645380 10.11076874
-0.00042785 0.00090906 0.00096206
-0.00966773 0.00524389 -0.00557750
20.79234888 12.53919840 8.34365554
-0.00104791 -0.00016229 0.00028668
0.00338226 0.02165873 -0.00927027
-1.15735468 -3.49489888 -26.45834346
0.00122396 -0.00010104 0.00071572
-0.01625182 0.01699901 -0.00831880
-3.89899642 -2.06290640 -26.74458305
0.00066652 0.00018210 0.00037923
0.03649397 -0.00473645 -0.00552995
-13.83019744 7.25791284 9.22408146
0.00017762 0.00032205 0.00005330
0.00101153 -0.00658686 -0.00160329
-15.52222202 7.24732498 6.96986932
0.00021388 0.00044058 0.00096895
0.01294707 -0.00859447 0.00340615
-11.32062643 7.70939076 -2.73542933
-0.00003511 0.00081595 0.00082556
0.01423394 -0.00341015 -0.00286993
-8.45854350 8.20974853 -3.53476261
-0.00020718 0.00018035 -0.00028489
-0.00613420 0.00880781 -0.01198413
-0.93586783 -16.96994404 23.02459903
-0.00042608 0.00078759 -0.00052196
-0.01349186 -0.00111814 0.00151742
-3.52053875 -15.53815927 23.78129395
0.00146141 -0.00008392 -0.00094292
-0.03805310 -0.01354153 0.00904423
-2.29992819 6.33034905 -8.01162987
-0.00086641 0.00046532 0.00037891
-0.01271905 -0.00348515 0.00675614
-4.48843257 6.95333977 -5.95891369
-0.00008177 -0.00095045 0.00015049
0.03632362 -0.00575048 -0.00668538
-21.32204634 29.84016519 3.11750570
-0.00056160 -0.00070403 -0.00025472
-0.02728185 -0.00905639 -0.01877165
-21.04762921 31.07194061 5.65644184
0.00002402 -0.00047785 0.00020240
-0.03320045 0.01352767 0.03760347
6.98924501 -0.14476457 6.04575744
-0.00042114 0.00128391 0.00022253
-0.00916937 -0.00014962 -0.02163346
7.55546233 2.10765883 7.90311006
-0.00075251 0.00007914 -0.00094407
-0.00522701 -0.00927122 -0.00412541
7.12191905 12.76323718 -13.85270024
-0.00012569 0.00004231 0.00153492
0.00147725 0.00067951 0.00933484
4.55672072 11.78666867 -14.87961863
-0.00054936 0.00017720 -0.00120249
0.00101116 0.00015378 0.00057363
14.35901038 3.71561243 -2.85710876
-0.00036050 0.00027964 0.00077598
-0.00070638 0.00543545 0.00272351
14.89646086 1.03871566 -1.95583749
-0.00049858 -0.00067935 0.00017963
0.00779816 0.01556911 0.00903870
-2.64664275 12.96427988 -0.45319753
-0.00005101 -0.00087851 0.00016568
-0.00982347 -0.00315564 0.00887384
-5.56453499 13.01298331 0.61427862
-0.00051278 0.00018817 0.00034151
0.01070566 -0.00459274 0.00190107
3.56004499 11.11638873 3.32465240
-0.00122811 0.00041908 -0.00067727
-0.02610515 -0.03031083 0.00419614
6.35263468 11.66085601 2.93809695
-0.00068441 -0.00072307 0.00001919
0.01349445 -0.00866304 0.00692021
25.26840963 -12.46588333 -8.34742727
0.00027617 0.00033662 -0.00037606
-0.00367489 -0.01217230 0.01124462
26.57758998 -11.69389633 -10.85373939
0.00084081 -0.00024501 -0.00007914
0.02526797 0.00450929 -0.02576865
14.94904605 -3.57516736 -0.08808506
0.00034414 0.00096352 0.00145445
-0.01005138 0.00690279 0.00432763
17.04211951 -5.49137063 -0.55906220
-0.00024707 -0.00065870 0.00016766
0.00190067 0.01161032 -0.00592758
12.37060670 7.94094530 11.75051765
-0.00050610 -0.00063649 -0.00040103
-0.02151342 -0.00143857 0.03560267
13.48109371 9.76108030 9.79904947
-0.00001375 0.00012971 -0.00043363
-0.00316001 -0.00497383 -0.00672205
-0.10098254 -14.75096390 17.25326688
0.00035728 0.00005602 0.00043576
0.00740213 0.01808382 0.00713124
1.51570502 -12.41327471 18.39119577
0.00000548 -0.00000066 0.00062835
-0.00679722 0.01403302 0.01016557
-3.96008707 -2.31221437 -13.17869234
-0.00035946 0.00034517 0.00106428
0.00349072 0.02846059 -0.01656291
-3.35983495 -1.14581719 -15.82229174
0.00026992 -0.00083489 0.00010356
0.02425417 -0.01651572 -0.04700227
14.70070249 -8.20560951 -10.49954826
0.00054844 -0.00030894 -0.00031991
-0.01697389 -0.01306487 -0.03175390
16.32328198 -6.23105881 -9.28942352
0.00058750 0.00135628 0.00104208
0.00393089 0.00093355 0.00677834
6.74823934 -6.07125295 8.66896176
-0.00018430 -0.00021996 -0.00093203
0.02783152 0.00251032 -0.00098132
9.67270926 -6.57002516 7.56093082
0.00048338 -0.00015955 0.00022283
-0.02693467 0.00444373 0.01843883
-21.83435183 2.00658255 21.04751903
0.00008266 -0.00001289 0.00094026
0.01465576 0.00260219 0.01448585
-22.27015544 1.35818629 23.89153775
-0.00094145 0.00047789 -0.00000708
0.00020537 -0.00850059 -0.00100102
26.72676312 -2.94558482 -6.61813138
0.00007120 0.00001308 -0.00022379
-0.00384765 -0.00425120 -0.00422121
25.26394358 -1.51640105 -8.62958275
0.00018644 -0.00031732 -0.00040209
-0.00296870 0.00217214 -0.00285838
9.63878204 -15.75275387 -7.63236831
0.00089322 0.00034573 -0.00028691
0.00452698 0.02667566 -0.01620163
9.26858473 -12.99711708 -6.81911675
0.00057452 -0.00016060 -0.00010927
-0.00348902 0.00957335 -0.00266241
-5.97266865 -11.28793697 18.28709574
0.00016441 -0.00004217 0.00047938
-0.00928671 -0.01373188 -0.02669535
-7.09963487 -11.44961150 15.47436319
0.00046945 -0.00002309 -0.00009004
0.00198438 0.00490369 0.00585977
8.43057465 1.36849973 -29.34681709
-0.00037158 -0.00039945 -0.00039100
-0.01010899 0.02828746 -0.00454854
6.17239561 3.25715280 -29.89485666
-0.00013142 -0.00120342 0.00007978
-0.01525953 -0.01242647 -0.01554729
12.67730326 15.34237243 14.70879537
0.00018839 -0.00096816 -0.00028692
0.01523952 -0.00985892 -0.01984539
11.20383187 15.85592830 17.14138236
0.00021813 0.00046000 0.00118130
-0.00425111 0.00358731 -0.00119479
29.24794309 4.82240308 -4.52084083
0.00003049 0.00033379 -0.00013462
0.00550736 0.00914379 0.00662703
26.98849629 6.45949508 -3.92807138
0.00024515 0.00063591 0.00032073
-0.01719572 0.01235692 0.00244447
-9.94295011 4.86696782 6.63610235
-0.00001345 0.00010507 -0.00023823
-0.00156881 0.01309946 0.00093215
-8.74861995 13.33494458 2.59504605
-0.00009832 0.00006245 -0.00000205
-0.00526598 -0.00027167 -0.00000370
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09428764
0.33178966
442.09308361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3865350392 (a.u.)
total exchange computation time: 2.5970029831 s
-154.3726717193
-931.42328440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3862500183 (a.u.)
total exchange computation time: 2.5970139503 s
-154.3757388335
Anderson extrapolation: theta=1.3496757456 (1.3496757456)
-931.42348612
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3857665329 (a.u.)
total exchange computation time: 2.5975389481 s
-154.3806908352
Anderson extrapolation: theta=0.0533971939 (0.0533971939)
-931.42360745
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3856597418 (a.u.)
total exchange computation time: 2.5959889889 s
-154.3816467819
Anderson extrapolation: theta=1.9296065922 (1.9296065922)
-931.42361191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3854233865 (a.u.)
total exchange computation time: 2.5969729424 s
-154.3836825142
Anderson extrapolation: theta=0.2265342899 (0.2265342899)
-931.42361642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3853573931 (a.u.)
total exchange computation time: 2.5967061520 s
-154.3841845883
Anderson extrapolation: theta=1.8633730397 (1.8633730397)
-931.42361726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3852495815 (a.u.)
total exchange computation time: 2.5971438885 s
-154.3849377008
Anderson extrapolation: theta=0.3022557819 (0.3022557819)
-931.42361828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3852339652 (a.u.)
total exchange computation time: 2.5967009068 s
-154.3849810542
Anderson extrapolation: theta=1.3578575777 (1.3578575777)
-931.42361859
-116.156339 67.735843 98.081323
559.514779 1031.414781 -410.420145
443.358440 1099.150624 -312.338822
1225.664856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3852264309 (a.u.)
total exchange computation time: 2.5967299938 s
679.13415887
-1084.06325230
89.80603119
-389.00607649
-174.90925374
78.46963171
551.60419304
0.00000000
-931.42361891
4.04045963 -31.07868073 -2.23614839
0.00018771 -0.00055007 0.00010201
-0.01489152 0.00504343 -0.00772978
-11.48240841 -1.65179312 -9.27234207
0.00011623 0.00045327 -0.00003255
-0.02498313 -0.00845389 -0.01387989
-37.50076226 2.42185822 0.20136583
-0.00010819 -0.00012876 0.00019974
-0.01304492 0.02681132 -0.02415744
-11.72161999 -4.17522816 3.92669000
-0.00004941 -0.00006309 0.00017805
0.02006252 -0.00299672 -0.00783868
4.18084644 -4.00031629 9.09261143
-0.00023189 -0.00019363 -0.00033157
0.00475614 0.01249616 -0.01068181
-32.31637004 -0.35696670 -0.27029872
-0.00050357 0.00007788 0.00026718
0.00237424 -0.02590748 -0.00868467
14.38243061 12.53202204 -13.71199993
-0.00028083 -0.00012963 0.00008742
0.05838207 -0.00593549 0.03800462
-7.72310658 6.07254498 2.66245762
-0.00005480 0.00004673 0.00011745
-0.00052813 -0.02489474 -0.05539611
7.46130743 12.41172629 -5.95103423
-0.00027201 -0.00035414 -0.00017776
0.01310625 0.01326481 -0.00331658
8.81984847 9.92289367 -18.97428157
-0.00004213 0.00006935 -0.00014072
0.01109371 -0.00456626 -0.03200831
23.21444131 17.32333798 -2.22978610
-0.00025701 -0.00004213 -0.00010780
0.01061093 0.01983094 -0.00268365
2.11979308 16.82959669 -19.61481636
-0.00016349 -0.00004062 -0.00020334
0.03113140 -0.01589805 -0.00778355
14.00827027 -1.07567927 -5.73125567
-0.00013043 0.00028800 -0.00020863
-0.00393317 0.00103116 0.02504112
-16.05876224 -1.37384207 3.23708888
0.00013514 0.00018236 0.00014446
0.00406487 -0.01379170 -0.00595550
-16.44173975 -2.04634480 18.87344759
0.00049708 -0.00027206 -0.00030795
0.00207790 -0.01862821 0.00640504
0.43814896 2.04476095 -4.85150810
0.00016092 0.00019260 0.00023686
0.00941251 0.03402198 0.00462065
22.70050306 -7.10947288 -8.82767927
0.00026410 0.00004716 0.00006033
0.01193596 -0.01801786 -0.00445703
-0.74843280 -6.31492571 7.25605798
-0.00014461 0.00004875 0.00006196
0.01951889 -0.00890783 0.00796881
-1.73246116 -1.36109900 -19.32855734
0.00008671 -0.00003207 0.00004315
-0.02868808 -0.01490139 -0.02399130
3.20589821 1.82699208 -9.30480622
-0.00010126 -0.00031840 0.00012161
0.00421784 -0.00179008 0.00633515
-3.81783909 17.73488832 12.30176707
0.00011678 -0.00002256 0.00001275
0.00721897 0.02971223 0.02154969
-3.84403187 5.02066845 -11.10710302
0.00004360 0.00014275 -0.00016544
0.04002454 0.01230369 0.03094452
-7.94688335 2.84130453 -8.96313468
0.00025904 -0.00019259 0.00005992
0.00016533 -0.00715925 0.02599200
2.37269184 27.46409919 8.72128669
0.00017443 0.00006136 0.00031402
0.01372384 0.00659528 -0.02865741
9.66559979 -6.24469648 -1.80080389
-0.00028297 -0.00004593 0.00010856
-0.01107390 0.02970447 -0.01423334
-8.73067916 0.81510792 6.02279487
0.00018711 0.00007355 0.00001536
0.00719887 -0.01176758 0.00954663
20.37876967 10.84537499 8.80919641
0.00015839 0.00013827 -0.00020417
0.00658354 -0.02877417 0.01528468
-2.10508364 -2.13801448 -27.41507239
0.00022089 0.00000747 -0.00039129
-0.02459477 -0.02093954 0.01819649
-14.30089363 6.15062353 7.83338009
0.00010630 -0.00008837 0.00027083
-0.00346294 0.01375329 0.00015177
-9.55772874 7.28972647 -2.38672096
-0.00007703 -0.00014788 0.00047724
-0.02600945 -0.01289977 0.02013539
-1.80932583 -15.38013680 23.43484542
-0.00005827 0.00036181 -0.00033855
0.06661279 0.01456662 -0.01305535
-2.69203329 6.32718287 -6.20629403
-0.00005241 0.00001612 0.00017418
-0.02431173 0.00401849 0.00319080
-20.18806407 30.70409760 4.18496973
-0.00025883 -0.00070975 -0.00010232
0.04773978 -0.00252639 -0.01105798
7.65378711 0.28057177 7.66502077
0.00017145 0.00022556 -0.00025329
0.01505591 0.01617568 0.03534476
5.73936313 11.53095885 -13.51545849
0.00018783 -0.00016566 0.00036277
-0.01800425 -0.02381496 -0.02164485
15.53183151 2.76478754 -1.82134729
0.00008148 -0.00000837 0.00021818
0.00051983 -0.00771481 -0.00186143
-4.40632158 13.30897440 -0.80437606
-0.00009949 -0.00033516 0.00010922
0.00151330 0.00214222 -0.01542792
4.69501079 12.42035129 2.88543592
0.00031574 0.00019109 -0.00053672
0.00060438 0.04567239 -0.01355248
25.07204075 -11.56147549 -9.90009648
0.00000331 0.00018698 -0.00013258
-0.02962703 0.00042281 0.02103423
16.66508880 -3.65298915 -0.64858070
0.00033478 0.00030404 -0.00027623
0.01071381 -0.01899772 0.00256013
13.12606979 7.97779547 10.15668062
0.00036758 0.00000530 0.00025082
0.02931220 -0.00418939 -0.03995416
1.59790228 -14.02289848 17.61302852
0.00008244 -0.00017764 -0.00017761
0.01111665 -0.01866600 -0.01383808
-3.91741650 -0.71880717 -14.23110041
0.00047387 0.00002481 0.00011802
-0.02810580 -0.00845143 0.06341182
15.05231330 -7.57892406 -8.88353222
-0.00021956 0.00019357 0.00010635
0.01083938 0.00149956 0.02356809
8.40023753 -7.02838520 8.87760365
-0.00015035 -0.00015487 0.00021136
0.01429881 0.02073032 -0.02099109
-21.13950724 2.29010846 22.77432814
0.00018203 0.00007311 0.00001422
-0.01064322 0.00620438 -0.01071469
25.68367588 -3.24128799 -8.11650446
0.00000380 0.00018217 -0.00021505
0.01333748 0.01009978 0.01126037
9.87982303 -13.95815079 -8.24982737
0.00005423 0.00014324 -0.00038098
-0.00491726 -0.03895864 0.01717888
-6.73414703 -12.44847149 16.97032101
-0.00006587 0.00005842 0.00000545
0.02601482 0.02530742 0.01693081
7.88229713 3.17335189 -29.34289528
-0.00043719 -0.00028575 0.00007103
0.02960146 -0.02231372 0.01117534
10.94968275 15.46014739 15.36447154
0.00027523 0.00031511 -0.00005228
-0.01524671 0.01689489 0.02511510
28.69645111 6.20231762 -3.37685386
0.00009630 0.00017151 -0.00029482
0.01418790 -0.01375286 -0.00021009
5.37101697 -31.50745115 -3.43317882
-0.00048518 -0.00067520 -0.00011305
0.00624973 -0.00361047 0.00236013
4.52890459 -31.28215512 -0.48091898
0.00056579 0.00045973 -0.00013677
0.00375677 -0.00904792 0.00370201
-11.88245940 -3.41660129 -8.87216451
-0.00077049 -0.00011793 -0.00063692
0.00229914 0.00526473 -0.00351012
-12.51097241 -1.22506896 -10.76624104
0.00000680 0.00060653 -0.00046780
0.01023759 -0.00266947 0.01318392
-39.04222735 1.97191585 1.09749880
0.00050777 0.00026507 0.00032336
0.00688547 0.00693166 -0.00355771
-37.95761857 3.90446831 -0.96801463
-0.00005302 0.00016722 -0.00022542
0.00844911 -0.02551253 0.02290289
-10.57973829 -5.65304443 3.43125269
-0.00004108 -0.00075240 -0.00058910
-0.01564738 0.02449132 0.00560943
-10.73443278 -2.61269011 3.71015182
-0.00007244 0.00046021 0.00038912
-0.00181245 -0.01790031 0.00532125
4.61178648 -2.34453543 8.35932119
-0.00061197 0.00098462 -0.00038653
-0.00126610 -0.01485844 0.00407570
4.20111761 -3.65790166 10.90050885
-0.00127557 -0.00041291 0.00001134
0.00123038 -0.00485626 0.00158261
-33.71694557 -1.51025908 -0.26905530
-0.00088642 0.00073057 0.00102190
-0.00473970 -0.00216581 -0.00227843
-32.80443214 0.91529437 0.88638122
-0.00084173 0.00124460 0.00040406
-0.00584701 0.01905124 0.00927150
14.05627845 12.66816946 -15.46417248
-0.00108279 0.00023532 0.00186285
-0.00151337 0.00334250 -0.02830458
16.30860159 12.29035069 -13.50923703
0.00016963 0.00066680 -0.00023985
-0.04589174 0.00414888 -0.01316727
-8.63908462 7.33556675 1.63790487
0.00059382 0.00020390 0.00026484
0.00888416 -0.00713249 0.01087092
-7.39142178 4.79633218 1.16399445
0.00008354 0.00049573 -0.00012109
-0.00610198 0.02670713 0.04252708
6.08390948 12.35299308 -7.14037894
-0.00028318 0.00018648 -0.00108011
0.00320164 0.00174501 -0.00475669
8.88860445 13.61068120 -6.68927542
-0.00000333 -0.00041770 0.00009157
-0.01785943 -0.01604335 0.00852162
8.46816485 8.70525380 -20.35214280
-0.00014287 -0.00075914 0.00031331
0.00640041 0.01276120 0.01657949
10.09415413 11.13306990 -19.68984552
0.00093606 -0.00017356 0.00046045
-0.00740335 -0.01800860 0.01262303
23.95940026 15.73026501 -2.68637937
0.00066439 0.00077653 -0.00025249
0.00334734 -0.02461581 -0.00602295
24.75725602 18.34618954 -2.42276586
-0.00068526 0.00067982 -0.00092939
-0.00990062 0.00658166 -0.00473369
1.82065709 16.87170064 -21.46155017
0.00049584 0.00021853 0.00099255
-0.01133325 0.00268709 0.01123798
3.55459258 15.55436928 -19.53809781
0.00033284 0.00051018 -0.00060322
-0.02621229 0.01413841 0.01084520
12.47800006 -1.04320334 -6.76857445
0.00049497 -0.00143051 -0.00097659
0.00622490 -0.00125542 -0.00648747
13.39239003 -0.91619478 -3.99496391
0.00023829 0.00034368 0.00020801
0.00079458 -0.00568399 -0.01387772
-17.55645829 -2.14982919 2.52036941
-0.00093705 0.00011684 -0.00029080
0.00089609 -0.00525335 0.00960863
-14.67421955 -2.61760364 3.08099458
-0.00073319 -0.00062793 -0.00139482
-0.01047782 0.00269539 0.00379266
-16.69683289 -0.73773648 20.11194212
-0.00044615 0.00003427 -0.00025494
0.00455740 0.01617063 0.00279715
-15.30377515 -3.21800284 19.72521629
0.00095136 -0.00041007 0.00079754
-0.00120722 0.00417407 -0.00552351
-0.44754229 0.45088839 -4.88323927
-0.00005431 0.00005312 0.00009797
-0.01722427 -0.01321182 -0.00593628
-0.82182306 3.41463138 -4.95213009
-0.00048351 -0.00107206 0.00006742
0.00385326 -0.01411494 -0.00193057
23.46369403 -8.83615728 -9.12742085
-0.00041051 -0.00039331 -0.00016312
-0.00569368 0.03085359 0.00146114
24.06772282 -5.84009071 -8.62667028
-0.00035543 0.00054198 0.00057092
-0.01258491 -0.01266390 0.00113320
0.21910024 -6.23501633 5.69077881
-0.00027262 -0.00034646 0.00031114
-0.00649005 0.00218004 -0.00183424
0.63459496 -6.23442392 8.49862158
0.00075955 -0.00100646 -0.00090221
-0.01214586 0.00769804 -0.00577438
-0.57107923 -2.76817700 -19.32794108
-0.00028348 0.00094755 -0.00104534
0.00744377 -0.00040424 0.00641398
-3.01361630 -1.97897468 -20.61199133
0.00006916 -0.00050640 0.00020180
0.01354789 0.01191327 0.01962747
2.64167796 2.84703329 -10.70424132
0.00029433 0.00126508 0.00043490
0.00102055 0.00226260 -0.00915540
2.12972476 2.22503640 -7.86869899
0.00006201 -0.00173568 -0.00026704
-0.00746530 -0.00035389 0.00725081
-2.25083965 16.77890091 12.35756712
0.00124254 -0.00076769 -0.00034177
0.00946341 -0.01203382 -0.00254468
-3.59375333 18.73355197 13.90466615
-0.00067140 -0.00091262 0.00043710
-0.00256295 -0.00709674 -0.02158732
-5.20181689 6.14116650 -11.20383339
-0.00030497 -0.00139968 0.00060742
-0.03221383 0.02619446 -0.01033212
-4.06765826 3.78088291 -12.31728613
-0.00120931 0.00071282 0.00061955
-0.00197411 -0.03323463 -0.03418219
-7.59888526 1.94179537 -7.34791625
0.00004501 -0.00078526 0.00000872
-0.01165135 0.00268547 -0.02029106
-6.26247817 3.31940344 -9.41626015
-0.00117282 -0.00041211 -0.00003608
0.00697783 0.00393588 -0.00461192
2.92488063 28.14948480 7.03808635
0.00038441 -0.00035418 -0.00007410
-0.01190095 -0.01613728 0.02861057
0.99089831 28.52097987 9.18974712
0.00082646 0.00069777 -0.00048496
-0.01006734 0.00447162 0.00225719
10.61402537 -7.39697959 -0.82778517
-0.00029940 0.00034337 -0.00008980
0.01331127 -0.01816479 0.01745098
8.51347978 -7.17117261 -2.84739379
-0.00015925 -0.00037483 0.00054592
-0.00472155 -0.01119929 -0.00035693
-7.04624919 0.39025232 6.68538557
-0.00086992 -0.00060885 0.00065370
0.00660269 0.00184455 -0.00542448
-9.69483102 -0.22781086 7.16242390
-0.00087701 0.00054503 0.00107354
-0.01230247 0.00055185 -0.00061957
21.63049173 10.45025043 10.12502865
-0.00046926 0.00093082 0.00093617
-0.01060645 0.00540640 -0.00709272
20.77673391 12.53742776 8.34767161
-0.00103134 -0.00006417 0.00024620
0.00472865 0.02636985 -0.01054261
-1.13949328 -3.49589362 -26.44786251
0.00115193 -0.00002467 0.00067601
-0.01900914 0.02038642 -0.01112316
-3.88788027 -2.06032002 -26.73906405
0.00081302 0.00016280 0.00035694
0.03521610 -0.00471403 -0.00538309
-13.82750216 7.26254180 9.22483186
0.00018259 0.00029328 0.00004684
0.00142311 -0.00749755 -0.00155984
-15.51861712 7.25367027 6.98450795
0.00026497 0.00040564 0.00098048
0.01206340 -0.00850707 0.00223761
-11.32071696 7.72152546 -2.72313394
0.00002361 0.00080086 0.00081457
0.01451420 -0.00397515 -0.00250543
-8.46183919 8.21272367 -3.53940319
-0.00023564 0.00021235 -0.00032878
-0.00779757 0.00685557 -0.00950055
-0.94267249 -16.95816444 23.01681618
-0.00047706 0.00077820 -0.00051762
-0.01145995 -0.00347791 0.00060409
-3.49978361 -15.53983296 23.76742730
0.00127476 -0.00014132 -0.00089983
-0.05331582 -0.01455988 0.01204646
-2.31331413 6.33722202 -8.00573924
-0.00091558 0.00045047 0.00040122
-0.01134988 -0.00378186 0.00416434
-4.48854604 6.93890684 -5.95686124
0.00006351 -0.00097255 0.00012450
0.03479086 -0.00507003 -0.00603502
-21.33130640 29.82932722 3.11310973
-0.00066974 -0.00073774 -0.00032707
-0.02565345 -0.00744603 -0.01664790
-21.04828634 31.06518744 5.66063007
-0.00010921 -0.00042389 0.00035119
-0.03201588 0.01288431 0.03523288
6.98264693 -0.12551052 6.04843242
-0.00046029 0.00127826 0.00012778
-0.00999574 -0.00261638 -0.02474353
7.54401454 2.10856183 7.88882256
-0.00077250 0.00004460 -0.00095751
-0.00455838 -0.00763629 -0.00245449
7.12007900 12.76389262 -13.82939039
-0.00011678 0.00004774 0.00157048
0.00288190 0.00197831 0.00807378
4.54851129 11.78933143 -14.89763836
-0.00052720 0.00017474 -0.00118020
0.00983693 -0.00136168 0.01033556
14.35358121 3.71997365 -2.84538564
-0.00036248 0.00030062 0.00078771
-0.00026145 0.00483257 0.00302160
14.88922109 1.02900253 -1.95286603
-0.00046288 -0.00060469 0.00021752
0.00967783 0.02097573 0.00950538
-2.64770896 12.95100551 -0.45044038
-0.00009334 -0.00089066 0.00020162
-0.01089447 -0.00278974 0.00871658
-5.57189870 13.01566512 0.61945946
-0.00046647 0.00016962 0.00034615
0.01196684 -0.00448632 0.00037184
3.54082335 11.12174619 3.31462186
-0.00132488 0.00030638 -0.00066402
-0.02126391 -0.02486097 0.00229318
6.34278211 11.64974452 2.93859690
-0.00062193 -0.00076139 0.00004734
0.01708597 -0.01009766 0.00685974
25.27243963 -12.46120708 -8.35272357
0.00026060 0.00028497 -0.00032629
-0.00395002 -0.01310757 0.01311891
26.59097641 -11.69743337 -10.85571607
0.00093260 -0.00022475 -0.00017897
0.01966359 0.00540997 -0.02310272
14.95390013 -3.56050304 -0.06613573
0.00031222 0.00099123 0.00146903
-0.00557190 0.00666047 0.00280795
17.03847174 -5.50089537 -0.55672899
-0.00024090 -0.00060147 0.00014251
0.00111646 0.01640367 -0.00638338
12.36235597 7.93135385 11.74559319
-0.00059474 -0.00064065 -0.00025397
-0.02187778 -0.00059840 0.03638578
13.48079064 9.76287356 9.79233900
-0.00002741 0.00010696 -0.00045855
-0.00352578 -0.00616186 -0.00547589
-0.09539644 -14.74956945 17.26002174
0.00038293 0.00012700 0.00046348
0.00515170 0.01666181 0.00643821
1.51557890 -12.41285455 18.40093250
-0.00002144 0.00004792 0.00066568
-0.00637770 0.00974465 0.00810658
-3.96537206 -2.30616475 -13.16323571
-0.00034411 0.00046292 0.00099414
0.00402612 0.02918171 -0.01777065
-3.35504293 -1.15884667 -15.82217864
0.00036678 -0.00090199 -0.00008296
0.02315885 -0.01632805 -0.04430160
14.70840892 -8.21064391 -10.50531996
0.00048236 -0.00035751 -0.00044100
-0.01537133 -0.01071237 -0.02751960
16.33221492 -6.21068604 -9.27358467
0.00059608 0.00135084 0.00106868
0.00026888 -0.00359379 0.00624613
6.74632761 -6.07447546 8.65495129
-0.00006994 -0.00020978 -0.00093461
0.02815202 0.00247193 -0.00028344
9.67913454 -6.57228221 7.56483832
0.00037021 -0.00014294 0.00030092
-0.02846299 0.00368560 0.01978373
-21.83266287 2.00646896 21.06206680
0.00013947 -0.00000310 0.00098876
0.01315212 0.00219038 0.00925574
-22.28427094 1.36509419 23.89140091
-0.00093538 0.00044661 -0.00001399
0.00276783 -0.00681192 -0.00238460
26.72771323 -2.94551891 -6.62161752
0.00005576 -0.00000408 -0.00024104
-0.00371174 -0.00415003 -0.00422296
25.26664923 -1.52109424 -8.63570169
0.00017297 -0.00030264 -0.00041518
-0.00362474 0.00501122 -0.00354984
9.65231910 -15.74675049 -7.63716836
0.00091047 0.00045134 -0.00035217
0.00391579 0.02501854 -0.01574573
9.27709555 -12.99923267 -6.82083744
0.00055945 -0.00012024 -0.00011892
-0.00388479 0.01018001 -0.00206152
-5.97048700 -11.28899030 18.29346837
0.00012495 -0.00009989 0.00036759
-0.01003048 -0.01452114 -0.02802478
-7.09253238 -11.44980758 15.47319216
0.00047722 -0.00000198 -0.00006695
0.00182146 0.00542935 0.00544115
8.42469116 1.36337478 -29.35282152
-0.00041165 -0.00028294 -0.00040864
-0.00950592 0.02874426 -0.00408668
6.16995674 3.23872075 -29.89413638
-0.00019902 -0.00125236 0.00001501
-0.01783188 -0.01153205 -0.01615605
12.68059612 15.32754791 14.70388351
0.00025028 -0.00100751 -0.00036643
0.01505713 -0.00940151 -0.01907559
11.20697355 15.86293828 17.15906521
0.00019943 0.00047083 0.00115890
-0.00490033 0.00171434 -0.00976698
29.24856916 4.82769017 -4.52265703
0.00005291 0.00036893 -0.00010997
0.00546884 0.00805491 0.00543641
26.99164664 6.46941242 -3.92318553
0.00017172 0.00068606 0.00032887
-0.01874933 0.01218957 0.00154012
-9.94315609 4.86857904 6.63253135
-0.00001400 0.00010977 -0.00023789
-0.00148579 0.01313475 0.00099327
-8.75010395 13.33588084 2.59501524
-0.00009955 0.00006239 -0.00000206
-0.00529718 -0.00021558 -0.00005369
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09422576
0.32939314
438.89984691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3807279450 (a.u.)
total exchange computation time: 2.7004430294 s
-154.3486782292
-931.42026117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3804564258 (a.u.)
total exchange computation time: 2.7046720982 s
-154.3516128101
Anderson extrapolation: theta=1.3537089108 (1.3537089108)
-931.42047409
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3799914198 (a.u.)
total exchange computation time: 2.7023000717 s
-154.3563630519
Anderson extrapolation: theta=0.0528707510 (0.0528707510)
-931.42060254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3798871901 (a.u.)
total exchange computation time: 2.7028989792 s
-154.3572817475
Anderson extrapolation: theta=1.8770861254 (1.8770861254)
-931.42060720
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3796620887 (a.u.)
total exchange computation time: 2.7056689262 s
-154.3591927940
Anderson extrapolation: theta=0.2154122435 (0.2154122435)
-931.42061180
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3796015620 (a.u.)
total exchange computation time: 2.7028038502 s
-154.3596482015
Anderson extrapolation: theta=1.8422442430 (1.8422442430)
-931.42061264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3795049335 (a.u.)
total exchange computation time: 2.7029299736 s
-154.3603184935
Anderson extrapolation: theta=0.2895706300 (0.2895706300)
-931.42061368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3794935233 (a.u.)
total exchange computation time: 2.7028441429 s
-154.3603424977
Anderson extrapolation: theta=1.3156612933 (1.3156612933)
-931.42061399
-71.760792 67.738693 98.117129
559.491850 1031.408412 -410.383314
487.731058 1099.147106 -312.266185
1242.383240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3794919376 (a.u.)
total exchange computation time: 2.7022900581 s
679.04203674
-1083.87907506
89.82039405
-389.13025011
-174.89422797
78.37018070
551.60419304
0.00000000
-931.42061429
4.04321780 -31.08691228 -2.23464813
0.00017942 -0.00054722 0.00009794
-0.01734418 0.00604142 -0.00807540
-11.48076131 -1.64502672 -9.27288388
0.00010264 0.00044796 -0.00004020
-0.02787512 -0.01216804 -0.01585783
-37.50243548 2.42003027 0.20426870
-0.00011405 -0.00011431 0.00018647
-0.00972392 0.02939012 -0.02742895
-11.72228372 -4.17618603 3.92933052
-0.00003851 -0.00006478 0.00017373
0.02231518 -0.00359827 -0.00897423
4.17738645 -4.00317260 9.08759672
-0.00022917 -0.00018575 -0.00033725
0.00581195 0.01814954 -0.01141162
-32.32391448 -0.35589847 -0.26632446
-0.00050284 0.00006644 0.00026431
0.00049532 -0.01855378 -0.00248416
14.37844341 12.53005468 -13.71054208
-0.00024986 -0.00013294 0.00011031
0.06203306 -0.00691786 0.05103554
-7.72393059 6.07314990 2.66400572
-0.00005480 0.00003376 0.00008931
0.00050117 -0.02554849 -0.05403950
7.45727778 12.40646533 -5.95371337
-0.00026602 -0.00034729 -0.00018029
0.01018718 0.01338257 -0.00652433
8.81925931 9.92391627 -18.97651581
-0.00003631 0.00006686 -0.00015720
0.01154800 -0.00511697 -0.03208122
23.21062704 17.32278256 -2.23141340
-0.00025149 -0.00003129 -0.00010930
0.01086152 0.02233183 -0.00317485
2.11746085 16.82892604 -19.61789651
-0.00014703 -0.00004880 -0.00020549
0.03286799 -0.01589231 -0.00058106
14.00629866 -1.07135525 -5.73428849
-0.00013202 0.00028853 -0.00019530
-0.00223504 0.00102376 0.02676648
-16.05671945 -1.37115988 3.23923279
0.00013545 0.00017419 0.00014039
-0.00285648 -0.01798852 -0.00986089
-16.43427557 -2.05049754 18.86885307
0.00049890 -0.00028200 -0.00030342
0.00500890 -0.02003345 0.01122338
0.44059907 2.04778111 -4.84793742
0.00016574 0.00020882 0.00023923
0.00931638 0.02908926 0.00461080
22.70451060 -7.10883502 -8.82679157
0.00026968 0.00003777 0.00005799
0.00977404 -0.01847692 -0.00463943
-0.75052671 -6.31422885 7.25701814
-0.00013463 0.00004409 0.00006637
0.01930541 -0.00919416 0.00916894
-1.73127117 -1.36163751 -19.32800258
0.00007070 -0.00003842 0.00003071
-0.03357160 -0.00978234 -0.02438684
3.20439554 1.82220910 -9.30295757
-0.00009863 -0.00031902 0.00012302
0.00602214 -0.00060743 -0.00086211
-3.81605956 17.73466451 12.30204138
0.00012213 -0.00000881 0.00002359
0.01357675 0.02375982 0.02062543
-3.84322341 5.02285721 -11.10946528
0.00006549 0.00014940 -0.00014858
0.04506646 0.01354649 0.03460728
-7.94299716 2.83838808 -8.96213566
0.00025648 -0.00019710 0.00007407
-0.01011538 -0.01039998 0.02905897
2.37536128 27.46504503 8.72588640
0.00018206 0.00006452 0.00029879
0.01592913 0.00568635 -0.03054805
9.66131256 -6.24527087 -1.79923033
-0.00028888 -0.00003016 0.00010100
-0.01191566 0.03162256 -0.01516327
-8.72784476 0.81616577 6.02306205
0.00018885 0.00006658 0.00002127
-0.00043299 -0.01535530 0.01343957
20.38117096 10.84733807 8.80619284
0.00016173 0.00012243 -0.00019575
0.00641182 -0.03281895 0.01746865
-2.10186520 -2.13798323 -27.42087160
0.00020936 -0.00000406 -0.00038138
-0.02022134 -0.02389562 0.02034981
-14.29931249 6.14935097 7.83744314
0.00010468 -0.00008116 0.00027118
-0.00281946 0.01428718 0.00120242
-9.55898447 7.28745850 -2.37948475
-0.00008983 -0.00015380 0.00048677
-0.02377804 -0.01013274 0.01693751
-1.80994291 -15.37465346 23.42971676
-0.00002111 0.00037021 -0.00034575
0.07789108 0.01808010 -0.01491540
-2.69291329 6.32744021 -6.20366899
-0.00006471 0.00001800 0.00017633
-0.02349796 0.00327526 0.00515093
-20.19176241 30.69344160 4.18339234
-0.00023532 -0.00071110 -0.00010764
0.04369018 -0.00273260 -0.00964487
7.65641689 0.28401752 7.66135777
0.00017924 0.00023392 -0.00023497
0.01523246 0.01633412 0.03587676
5.74211116 11.52838210 -13.51010041
0.00017637 -0.00017800 0.00034966
-0.02655128 -0.02416276 -0.02935118
15.53305577 2.76463229 -1.81808181
0.00008121 -0.00001332 0.00021704
-0.00158746 -0.01153717 -0.00257981
-4.40780809 13.30395521 -0.80279724
-0.00009883 -0.00033416 0.00010172
0.00106684 0.00174683 -0.01375716
4.69974928 12.42339388 2.87733283
0.00031381 0.00021328 -0.00054305
-0.00811027 0.04059802 -0.01107696
25.07197604 -11.55866912 -9.90200409
-0.00001038 0.00018716 -0.00012290
-0.02359844 0.00024900 0.01661724
16.67015181 -3.64850185 -0.65271426
0.00033926 0.00029325 -0.00027434
0.00671461 -0.02295995 0.00478537
13.13169650 7.97785879 10.16028879
0.00038268 0.00000317 0.00023021
0.02942384 -0.00408685 -0.04017289
1.59918179 -14.02563508 17.61031096
0.00008875 -0.00018562 -0.00018392
0.01341672 -0.01237075 -0.01069719
-3.91041689 -0.71846759 -14.22908550
0.00045972 0.00002020 0.00014958
-0.02692635 -0.00950105 0.05933064
15.04906176 -7.57601466 -8.88184609
-0.00021340 0.00019470 0.00011715
0.01309266 0.00286358 0.01845463
8.39803748 -7.03062824 8.88069308
-0.00014276 -0.00014396 0.00020029
0.01521520 0.02169966 -0.02206835
-21.13681788 2.29122908 22.77450015
0.00017633 0.00007597 0.00001061
-0.01151232 0.00492686 -0.00332150
25.68378432 -3.23851643 -8.11968681
0.00001071 0.00018656 -0.00020911
0.01354674 0.00696347 0.01184317
9.88061753 -13.95615240 -8.25547582
0.00005188 0.00012366 -0.00037244
-0.00421962 -0.03720429 0.01603130
-6.73503476 -12.44749761 16.97046805
-0.00005247 0.00007137 0.00001454
0.02611124 0.02507495 0.01841412
7.87585350 3.16897959 -29.34178676
-0.00042168 -0.00029733 0.00007679
0.03070996 -0.02274012 0.01123524
10.95375234 15.46493914 15.36378415
0.00026746 0.00032399 -0.00003762
-0.01494807 0.01764142 0.03191314
28.69795029 6.20483720 -3.38127700
0.00010380 0.00016476 -0.00029436
0.01499513 -0.01247500 0.00199100
5.36393077 -31.51768983 -3.43480232
-0.00045605 -0.00069077 -0.00010597
0.00800847 -0.00401067 0.00110764
4.53750652 -31.27553646 -0.48285708
0.00058235 0.00042194 -0.00011870
0.00434857 -0.00945085 0.00514417
-11.89394632 -3.41820898 -8.88182593
-0.00075844 -0.00008920 -0.00065177
0.00360105 0.00880171 -0.00375776
-12.51055666 -1.21605284 -10.77285401
0.00005176 0.00059522 -0.00040960
0.01177075 -0.00286603 0.01530344
-39.03439981 1.97610426 1.10224023
0.00052864 0.00029125 0.00031272
0.00333284 0.00588756 -0.00165309
-37.95815498 3.90619483 -0.97069406
-0.00001786 0.00006031 -0.00012960
0.00876463 -0.02682231 0.02400061
-10.58083402 -5.66357989 3.42258809
-0.00010765 -0.00064657 -0.00056411
-0.01693984 0.02730990 0.00662270
-10.73557486 -2.60633547 3.71615176
-0.00008196 0.00038222 0.00041108
-0.00284930 -0.02027610 0.00542484
4.60256816 -2.33022150 8.35364819
-0.00061964 0.00091223 -0.00036417
-0.00249083 -0.02057259 0.00686822
4.18202181 -3.66424408 10.90072739
-0.00126967 -0.00043307 0.00001317
0.00165416 -0.00501148 -0.00068445
-33.73038717 -1.49936687 -0.25379667
-0.00090705 0.00071999 0.00101194
-0.00535454 -0.00301565 -0.00259581
-32.81723721 0.93454720 0.89272617
-0.00086005 0.00130947 0.00042971
-0.00312401 0.01270130 0.00328536
14.03999030 12.67180167 -15.43709706
-0.00109370 0.00025138 0.00172067
-0.00383014 0.00451878 -0.04129285
16.30973979 12.30047976 -13.51323832
-0.00002047 0.00068304 -0.00029418
-0.04716143 0.00380354 -0.01342530
-8.62990501 7.33840663 1.64221065
0.00062751 0.00017797 0.00030721
0.00760758 -0.00555947 0.00986785
-7.39035560 4.80458659 1.16348119
0.00005886 0.00060291 0.00005214
-0.00597951 0.02575584 0.04227219
6.07975988 12.35584381 -7.15672641
-0.00026337 0.00019375 -0.00109317
0.00649737 0.00181011 -0.00163337
8.88800721 13.60392409 -6.68764079
-0.00007599 -0.00048225 0.00012668
-0.01770652 -0.01555479 0.00866739
8.46621796 8.69425769 -20.34693515
-0.00011511 -0.00070410 0.00038202
0.00718519 0.01418226 0.01705527
10.10796811 11.12991467 -19.68255189
0.00090295 -0.00024927 0.00051137
-0.00880045 -0.01905241 0.01230130
23.96946866 15.74115867 -2.69035133
0.00067877 0.00067135 -0.00027774
0.00369351 -0.02686962 -0.00633570
24.74667373 18.35658853 -2.43685177
-0.00072678 0.00070619 -0.00094737
-0.01042267 0.00632781 -0.00406742
1.82774746 16.87506093 -21.44631755
0.00044629 0.00023001 0.00102239
-0.01292282 0.00293061 0.00337026
3.55878198 15.56245523 -19.54681373
0.00022637 0.00056696 -0.00055764
-0.02590746 0.01365721 0.01146284
12.48561532 -1.06469939 -6.78342209
0.00051792 -0.00143470 -0.00100150
0.00501251 -0.00079866 -0.00570674
13.39598877 -0.91121381 -3.99226896
0.00024054 0.00031987 0.00014628
0.00030472 -0.00596737 -0.01634188
-17.57048665 -2.14823759 2.51630182
-0.00092123 0.00010304 -0.00024539
0.00685243 -0.00150137 0.01262241
-14.68553844 -2.62693996 3.06018845
-0.00077442 -0.00061548 -0.00137719
-0.00970648 0.00339731 0.00483826
-16.70338547 -0.73672694 20.10820376
-0.00042619 0.00009533 -0.00024780
0.00521014 0.01371807 0.00069643
-15.28954173 -3.22402593 19.73701016
0.00093867 -0.00038513 0.00076911
-0.00500372 0.00803394 -0.00839604
-0.44888470 0.45128029 -4.88195160
-0.00012130 0.00000149 0.00007392
-0.01556943 -0.01206036 -0.00583674
-0.82895765 3.39811796 -4.95117798
-0.00047064 -0.00112268 0.00005902
0.00244472 -0.01066600 -0.00218165
23.45736188 -8.84111145 -9.12982282
-0.00043188 -0.00026524 -0.00015666
-0.00476626 0.03183440 0.00169756
24.06200566 -5.83234914 -8.61807169
-0.00040441 0.00048966 0.00057512
-0.01139041 -0.01294641 0.00091951
0.21481210 -6.24014647 5.69538964
-0.00029838 -0.00033712 0.00029861
-0.00612103 0.00239200 -0.00429723
0.64561596 -6.24928500 8.48491142
0.00070945 -0.00097437 -0.00092332
-0.01237507 0.00801101 -0.00455892
-0.57510332 -2.75397616 -19.34342470
-0.00024204 0.00093439 -0.00101797
0.01284095 -0.00603696 0.00698771
-3.01216376 -1.98620558 -20.60836283
0.00012303 -0.00045650 0.00028134
0.01282430 0.01251352 0.01930593
2.64612416 2.86607885 -10.69799834
0.00030067 0.00126931 0.00040414
0.00208457 -0.00019304 -0.00590135
2.13042616 2.19899039 -7.87248248
0.00002552 -0.00173351 -0.00022984
-0.01039449 0.00141417 0.01096203
-2.23191162 16.76701678 12.35236265
0.00126564 -0.00080670 -0.00035095
0.00184549 -0.00706102 -0.00194892
-3.60390286 18.71964519 13.91056117
-0.00067930 -0.00093954 0.00035100
-0.00130552 -0.00607827 -0.02056154
-5.20737852 6.12097398 -11.19503863
-0.00044640 -0.00128295 0.00056696
-0.03702073 0.03094350 -0.00947771
-4.08585847 3.79055676 -12.30904028
-0.00121791 0.00056532 0.00047064
-0.00223236 -0.03896450 -0.03871303
-7.59856707 1.93009882 -7.34840720
-0.00000251 -0.00077339 -0.00007546
-0.01161258 0.00312084 -0.02091407
-6.27985662 3.31334234 -9.41694264
-0.00112345 -0.00039064 -0.00005977
0.01719063 0.00657425 -0.00698602
2.93028205 28.14367761 7.03785154
0.00033583 -0.00042113 0.00004449
-0.01187845 -0.01663399 0.02944120
1.00298665 28.53158350 9.18254196
0.00078091 0.00071889 -0.00047332
-0.01222536 0.00586573 0.00343636
10.60994224 -7.39238560 -0.82859738
-0.00024168 0.00026597 -0.00001506
0.01494281 -0.01972527 0.01913140
8.51094635 -7.17713821 -2.83921599
-0.00018032 -0.00042137 0.00054258
-0.00559252 -0.01158360 -0.00127728
-7.05909566 0.38117615 6.69502492
-0.00083457 -0.00060230 0.00063328
0.01069914 0.00136068 -0.00457113
-9.70836319 -0.21961853 7.17850794
-0.00091992 0.00055581 0.00106106
-0.00870114 0.00472672 -0.00548555
21.62312775 10.46437839 10.13885388
-0.00051398 0.00095303 0.00090456
-0.01128294 0.00546752 -0.00837926
20.76140874 12.53727322 8.35104158
-0.00100992 0.00005129 0.00020111
0.00575567 0.03014946 -0.01152972
-1.12279687 -3.49563895 -26.43806327
0.00106959 0.00006408 0.00062563
-0.02129402 0.02305448 -0.01353628
-3.87460585 -2.05802254 -26.73387497
0.00095254 0.00014375 0.00033583
0.03308088 -0.00460644 -0.00495089
-13.82471967 7.26671127 9.22548666
0.00018933 0.00026100 0.00004082
0.00187284 -0.00830243 -0.00138916
-15.51427290 7.25949419 6.99928371
0.00031185 0.00037159 0.00098687
0.01088239 -0.00816174 0.00089013
-11.31991798 7.73341653 -2.71099210
0.00008257 0.00078360 0.00080500
0.01434354 -0.00447146 -0.00218346
-8.46561276 8.21611897 -3.54462603
-0.00027085 0.00023617 -0.00036227
-0.00943874 0.00480317 -0.00689106
-0.95017950 -16.94659799 23.00907036
-0.00051935 0.00075871 -0.00051722
-0.00924161 -0.00606109 -0.00040679
-3.48229600 -15.54239897 23.75429893
0.00102933 -0.00020273 -0.00084528
-0.06682431 -0.01549840 0.01465929
-2.32739565 6.34386321 -7.99959339
-0.00095904 0.00043445 0.00041255
-0.00992325 -0.00406118 0.00138500
-4.48652731 6.92416319 -5.95517865
0.00020081 -0.00099147 0.00010150
0.03242031 -0.00419180 -0.00522570
-21.34213868 29.81803291 3.10769348
-0.00077001 -0.00076387 -0.00038958
-0.02342523 -0.00534202 -0.01394988
-21.05090561 31.05922390 5.66697759
-0.00023558 -0.00037342 0.00048671
-0.02984196 0.01182298 0.03110297
6.97543626 -0.10641682 6.04959096
-0.00050206 0.00126301 0.00002235
-0.01045238 -0.00484746 -0.02686760
7.53228738 2.10899682 7.87438463
-0.00078974 0.00001730 -0.00096399
-0.00388354 -0.00572868 -0.00071596
7.11841557 12.76466931 -13.80558572
-0.00010244 0.00005829 0.00160099
0.00413744 0.00318581 0.00685717
4.54090473 11.79191073 -14.91502467
-0.00047127 0.00016650 -0.00112050
0.01754281 -0.00266961 0.01889005
14.34813602 3.72463104 -2.83347735
-0.00036251 0.00031900 0.00080075
0.00024481 0.00416656 0.00336052
14.88257444 1.02057492 -1.94931202
-0.00042010 -0.00050969 0.00025709
0.01126408 0.02552962 0.00986463
-2.64944284 12.93756018 -0.44714902
-0.00013952 -0.00090135 0.00023690
-0.01171328 -0.00244712 0.00855393
-5.57852901 13.01807198 0.62466308
-0.00041524 0.00015149 0.00034466
0.01310960 -0.00439111 -0.00109974
3.52029852 11.12558001 3.30473187
-0.00140041 0.00021695 -0.00065881
-0.01570526 -0.01891599 0.00025543
6.33397667 11.63801417 2.93951726
-0.00054620 -0.00080510 0.00007529
0.01998579 -0.01129738 0.00682245
25.27622755 -12.45733413 -8.35721585
0.00024389 0.00023004 -0.00026983
-0.00422988 -0.01378242 0.01451683
26.60556795 -11.70063885 -10.85910863
0.00100013 -0.00020065 -0.00026715
0.01339442 0.00638521 -0.02005933
14.95841272 -3.54543052 -0.04401430
0.00029913 0.00101774 0.00147690
-0.00083861 0.00631812 0.00104638
17.03489240 -5.50941478 -0.55478700
-0.00023767 -0.00052586 0.00011556
0.00046728 0.02060683 -0.00680941
12.35276443 7.92172573 11.74289868
-0.00068321 -0.00064120 -0.00010729
-0.02142700 0.00032783 0.03541051
13.48027150 9.76428918 9.78529293
-0.00004249 0.00007969 -0.00047839
-0.00385904 -0.00718982 -0.00423491
-0.08949462 -14.74715385 17.26717117
0.00039872 0.00019171 0.00048820
0.00257968 0.01501461 0.00566432
1.51506192 -12.41183718 18.41116605
-0.00004646 0.00007828 0.00069411
-0.00587298 0.00511905 0.00581431
-3.97041031 -2.29832669 -13.14886818
-0.00032665 0.00058218 0.00092005
0.00451815 0.02919414 -0.01849547
-3.34883159 -1.17287684 -15.82478062
0.00045750 -0.00096686 -0.00025371
0.02125075 -0.01542745 -0.03927787
14.71517330 -8.21633483 -10.51277824
0.00042317 -0.00039550 -0.00054260
-0.01360216 -0.00788572 -0.02221414
16.34116434 -6.19053353 -9.25736301
0.00059089 0.00132781 0.00109253
-0.00281109 -0.00768138 0.00542690
6.74614122 -6.07754648 8.64092345
0.00004494 -0.00019949 -0.00093435
0.02807888 0.00256559 0.00041073
9.68381543 -6.57431338 7.56995828
0.00025217 -0.00012907 0.00038322
-0.02931809 0.00310292 0.02050667
-21.83016787 2.00648961 21.07718182
0.00018956 0.00000476 0.00101464
0.01136843 0.00165512 0.00341133
-22.29821682 1.37158461 23.89111793
-0.00091877 0.00042218 -0.00002654
0.00536430 -0.00514567 -0.00375438
26.72843588 -2.94570734 -6.62536247
0.00004116 -0.00002070 -0.00025790
-0.00343219 -0.00398112 -0.00403327
25.26913273 -1.52548030 -8.64203818
0.00015695 -0.00027657 -0.00043101
-0.00421837 0.00775262 -0.00420003
9.66609615 -15.73921382 -7.64293340
0.00092504 0.00054858 -0.00041493
0.00321691 0.02258549 -0.01497708
9.28536829 -13.00072436 -6.82268449
0.00054292 -0.00007767 -0.00012641
-0.00420686 0.01065984 -0.00160407
-5.96892009 -11.29093357 18.29812346
0.00008311 -0.00015987 0.00025159
-0.01045223 -0.01484181 -0.02876037
-7.08531826 -11.44967091 15.47235459
0.00048430 0.00002122 -0.00004565
0.00164602 0.00592670 0.00498563
8.41822509 1.36001145 -29.35907642
-0.00044866 -0.00016622 -0.00042434
-0.00861107 0.02839447 -0.00359769
6.16642502 3.21958195 -29.89440624
-0.00027544 -0.00129768 -0.00005165
-0.01957579 -0.01065324 -0.01647801
12.68481176 15.31214720 14.69780258
0.00031019 -0.00104473 -0.00044217
0.01426922 -0.00881771 -0.01800392
11.20981491 15.87005332 17.17614948
0.00017843 0.00047440 0.00110319
-0.00538225 0.00003006 -0.01750493
29.24953039 4.83347092 -4.52414006
0.00007516 0.00039925 -0.00009053
0.00542181 0.00678968 0.00408063
26.99364791 6.48007682 -3.91820529
0.00009337 0.00073521 0.00033370
-0.01960317 0.01186855 0.00082420
-9.94337005 4.87026079 6.62896568
-0.00001452 0.00011447 -0.00023752
-0.00140839 0.01315616 0.00107245
-8.75160639 13.33681635 2.59498424
-0.00010078 0.00006234 -0.00000207
-0.00531411 -0.00019759 -0.00006528
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09432709
0.32628720
434.76133397
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3750160158 (a.u.)
total exchange computation time: 2.7017750740 s
-154.3254488885
-931.41693337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3747841672 (a.u.)
total exchange computation time: 2.7005350590 s
-154.3281660633
Anderson extrapolation: theta=1.3487590478 (1.3487590478)
-931.41715659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3743932589 (a.u.)
total exchange computation time: 2.7020769119 s
-154.3324829563
Anderson extrapolation: theta=0.0526787821 (0.0526787821)
-931.41729076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3743072265 (a.u.)
total exchange computation time: 2.7019031048 s
-154.3332887287
Anderson extrapolation: theta=1.8942312769 (1.8942312769)
-931.41729565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3741196136 (a.u.)
total exchange computation time: 2.7012288570 s
-154.3349726439
Anderson extrapolation: theta=0.2188695859 (0.2188695859)
-931.41730054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3740693898 (a.u.)
total exchange computation time: 2.7018239498 s
-154.3353677127
Anderson extrapolation: theta=1.8360060590 (1.8360060590)
-931.41730143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3739918068 (a.u.)
total exchange computation time: 2.7065551281 s
-154.3359257289
Anderson extrapolation: theta=0.2859007960 (0.2859007960)
-931.41730253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3739854574 (a.u.)
total exchange computation time: 2.7024638653 s
-154.3359192616
Anderson extrapolation: theta=1.2994394027 (1.2994394027)
-931.41730284
-71.749171 67.742802 98.143790
559.465050 1031.402642 -410.347423
487.715878 1099.145445 -312.203633
1242.360091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3739895784 (a.u.)
total exchange computation time: 2.7026638985 s
678.95634643
-1083.70754972
89.83376606
-389.24560377
-174.88027257
78.27762775
551.60419304
0.00000000
-931.41730315
4.04584216 -31.09509723 -2.23321017
0.00016993 -0.00054388 0.00009374
-0.01953177 0.00694018 -0.00827799
-11.47932925 -1.63835418 -9.27354803
0.00008767 0.00044080 -0.00004877
-0.03034412 -0.01567437 -0.01745987
-37.50418372 2.41842905 0.20695996
-0.00011811 -0.00009868 0.00017162
-0.00606343 0.03137780 -0.03033167
-11.72277529 -4.17717166 3.93190181
-0.00002663 -0.00006677 0.00016888
0.02388847 -0.00413038 -0.00986433
4.17397129 -4.00588890 9.08249398
-0.00022598 -0.00017516 -0.00034320
0.00659590 0.02303950 -0.01173384
-32.33145509 -0.35497338 -0.26236937
-0.00050310 0.00005877 0.00026460
-0.00150856 -0.01127232 0.00360024
14.37493478 12.52803394 -13.70869051
-0.00021727 -0.00013672 0.00013959
0.06469900 -0.00779808 0.06282549
-7.72475073 6.07355771 2.66513692
-0.00005427 0.00002052 0.00006210
0.00158239 -0.02591313 -0.05177362
7.45332673 12.40130761 -5.95644284
-0.00026156 -0.00034043 -0.00018442
0.00718868 0.01328980 -0.00953216
8.81875923 9.92489938 -18.97899755
-0.00003030 0.00006411 -0.00017355
0.01180478 -0.00557936 -0.03148839
23.20689657 17.32239942 -2.23306519
-0.00024579 -0.00001938 -0.00011110
0.01129573 0.02395350 -0.00382375
2.11538219 16.82813278 -19.62098114
-0.00012981 -0.00005686 -0.00020376
0.03408552 -0.01546796 0.00732931
14.00430981 -1.06702332 -5.73711481
-0.00013274 0.00028905 -0.00018126
-0.00056808 0.00098896 0.02783168
-16.05469869 -1.36861647 3.24130063
0.00013234 0.00016397 0.00013439
-0.00925057 -0.02175914 -0.01345872
-16.42677275 -2.05480482 18.86434512
0.00050208 -0.00029249 -0.00029642
0.00736561 -0.02076440 0.01599188
0.44312105 2.05102569 -4.84433117
0.00017048 0.00022233 0.00024160
0.00914391 0.02343960 0.00458834
22.70859354 -7.10833970 -8.82593967
0.00027402 0.00002826 0.00005556
0.00710482 -0.01850760 -0.00478250
-0.75247168 -6.31360293 7.25804904
-0.00012482 0.00003929 0.00007136
0.01883017 -0.00948451 0.01023380
-1.73034018 -1.36225149 -19.32763595
0.00005232 -0.00004211 0.00001822
-0.03791463 -0.00458429 -0.02417695
3.20293932 1.81742144 -9.30111558
-0.00009511 -0.00031895 0.00012079
0.00766666 0.00088151 -0.00781308
-3.81417528 17.73462401 12.30247480
0.00013057 0.00000183 0.00003385
0.01925360 0.01763605 0.01925925
-3.84206728 5.02515048 -11.11156056
0.00008950 0.00015658 -0.00013032
0.04831419 0.01436637 0.03640473
-7.93918901 2.83539140 -8.96091245
0.00024860 -0.00020322 0.00008969
-0.02052628 -0.01337590 0.03165169
2.37815361 27.46603474 8.73025043
0.00019062 0.00006721 0.00028285
0.01735883 0.00476322 -0.03142571
9.65693341 -6.24560130 -1.79777376
-0.00029511 -0.00001366 0.00009311
-0.01230188 0.03252723 -0.01555443
-8.72501370 0.81710517 6.02343292
0.00018674 0.00005786 0.00002912
-0.00775811 -0.01852512 0.01708800
20.38362171 10.84904795 8.80332404
0.00016501 0.00010484 -0.00018636
0.00633574 -0.03557871 0.01903772
-2.09880275 -2.13813633 -27.42651382
0.00020019 -0.00001695 -0.00037053
-0.01545533 -0.02622612 0.02183626
-14.29775310 6.14818863 7.84151547
0.00010346 -0.00007377 0.00027207
-0.00195889 0.01446849 0.00226047
-9.56042365 7.28511237 -2.37211788
-0.00010139 -0.00015831 0.00049466
-0.02116669 -0.00740299 0.01375010
-1.80995908 -15.36903064 23.42447304
0.00002104 0.00038040 -0.00035371
0.08601259 0.02155985 -0.01606643
-2.69397457 6.32772281 -6.20100421
-0.00007637 0.00001943 0.00017947
-0.02185789 0.00231323 0.00704980
-20.19512370 30.68276451 4.18174054
-0.00021423 -0.00071255 -0.00011197
0.03830796 -0.00290945 -0.00721036
7.65916418 0.28758928 7.65797155
0.00018700 0.00024224 -0.00021669
0.01495528 0.01601648 0.03524363
5.74465436 11.52561895 -13.50496877
0.00016088 -0.00019052 0.00033288
-0.03369962 -0.02454723 -0.03587208
15.53426779 2.76438802 -1.81483622
0.00007992 -0.00002000 0.00021554
-0.00342870 -0.01446028 -0.00325442
-4.40928637 13.29894949 -0.80132455
-0.00009842 -0.00033336 0.00009505
0.00052315 0.00139609 -0.01217516
4.70442520 12.42674966 2.86914429
0.00030751 0.00023272 -0.00054812
-0.01640487 0.03498298 -0.00860614
25.07172928 -11.55586083 -9.90378349
-0.00002088 0.00018716 -0.00011540
-0.01720918 -0.00023055 0.01254215
16.67526661 -3.64419167 -0.65681091
0.00034164 0.00028060 -0.00027128
0.00254041 -0.02622840 0.00711537
13.13755021 7.97789059 10.16358704
0.00039762 0.00000102 0.00020994
0.02868287 -0.00428736 -0.03867773
1.60056481 -14.02846711 17.60751087
0.00009629 -0.00019029 -0.00018857
0.01591471 -0.00578415 -0.00737433
-3.90362501 -0.71820132 -14.22661289
0.00044635 0.00001506 0.00017843
-0.02505160 -0.01046101 0.05285640
15.04591123 -7.57308318 -8.88001759
-0.00020624 0.00019629 0.00012519
0.01476733 0.00332907 0.01278648
8.39595482 -7.03270388 8.88361227
-0.00013477 -0.00013264 0.00018882
0.01582847 0.02230726 -0.02253279
-21.13421734 2.29238770 22.77464653
0.00017026 0.00007823 0.00001091
-0.01209343 0.00383233 0.00447563
25.68399728 -3.23569115 -8.12277780
0.00001768 0.00018937 -0.00020294
0.01353481 0.00395186 0.01216664
9.88137948 -13.95444104 -8.26100060
0.00004989 0.00010520 -0.00036453
-0.00352560 -0.03456547 0.01474010
-6.73572105 -12.44633028 16.97075714
-0.00003910 0.00008410 0.00002424
0.02585413 0.02441898 0.01931722
7.86964678 3.16443186 -29.34059157
-0.00040591 -0.00030893 0.00008250
0.03061409 -0.02235763 0.01095298
10.95770661 15.46986700 15.36334297
0.00025996 0.00033318 -0.00001977
-0.01421666 0.01810156 0.03749949
28.69956515 6.20726054 -3.38568478
0.00011153 0.00015876 -0.00029279
0.01505088 -0.01085412 0.00411123
5.35733538 -31.52817430 -3.43635793
-0.00042012 -0.00070787 -0.00010382
0.00957933 -0.00435747 -0.00005293
4.54637496 -31.26949700 -0.48447991
0.00060111 0.00038264 -0.00009518
0.00483894 -0.00978467 0.00636613
-11.90521255 -3.41927725 -8.89171765
-0.00074117 -0.00004675 -0.00066736
0.00485369 0.01197702 -0.00387300
-12.50941953 -1.20721237 -10.77852910
0.00010226 0.00058340 -0.00034378
0.01294836 -0.00291727 0.01691619
-39.02636801 1.98065350 1.10688034
0.00053466 0.00031308 0.00031015
-0.00039001 0.00479445 0.00039575
-37.95815424 3.90627752 -0.97190258
0.00001823 -0.00005070 -0.00003030
0.00889775 -0.02751861 0.02460443
-10.58296792 -5.67244162 3.41432938
-0.00017870 -0.00053040 -0.00053528
-0.01783934 0.02955917 0.00749091
-10.73689157 -2.60122349 3.72248416
-0.00009516 0.00029559 0.00043328
-0.00361427 -0.02212952 0.00544568
4.59319718 -2.31716839 8.34839612
-0.00063184 0.00081809 -0.00033119
-0.00347767 -0.02551101 0.00927676
4.16302737 -3.67089363 10.90090398
-0.00126200 -0.00045383 0.00000573
0.00210078 -0.00515133 -0.00295881
-33.74415693 -1.48865948 -0.23869712
-0.00092985 0.00070626 0.00100074
-0.00581044 -0.00370147 -0.00288501
-32.83023375 0.95457844 0.89927248
-0.00086731 0.00134820 0.00043109
-0.00042820 0.00625675 -0.00260806
14.02346741 12.67571082 -15.41255232
-0.00111428 0.00027237 0.00152757
-0.00624076 0.00575553 -0.05323123
16.30798764 12.31084194 -13.51806240
-0.00021359 0.00069763 -0.00034926
-0.04737469 0.00333871 -0.01353705
-8.62025917 7.34090580 1.64712119
0.00065561 0.00015911 0.00034501
0.00614554 -0.00367230 0.00863729
-7.38965588 4.81441947 1.16555864
0.00003496 0.00070502 0.00022292
-0.00572031 0.02422963 0.04132567
6.07600847 12.35880547 -7.17317398
-0.00023051 0.00020115 -0.00109365
0.00958600 0.00181503 0.00139824
8.88632481 13.59621368 -6.68547498
-0.00014753 -0.00054434 0.00016214
-0.01731599 -0.01484004 0.00869222
8.46471143 8.68413075 -20.34068225
-0.00008445 -0.00064418 0.00045168
0.00782697 0.01514777 0.01704661
10.12124274 11.12559179 -19.67450436
0.00086485 -0.00032850 0.00056059
-0.00985155 -0.01973126 0.01178937
23.97976342 15.75040560 -2.69471158
0.00069401 0.00055883 -0.00030373
0.00376762 -0.02821129 -0.00638700
24.73545268 18.36737534 -2.45118696
-0.00077015 0.00073146 -0.00096264
-0.01080807 0.00604006 -0.00340961
1.83404584 16.87860082 -21.43087838
0.00039018 0.00024258 0.00101858
-0.01454619 0.00322250 -0.00523643
3.56138362 15.57137818 -19.55482714
0.00012221 0.00062089 -0.00050961
-0.02507837 0.01274265 0.01205273
12.49353778 -1.08624438 -6.79861948
0.00053633 -0.00143708 -0.00102297
0.00399807 -0.00036704 -0.00480174
13.39960617 -0.90659854 -3.99057554
0.00024048 0.00029499 0.00007558
-0.00033530 -0.00621396 -0.01826497
-17.58409505 -2.14673800 2.51300781
-0.00088228 0.00010385 -0.00018826
0.01220913 0.00189858 0.01533987
-14.69745221 -2.63606808 3.03967884
-0.00081233 -0.00060030 -0.00135536
-0.00885057 0.00403399 0.00584977
-16.70961874 -0.73487667 20.10450807
-0.00040337 0.00014586 -0.00024964
0.00596401 0.01101706 -0.00159512
-15.27561498 -3.22955665 19.74828946
0.00091130 -0.00034533 0.00072943
-0.00839409 0.01144595 -0.01102598
-0.45118129 0.45093306 -4.88102165
-0.00018086 -0.00004449 0.00005032
-0.01358666 -0.01044781 -0.00571424
-0.83594241 3.38095087 -4.95035958
-0.00046405 -0.00115872 0.00004956
0.00078417 -0.00697604 -0.00244762
23.45073763 -8.84411462 -9.13212075
-0.00044899 -0.00013465 -0.00014945
-0.00360866 0.03209281 0.00183249
24.05559043 -5.82540100 -8.60941674
-0.00044799 0.00043682 0.00057854
-0.00994228 -0.01291938 0.00075757
0.21014882 -6.24513002 5.69973712
-0.00032256 -0.00032694 0.00027599
-0.00571722 0.00259130 -0.00677541
0.65587855 -6.26365512 8.47092186
0.00065890 -0.00094101 -0.00093915
-0.01236955 0.00832181 -0.00318874
-0.57834044 -2.74014531 -19.35848008
-0.00017871 0.00089853 -0.00098857
0.01815875 -0.01151481 0.00740310
-3.00992526 -1.99266958 -20.60355115
0.00017307 -0.00040465 0.00035864
0.01166756 0.01286536 0.01853531
2.65069811 2.88511258 -10.69211703
0.00031130 0.00126321 0.00038685
0.00311896 -0.00279246 -0.00256590
2.13049051 2.17303105 -7.87559414
-0.00002253 -0.00172443 -0.00017811
-0.01313019 0.00303204 0.01435885
-2.21287048 16.75469992 12.34703873
0.00125866 -0.00082600 -0.00035752
-0.00526402 -0.00238791 -0.00126694
-3.61413241 18.70536590 13.91519605
-0.00068197 -0.00096169 0.00026998
0.00000097 -0.00476752 -0.01909860
-5.21520902 6.10267786 -11.18682473
-0.00060433 -0.00114969 0.00053025
-0.04028671 0.03428942 -0.00849003
-4.10419548 3.79784263 -12.30316699
-0.00122710 0.00039811 0.00030676
-0.00226628 -0.04288940 -0.04150456
-7.59896057 1.91859353 -7.35017990
-0.00004958 -0.00076029 -0.00016110
-0.01142630 0.00329622 -0.02101004
-6.29618152 3.30768416 -9.41805328
-0.00103236 -0.00035834 -0.00009330
0.02739784 0.00923925 -0.00942609
2.93495548 28.13685098 7.03942107
0.00028793 -0.00048940 0.00016478
-0.01156684 -0.01678809 0.02944083
1.01432574 28.54254661 9.17554740
0.00072756 0.00074502 -0.00045722
-0.01389166 0.00692310 0.00444846
10.60677490 -7.38900049 -0.82823709
-0.00017867 0.00018392 0.00006509
0.01590288 -0.02044119 0.02010502
8.50807017 -7.18381372 -2.83111647
-0.00020448 -0.00046909 0.00053589
-0.00623187 -0.01177773 -0.00199789
-7.07128642 0.37218337 6.70438412
-0.00078299 -0.00059786 0.00061644
0.01455020 0.00081042 -0.00367540
-9.72242861 -0.21113652 7.19425579
-0.00094826 0.00058295 0.00102916
-0.00517134 0.00855989 -0.01013165
21.61507229 10.47884144 10.15216558
-0.00056090 0.00097529 0.00086823
-0.01168442 0.00542520 -0.00940795
20.74643631 12.53896642 8.35370493
-0.00098502 0.00017977 0.00015268
0.00643334 0.03274110 -0.01217867
-1.10740550 -3.49397135 -26.42909361
0.00097886 0.00016233 0.00056618
-0.02311991 0.02504063 -0.01556464
-3.85930404 -2.05600737 -26.72898930
0.00108162 0.00012533 0.00031710
0.03010433 -0.00441162 -0.00421666
-13.82182239 7.27037191 9.22605632
0.00019797 0.00022568 0.00003576
0.00236045 -0.00898799 -0.00108318
-15.50926174 7.26481791 7.01411403
0.00035335 0.00033943 0.00098744
0.00943237 -0.00757848 -0.00060861
-11.31823993 7.74503356 -2.69898407
0.00013992 0.00076448 0.00079665
0.01373107 -0.00488979 -0.00190187
-8.46996479 8.21980864 -3.55027119
-0.00031256 0.00025153 -0.00038499
-0.01097902 0.00271547 -0.00423452
-0.95825289 -16.93540300 23.00129961
-0.00055229 0.00072833 -0.00052110
-0.00688234 -0.00881323 -0.00149436
-3.46890379 -15.54591482 23.74206898
0.00073486 -0.00026752 -0.00078130
-0.07732098 -0.01621902 0.01665978
-2.34208533 6.35025551 -7.99336266
-0.00099660 0.00041732 0.00041233
-0.00846249 -0.00432220 -0.00149411
-4.48252167 6.90916264 -5.95381633
0.00032666 -0.00100640 0.00008214
0.02918396 -0.00311611 -0.00424990
-21.35440659 29.80641120 3.10142228
-0.00086017 -0.00078065 -0.00044014
-0.02071259 -0.00287305 -0.01079675
-21.05535378 31.05398495 5.67523128
-0.00035139 -0.00032802 0.00060235
-0.02684904 0.01039715 0.02550382
6.96758500 -0.08762020 6.04910289
-0.00054479 0.00123918 -0.00008949
-0.01046413 -0.00682004 -0.02787700
7.52032221 2.10908072 7.85990282
-0.00080424 -0.00000178 -0.00096328
-0.00321086 -0.00360940 0.00106284
7.11700570 12.76564124 -13.78136080
-0.00008339 0.00007346 0.00162668
0.00518994 0.00423983 0.00571764
4.53437330 11.79432643 -14.93125328
-0.00038628 0.00015333 -0.00102836
0.02405844 -0.00377680 0.02621371
14.34270582 3.72954379 -2.82136310
-0.00036038 0.00033457 0.00081523
0.00079877 0.00345381 0.00372538
14.87661811 1.01371193 -1.94515344
-0.00037149 -0.00039793 0.00029789
0.01253197 0.02917569 0.01010836
-2.65189459 12.92396487 -0.44333342
-0.00018850 -0.00091072 0.00027151
-0.01226346 -0.00213738 0.00838948
-5.58435588 13.02020973 0.62979931
-0.00035964 0.00013371 0.00033734
0.01410869 -0.00430982 -0.00248217
3.49881118 11.12825454 3.29485752
-0.00145228 0.00015221 -0.00066203
-0.00968801 -0.01277262 -0.00182989
6.32639609 11.62559146 2.94085573
-0.00046038 -0.00085300 0.00010306
0.02202397 -0.01214914 0.00676882
25.27975624 -12.45430586 -8.36081845
0.00022601 0.00017297 -0.00020878
-0.00452206 -0.01415555 0.01536737
26.62098038 -11.70345301 -10.86373055
0.00104138 -0.00017250 -0.00034252
0.00679477 0.00739574 -0.01683305
14.96287392 -3.52997079 -0.02182875
0.00030546 0.00104267 0.00147721
0.00393716 0.00588586 -0.00089390
17.03134169 -5.51667128 -0.55326232
-0.00023682 -0.00043437 0.00008695
-0.00004986 0.02417782 -0.00719355
12.34185971 7.91211771 11.74237435
-0.00076813 -0.00063776 0.00003197
-0.02014328 0.00135817 0.03276271
13.47951585 9.76526417 9.77798732
-0.00005885 0.00004861 -0.00049321
-0.00414826 -0.00802399 -0.00301921
-0.08343470 -14.74381807 17.27466774
0.00040347 0.00024931 0.00050963
-0.00025681 0.01317803 0.00482700
1.51418500 -12.41050609 18.42175594
-0.00006927 0.00008952 0.00071293
-0.00529114 0.00038343 0.00339640
-3.97517166 -2.28869944 -13.13563416
-0.00030729 0.00070004 0.00084397
0.00496097 0.02850083 -0.01874927
-3.34131787 -1.18785249 -15.82978979
0.00053915 -0.00102673 -0.00040017
0.01871494 -0.01387919 -0.03241665
14.72110405 -8.22250904 -10.52159794
0.00037129 -0.00042132 -0.00062095
-0.01179245 -0.00475268 -0.01614073
16.34994147 -6.17085178 -9.24080876
0.00057330 0.00128849 0.00111269
-0.00579465 -0.01156518 0.00444328
6.74767567 -6.08046027 8.62692078
0.00015871 -0.00018855 -0.00093128
0.02761500 0.00278943 0.00109051
9.68669953 -6.57615438 7.57633503
0.00013204 -0.00011723 0.00046723
-0.02948525 0.00269252 0.02061430
-21.82697613 2.00661169 21.09250590
0.00023188 0.00001021 0.00101563
0.00935092 0.00101299 -0.00292566
-22.31183394 1.37775968 23.89060485
-0.00089164 0.00040441 -0.00004451
0.00791437 -0.00355218 -0.00504290
26.72894817 -2.94613976 -6.62935461
0.00002799 -0.00003649 -0.00027364
-0.00301914 -0.00374821 -0.00366812
25.27135770 -1.52939124 -8.64863208
0.00013869 -0.00023970 -0.00044936
-0.00472066 0.01029511 -0.00478139
9.68007035 -15.73029297 -7.64961633
0.00093661 0.00063433 -0.00047391
0.00244443 0.01938616 -0.01389403
9.29338320 -13.00156276 -6.82462983
0.00052524 -0.00003342 -0.00013236
-0.00444991 0.01100028 -0.00130702
-5.96799375 -11.29378644 18.30101594
0.00004020 -0.00022023 0.00013380
-0.01055206 -0.01470240 -0.02889899
-7.07800325 -11.44917101 15.47182258
0.00049065 0.00004638 -0.00002626
0.00146111 0.00638881 0.00450785
8.41123127 1.35838832 -29.36555180
-0.00048143 -0.00005255 -0.00043801
-0.00743068 0.02724573 -0.00309080
6.16169357 3.19979025 -29.89568597
-0.00035710 -0.00133942 -0.00011898
-0.02039812 -0.00977718 -0.01648128
12.68990191 15.29620610 14.69061826
0.00036584 -0.00107935 -0.00051306
0.01296838 -0.00813088 -0.01669274
11.21232641 15.87717021 17.19216094
0.00015579 0.00047150 0.00101780
-0.00569760 -0.00144712 -0.02429649
29.25082390 4.83966778 -4.52537300
0.00009718 0.00042411 -0.00007691
0.00535953 0.00537681 0.00258783
26.99444778 6.49146860 -3.91317453
0.00001308 0.00078270 0.00033601
-0.01970080 0.01137917 0.00030717
-9.94359156 4.87201317 6.62540576
-0.00001501 0.00011918 -0.00023712
-0.00133645 0.01315331 0.00116821
-8.75312733 13.33775117 2.59495302
-0.00010201 0.00006230 -0.00000209
-0.00531292 -0.00021604 -0.00003287
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09424548
0.32305766
430.45814205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3698923826 (a.u.)
total exchange computation time: 2.7037549019 s
-154.3021236579
-931.41410227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3696617700 (a.u.)
total exchange computation time: 2.7016870975 s
-154.3048287099
Anderson extrapolation: theta=1.3419327634 (1.3419327634)
-931.41433613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3692758400 (a.u.)
total exchange computation time: 2.7035751343 s
-154.3090681789
Anderson extrapolation: theta=0.0508169519 (0.0508169519)
-931.41447537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3691914746 (a.u.)
total exchange computation time: 2.7012050152 s
-154.3098366598
Anderson extrapolation: theta=1.8573289245 (1.8573289245)
-931.41448021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3690088830 (a.u.)
total exchange computation time: 2.7022590637 s
-154.3114246792
Anderson extrapolation: theta=0.2156324017 (0.2156324017)
-931.41448489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3689588585 (a.u.)
total exchange computation time: 2.7013709545 s
-154.3118013358
Anderson extrapolation: theta=1.8620387775 (1.8620387775)
-931.41448573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3688791748 (a.u.)
total exchange computation time: 2.7016050816 s
-154.3123443609
Anderson extrapolation: theta=0.2895878397 (0.2895878397)
-931.41448678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3688711812 (a.u.)
total exchange computation time: 2.7023098469 s
-154.3123416129
Anderson extrapolation: theta=1.2995687106 (1.2995687106)
-931.41448709
-71.746751 67.748171 98.160303
559.434548 1031.397616 -410.312889
487.687797 1099.145786 -312.152585
1242.336542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3688730172 (a.u.)
total exchange computation time: 2.7045769691 s
678.87633412
-1083.54768162
89.84612943
-389.35303536
-174.86736095
78.19162457
551.60419304
0.00000000
-931.41448740
4.04831584 -31.10322864 -2.23183607
0.00015941 -0.00054010 0.00008946
-0.02138741 0.00773526 -0.00835100
-11.47813129 -1.63180257 -9.27434688
0.00007154 0.00043191 -0.00005806
-0.03235433 -0.01889982 -0.01866082
-37.50597873 2.41706991 0.20941722
-0.00012023 -0.00008219 0.00015539
-0.00219700 0.03273922 -0.03278818
-11.72308257 -4.17818915 3.93439701
-0.00001411 -0.00006902 0.00016365
0.02478503 -0.00462884 -0.01050296
4.17060702 -4.00842745 9.07730072
-0.00022245 -0.00016227 -0.00034922
0.00711608 0.02710003 -0.01169142
-32.33900735 -0.35413525 -0.25838651
-0.00050440 0.00005476 0.00026793
-0.00357593 -0.00435538 0.00934270
14.37192527 12.52595305 -13.70635426
-0.00018363 -0.00014091 0.00017437
0.06611954 -0.00849896 0.07241712
-7.72555866 6.07376562 2.66586871
-0.00005318 0.00000719 0.00003629
0.00266879 -0.02592383 -0.04859178
7.44943113 12.39625242 -5.95924584
-0.00025862 -0.00033367 -0.00019002
0.00420922 0.01298485 -0.01225602
8.81835022 9.92583945 -18.98172221
-0.00002422 0.00006115 -0.00018942
0.01185238 -0.00592952 -0.03024144
23.20325324 17.32220108 -2.23474647
-0.00023981 -0.00000688 -0.00011328
0.01195336 0.02464918 -0.00463131
2.11356649 16.82722019 -19.62400923
-0.00011212 -0.00006460 -0.00019784
0.03473236 -0.01462907 0.01569816
14.00231658 -1.06268377 -5.73972643
-0.00013262 0.00028954 -0.00016686
0.00103756 0.00091903 0.02818972
-16.05274931 -1.36624092 3.24326464
0.00012610 0.00015193 0.00012664
-0.01500171 -0.02505902 -0.01668643
-16.41921311 -2.05927230 18.85996055
0.00050634 -0.00030319 -0.00028702
0.00918737 -0.02082890 0.02054693
0.44571358 2.05445110 -4.84068952
0.00017512 0.00023280 0.00024395
0.00889261 0.01726875 0.00455077
22.71273130 -7.10798716 -8.82512466
0.00027687 0.00001885 0.00005308
0.00396971 -0.01810253 -0.00488044
-0.75427138 -6.31305017 7.25915889
-0.00011532 0.00003434 0.00007685
0.01813243 -0.00976979 0.01111061
-1.72970169 -1.36290084 -19.32745584
0.00003190 -0.00004318 0.00000600
-0.04149557 0.00041186 -0.02336082
3.20154226 1.81264058 -9.29933386
-0.00009081 -0.00031805 0.00011513
0.00906029 0.00260683 -0.01419882
-3.81214246 17.73471956 12.30305681
0.00014176 0.00000938 0.00004328
0.02427421 0.01169971 0.01743784
-3.84053842 5.02755458 -11.11337499
0.00011461 0.00016404 -0.00011167
0.04932070 0.01464534 0.03613516
-7.93553921 2.83229152 -8.95944506
0.00023548 -0.00021075 0.00010647
-0.03049934 -0.01590893 0.03361376
2.38107986 27.46706119 8.73437202
0.00019970 0.00006944 0.00026673
0.01794177 0.00390883 -0.03126631
9.65245936 -6.24568079 -1.79643718
-0.00030141 0.00000302 0.00008515
-0.01220219 0.03233863 -0.01536782
-8.72224249 0.81790165 6.02393561
0.00018101 0.00004764 0.00003876
-0.01453480 -0.02121631 0.02041494
20.38612135 10.85048336 8.80060211
0.00016828 0.00008621 -0.00017634
0.00635266 -0.03686464 0.01993394
-2.09585954 -2.13849176 -27.43198758
0.00019356 -0.00003089 -0.00035909
-0.01031214 -0.02796931 0.02264262
-14.29620882 6.14713791 7.84560524
0.00010272 -0.00006637 0.00027350
-0.00091392 0.01431076 0.00329638
-9.56202612 7.28270912 -2.36464493
-0.00011153 -0.00016144 0.00050093
-0.01825776 -0.00477171 0.01063167
-1.80931169 -15.36324149 23.41910537
0.00006628 0.00039231 -0.00036205
0.08992054 0.02476649 -0.01634878
-2.69520447 6.32802326 -6.19828504
-0.00008697 0.00002032 0.00018354
-0.01934047 0.00113982 0.00878643
-20.19818946 30.67206499 4.18003312
-0.00019617 -0.00071408 -0.00011485
0.03195154 -0.00303144 -0.00399247
7.66202685 0.29128461 7.65485722
0.00019449 0.00025029 -0.00019903
0.01418153 0.01528964 0.03341453
5.74693757 11.52266642 -13.50011387
0.00014208 -0.00020324 0.00031306
-0.03939241 -0.02489439 -0.04120660
15.53545335 2.76403220 -1.81161575
0.00007776 -0.00002796 0.00021370
-0.00497459 -0.01646950 -0.00386680
-4.41076061 13.29395455 -0.79994579
-0.00009831 -0.00033271 0.00008916
-0.00010829 0.00110233 -0.01071717
4.70897457 12.43037533 2.86088936
0.00029715 0.00024917 -0.00055193
-0.02387339 0.02901767 -0.00623441
25.07134975 -11.55305432 -9.90546614
-0.00002807 0.00018684 -0.00010986
-0.01074642 -0.00100266 0.00902151
16.68040101 -3.64008385 -0.66085266
0.00034188 0.00026646 -0.00026701
-0.00161319 -0.02874570 0.00946977
13.14362520 7.97788931 10.16658690
0.00041197 -0.00000132 0.00019082
0.02712445 -0.00481582 -0.03565063
1.60207061 -14.03134376 17.60465389
0.00010515 -0.00019156 -0.00019149
0.01853621 0.00084340 -0.00399517
-3.89702639 -0.71801574 -14.22373250
0.00043408 0.00000948 0.00020347
-0.02265923 -0.01123400 0.04451795
15.04287462 -7.57012601 -8.87809044
-0.00019830 0.00019798 0.00013024
0.01611000 0.00326545 0.00684442
8.39399426 -7.03460742 8.88635762
-0.00012656 -0.00012110 0.00017727
0.01612934 0.02255031 -0.02237421
-21.13171009 2.29357589 22.77482744
0.00016397 0.00007997 0.00001526
-0.01238008 0.00294085 0.01245039
25.68431465 -3.23283538 -8.12577493
0.00002458 0.00019068 -0.00019667
0.01328803 0.00116661 0.01221352
9.88211423 -13.95299633 -8.26641166
0.00004825 0.00008833 -0.00035731
-0.00285146 -0.03104972 0.01332238
-6.73620789 -12.44497457 16.97119527
-0.00002597 0.00009639 0.00003425
0.02523500 0.02335315 0.01960195
7.86367625 3.15971164 -29.33931187
-0.00039051 -0.00032013 0.00008797
0.02926856 -0.02119290 0.01032202
10.96155121 15.47493451 15.36319108
0.00025294 0.00034253 0.00000063
-0.01309572 0.01826030 0.04182475
28.70129613 6.20960014 -3.39006084
0.00011909 0.00015368 -0.00029016
0.01434765 -0.00890950 0.00611827
5.35132706 -31.53892583 -3.43791679
-0.00037827 -0.00072623 -0.00010611
0.01091036 -0.00463285 -0.00107241
4.55553996 -31.26405720 -0.48571259
0.00062164 0.00034212 -0.00006723
0.00520886 -0.01005022 0.00731901
-11.91618131 -3.41961149 -8.90184673
-0.00071893 0.00000779 -0.00068314
0.00602897 0.01472305 -0.00385317
-12.50748884 -1.19855069 -10.78316746
0.00015682 0.00057169 -0.00027246
0.01375699 -0.00281663 0.01799480
-39.01836012 1.98549657 1.11154470
0.00052538 0.00033042 0.00031609
-0.00415324 0.00369353 0.00251298
-37.95760820 3.90467370 -0.97160320
0.00005448 -0.00016332 0.00007045
0.00885109 -0.02760893 0.02471786
-10.58619512 -5.67949179 3.40652975
-0.00025267 -0.00040616 -0.00050321
-0.01836549 0.03125508 0.00820813
-10.73842978 -2.59746773 3.72915030
-0.00011091 0.00020251 0.00045541
-0.00409446 -0.02343489 0.00538539
4.58361307 -2.30567875 8.34371258
-0.00064758 0.00070547 -0.00028919
-0.00422985 -0.02961605 0.01127977
4.14416169 -3.67785889 10.90089924
-0.00125247 -0.00047511 -0.00001089
0.00256566 -0.00526745 -0.00517383
-33.75828279 -1.47817894 -0.22377439
-0.00095412 0.00069012 0.00098841
-0.00606615 -0.00419915 -0.00315228
-32.84325653 0.97499313 0.90565894
-0.00086381 0.00136095 0.00040907
0.00214282 -0.00001454 -0.00817181
14.00656205 12.67997270 -15.39126992
-0.00114442 0.00029833 0.00128980
-0.00851648 0.00695194 -0.06316032
16.30333208 12.32140873 -13.52371611
-0.00040536 0.00071012 -0.00040451
-0.04649857 0.00277170 -0.01350647
-8.61023669 7.34317990 1.65256108
0.00067743 0.00014852 0.00037740
0.00453418 -0.00151136 0.00721426
-7.38930674 4.82573729 1.17016878
0.00001242 0.00079968 0.00038833
-0.00531584 0.02210540 0.03964540
6.07284455 12.36187837 -7.18953586
-0.00018566 0.00020845 -0.00108212
0.01236811 0.00175867 0.00424611
8.88358117 13.58759379 -6.68277645
-0.00021702 -0.00060308 0.00019747
-0.01669584 -0.01391196 0.00859958
8.46368459 8.67493217 -20.33338463
-0.00005146 -0.00058129 0.00052034
0.00832173 0.01563892 0.01655897
10.13391361 11.12005966 -19.66573431
0.00082318 -0.00040976 0.00060734
-0.01054575 -0.02004636 0.01109807
23.99028908 15.75792356 -2.69946327
0.00070892 0.00044277 -0.00032937
0.00352827 -0.02859996 -0.00616168
24.72356925 18.37853231 -2.46573112
-0.00081480 0.00075549 -0.00097527
-0.01105042 0.00572105 -0.00276948
1.83945273 16.88233821 -21.41576014
0.00032743 0.00025644 0.00097863
-0.01616661 0.00356180 -0.01432037
3.56244830 15.58108208 -19.56210188
0.00002252 0.00067023 -0.00045923
-0.02372173 0.01140537 0.01260532
12.50170527 -1.10781187 -6.81411115
0.00055105 -0.00143773 -0.00104046
0.00320893 0.00004845 -0.00376069
13.40320303 -0.90236411 -3.99000151
0.00023750 0.00026919 -0.00000178
-0.00112059 -0.00641695 -0.01960240
-17.59695520 -2.14512205 2.51065393
-0.00082291 0.00011774 -0.00012076
0.01685558 0.00490081 0.01770188
-14.70990839 -2.64494896 3.01952774
-0.00084659 -0.00058265 -0.00132947
-0.00791929 0.00460421 0.00682092
-16.71548650 -0.73235120 20.10071463
-0.00037730 0.00018506 -0.00026103
0.00679470 0.00817203 -0.00398158
-15.26220266 -3.23438589 19.75889303
0.00087102 -0.00029264 0.00067962
-0.01132346 0.01434599 -0.01335520
-0.45431056 0.44994551 -4.88044190
-0.00023178 -0.00008316 0.00002727
-0.01133954 -0.00847908 -0.00556962
-0.84287911 3.36335624 -4.94969119
-0.00046463 -0.00117939 0.00003899
-0.00106848 -0.00313913 -0.00272657
23.44389222 -8.84515094 -9.13430638
-0.00046093 -0.00000446 -0.00014190
-0.00223784 0.03163433 0.00186478
24.04856588 -5.81924465 -8.60071537
-0.00048520 0.00038468 0.00058142
-0.00827093 -0.01260141 0.00064897
0.20513516 -6.24995475 5.70366935
-0.00034510 -0.00031599 0.00024336
-0.00531283 0.00277253 -0.00919939
0.66538305 -6.27751523 8.45673687
0.00060885 -0.00090639 -0.00094910
-0.01212915 0.00862147 -0.00168314
-0.58046468 -2.72702015 -19.37308175
-0.00009433 0.00084120 -0.00095778
0.02314873 -0.01654896 0.00766857
-3.00697170 -1.99834511 -20.59760351
0.00021754 -0.00035189 0.00043191
0.01010012 0.01296088 0.01733080
2.65546321 2.90397517 -10.68639298
0.00032599 0.00124640 0.00038306
0.00407119 -0.00543816 0.00071441
2.12975016 2.14725753 -7.87782581
-0.00008109 -0.00170911 -0.00011351
-0.01553226 0.00446484 0.01726582
-2.19415195 16.74223671 12.34163717
0.00122399 -0.00082703 -0.00036114
-0.01170271 0.00188566 -0.00050679
-3.62436189 18.69079443 13.91866046
-0.00067928 -0.00097803 0.00019580
0.00131456 -0.00322782 -0.01720998
-5.22550854 6.08648322 -11.17913115
-0.00077180 -0.00100599 0.00049773
-0.04168852 0.03605222 -0.00742646
-4.12267139 3.80249996 -12.29983736
-0.00123571 0.00021917 0.00013555
-0.00195056 -0.04470277 -0.04230376
-7.60005435 1.90729026 -7.35324023
-0.00009558 -0.00074700 -0.00024607
-0.01109075 0.00320803 -0.02058231
-6.31082731 3.30259221 -9.41974161
-0.00090074 -0.00031543 -0.00013660
0.03702947 0.01176232 -0.01176845
2.93892003 28.12899548 7.04279491
0.00024190 -0.00055763 0.00028337
-0.01096833 -0.01660677 0.02860837
1.02481347 28.55393402 9.16882546
0.00066856 0.00077463 -0.00043736
-0.01499069 0.00757177 0.00527183
10.60458219 -7.38686815 -0.82664465
-0.00011323 0.00010077 0.00014766
0.01613151 -0.02025878 0.02031516
8.50481207 -7.19121104 -2.82313940
-0.00023071 -0.00051717 0.00052671
-0.00661018 -0.01175697 -0.00249183
-7.08258545 0.36324026 6.71351806
-0.00071645 -0.00059573 0.00060322
0.01802548 0.00023381 -0.00279302
-9.73681097 -0.20212991 7.20938272
-0.00096255 0.00062486 0.00097899
-0.00182305 0.01195216 -0.01442529
21.60630073 10.49363698 10.16490070
-0.00060888 0.00099716 0.00082826
-0.01180399 0.00528284 -0.01015392
20.73185816 12.54266621 8.35562189
-0.00095807 0.00031602 0.00010236
0.00675687 0.03395421 -0.01245299
-1.09343105 -3.49076912 -26.42107784
0.00088157 0.00026739 0.00049920
-0.02450610 0.02638658 -0.01722505
-3.84215725 -2.05426257 -26.72436205
0.00119687 0.00010788 0.00030201
0.02631211 -0.00413143 -0.00317070
-13.81878045 7.27348172 9.22655960
0.00020868 0.00018782 0.00003224
0.00288120 -0.00954594 -0.00064244
-15.50367251 7.26967718 7.02890704
0.00038844 0.00031011 0.00098165
0.00774613 -0.00677728 -0.00222687
-11.31572036 7.75635092 -2.68709261
0.00019390 0.00074382 0.00078938
0.01269228 -0.00522220 -0.00165821
-8.47498969 8.22366472 -3.55617587
-0.00036024 0.00025839 -0.00039691
-0.01235693 0.00064634 -0.00159661
-0.96674807 -16.92474814 22.99343728
-0.00057542 0.00068651 -0.00052953
-0.00444298 -0.01165837 -0.00263155
-3.46025028 -15.55042467 23.73086003
0.00040593 -0.00033450 -0.00071077
-0.08369344 -0.01656664 0.01786223
-2.35729365 6.35638292 -7.98722349
-0.00102817 0.00039917 0.00040034
-0.00699243 -0.00456519 -0.00437478
-4.47672745 6.89397111 -5.95271446
0.00043749 -0.00101654 0.00006712
0.02506532 -0.00184778 -0.00310394
-21.36794390 29.79461342 3.09448940
-0.00093854 -0.00078685 -0.00047720
-0.01764765 -0.00016039 -0.00734451
-21.06144742 31.04938319 5.68504802
-0.00045374 -0.00028901 0.00069291
-0.02325047 0.00870112 0.01882825
6.95909243 -0.06924155 6.04690634
-0.00058657 0.00120782 -0.00020305
-0.00998332 -0.00852953 -0.02771138
7.50816026 2.10894342 7.84548615
-0.00081600 -0.00001191 -0.00095528
-0.00254899 -0.00135101 0.00285275
7.11591391 12.76687302 -13.75678547
-0.00006055 0.00009251 0.00164789
0.00598737 0.00508459 0.00466710
4.52931632 11.79651066 -14.94587535
-0.00027711 0.00013605 -0.00090889
0.02938170 -0.00468260 0.03226442
14.33732459 3.73466820 -2.80902053
-0.00035592 0.00034717 0.00083122
0.00138640 0.00271073 0.00410138
14.87142983 1.00863700 -1.94037537
-0.00031838 -0.00027320 0.00033944
0.01346485 0.03187906 0.01023230
-2.65509792 12.91023857 -0.43900366
-0.00023916 -0.00091890 0.00030546
-0.01253447 -0.00186820 0.00822661
-5.58931808 13.02208335 0.63478342
-0.00030028 0.00011624 0.00032462
0.01494408 -0.00424317 -0.00374768
3.47673010 11.13014629 3.28487103
-0.00147926 0.00011233 -0.00067361
-0.00351887 -0.00675034 -0.00383766
6.32016527 11.61242417 2.94260905
-0.00036821 -0.00090350 0.00013055
0.02309421 -0.01256863 0.00668745
25.28300778 -12.45214513 -8.36347924
0.00020690 0.00011504 -0.00014547
-0.00483339 -0.01419846 0.01562261
26.63680924 -11.70581392 -10.86938410
0.00105558 -0.00014023 -0.00040467
0.00015841 0.00840243 -0.01359225
14.96757641 -3.51415034 0.00030202
0.00033101 0.00106568 0.00146937
0.00857197 0.00537796 -0.00294472
17.02778793 -5.52244601 -0.55217852
-0.00023781 -0.00032963 0.00005688
-0.00043908 0.02709383 -0.00752565
12.32972049 7.90259292 11.74385791
-0.00084621 -0.00062988 0.00015743
-0.01807455 0.00249930 0.02864998
13.47850596 9.76574740 9.77049668
-0.00007628 0.00001456 -0.00050316
-0.00438419 -0.00864335 -0.00185138
-0.07739051 -14.73967466 17.28246014
0.00039624 0.00029910 0.00052755
-0.00328250 0.01119617 0.00394602
1.51298381 -12.40915149 18.43255398
-0.00008956 0.00008161 0.00072182
-0.00464236 -0.00425636 0.00095373
-3.97962897 -2.27732548 -13.12354922
-0.00028625 0.00081365 0.00076786
0.00533741 0.02711342 -0.01850718
-3.33265719 -1.20367874 -15.83678566
0.00060951 -0.00107917 -0.00051585
0.01572596 -0.01179180 -0.02421182
14.72631209 -8.22897453 -10.53140684
0.00032677 -0.00043399 -0.00067367
-0.01000397 -0.00144569 -0.00966546
16.35836348 -6.15187881 -9.22398221
0.00054429 0.00123410 0.00112845
-0.00840738 -0.01505865 0.00326742
6.75090254 -6.08320310 8.61298494
0.00026979 -0.00017643 -0.00092550
0.02675668 0.00314339 0.00174286
9.68777658 -6.57783037 7.58397514
0.00001265 -0.00010672 0.00055043
-0.02895443 0.00245360 0.02011147
-21.82321132 2.00679586 21.10765068
0.00026563 0.00001286 0.00099006
0.00716544 0.00028580 -0.00958927
-22.32496601 1.38371705 23.88978272
-0.00085434 0.00039291 -0.00006746
0.01034400 -0.00207764 -0.00619428
26.72927544 -2.94680189 -6.63357155
0.00001675 -0.00005120 -0.00028754
-0.00248239 -0.00345475 -0.00313888
25.27329336 -1.53267123 -8.65551900
0.00011861 -0.00019305 -0.00046988
-0.00510705 0.01253737 -0.00526337
9.69419436 -15.72018401 -7.65715078
0.00094490 0.00070547 -0.00052783
0.00161379 0.01543892 -0.01250018
9.30112540 -13.00172698 -6.82665528
0.00050672 0.00001191 -0.00013745
-0.00461329 0.01118994 -0.00118229
-5.96771410 -11.29754037 18.30213731
-0.00000245 -0.00027908 0.00001668
-0.01032375 -0.01410450 -0.02843151
-7.07059871 -11.44827957 15.47156683
0.00049624 0.00007331 -0.00000881
0.00127571 0.00679375 0.00403461
8.40378206 1.35843497 -29.37221660
-0.00050881 0.00005481 -0.00044959
-0.00597235 0.02530670 -0.00257828
6.15571200 3.17939935 -29.89797578
-0.00044016 -0.00137755 -0.00018565
-0.02025844 -0.00888761 -0.01615095
12.69578685 15.27976668 14.68241091
0.00041519 -0.00111089 -0.00057810
0.01119220 -0.00730594 -0.01514802
11.21448872 15.88419841 17.20668336
0.00013220 0.00046302 0.00090672
-0.00585111 -0.00270611 -0.03007727
29.25244587 4.84619416 -4.52644734
0.00011891 0.00044296 -0.00006960
0.00527504 0.00384919 0.00099013
26.99404026 6.50355776 -3.90812495
-0.00006603 0.00082783 0.00033661
-0.01902399 0.01071173 -0.00001303
-9.94382026 4.87383616 6.62185212
-0.00001547 0.00012388 -0.00023668
-0.00127042 0.01312592 0.00127844
-8.75466677 13.33868523 2.59492168
-0.00010324 0.00006224 -0.00000209
-0.00529916 -0.00027045 0.00003421
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09416501
0.32032239
426.81351946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3651403716 (a.u.)
total exchange computation time: 2.7022800446 s
-154.2802610075
-931.41229871
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3649242944 (a.u.)
total exchange computation time: 2.7027959824 s
-154.2829006570
Anderson extrapolation: theta=1.3393538616 (1.3393538616)
-931.41254239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3645649873 (a.u.)
total exchange computation time: 2.7041139603 s
-154.2869818136
Anderson extrapolation: theta=0.0506040022 (0.0506040022)
-931.41268705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3644866021 (a.u.)
total exchange computation time: 2.7022080421 s
-154.2876978486
Anderson extrapolation: theta=1.8634103078 (1.8634103078)
-931.41269211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3643157175 (a.u.)
total exchange computation time: 2.7019510269 s
-154.2891796872
Anderson extrapolation: theta=0.2176484735 (0.2176484735)
-931.41269703
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3642683200 (a.u.)
total exchange computation time: 2.7062058449 s
-154.2895294408
Anderson extrapolation: theta=1.8640766341 (1.8640766341)
-931.41269793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3641929676 (a.u.)
total exchange computation time: 2.7023980618 s
-154.2900250559
Anderson extrapolation: theta=0.2883405222 (0.2883405222)
-931.41269906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3641857766 (a.u.)
total exchange computation time: 2.7029168606 s
-154.2900109902
Anderson extrapolation: theta=1.2902170474 (1.2902170474)
-931.41269938
-71.754337 67.755636 98.165649
559.400645 1031.393468 -410.280105
487.646308 1099.149105 -312.114457
1242.313612
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3641881833 (a.u.)
total exchange computation time: 2.7039771080 s
678.80208250
-1083.39953289
89.85725272
-389.45273662
-174.85557721
78.11210671
551.60419304
0.00000000
-931.41269970
4.05062453 -31.11130037 -2.23052639
0.00014804 -0.00053595 0.00008518
-0.02285229 0.00841345 -0.00829534
-11.47718294 -1.62539677 -9.27528969
0.00005451 0.00042145 -0.00006785
-0.03387078 -0.02179889 -0.01944118
-37.50779070 2.41596334 0.21162153
-0.00012035 -0.00006518 0.00013803
0.00172599 0.03342801 -0.03470813
-11.72319865 -4.17924236 3.93681117
-0.00000131 -0.00007153 0.00015814
0.02501375 -0.00511828 -0.01088868
4.16729765 -4.01075694 9.07201725
-0.00021873 -0.00014751 -0.00035515
0.00738474 0.03029461 -0.01133617
-32.34658719 -0.35333072 -0.25433157
-0.00050678 0.00005414 0.00027408
-0.00566122 0.00197213 0.01457842
14.36942586 12.52380659 -13.70345934
-0.00014966 -0.00014539 0.00021329
0.06598467 -0.00891036 0.07890239
-7.72634600 6.07377353 2.66622562
-0.00005154 -0.00000603 0.00001235
0.00370374 -0.02549462 -0.04448460
7.44556801 12.39129741 -5.96214340
-0.00025720 -0.00032713 -0.00019693
0.00132653 0.01247284 -0.01462430
8.81803265 9.92673378 -18.98468017
-0.00001817 0.00005804 -0.00020449
0.01167732 -0.00614594 -0.02836811
23.19970212 17.32219289 -2.23646349
-0.00023343 0.00000573 -0.00011590
0.01285656 0.02441751 -0.00558781
2.11201873 16.82619475 -19.62691621
-0.00009425 -0.00007180 -0.00018758
0.03475157 -0.01337922 0.02417406
14.00033135 -1.05833713 -5.74212057
-0.00013169 0.00028998 -0.00015246
0.00256270 0.00079256 0.02780292
-16.05091565 -1.36405870 3.24509992
0.00011709 0.00013832 0.00011734
-0.02003646 -0.02786332 -0.01950506
-16.41158259 -2.06390047 18.85573449
0.00051139 -0.00031377 -0.00027537
0.01044212 -0.02030710 0.02476493
0.44837471 2.05800973 -4.83701276
0.00017961 0.00024002 0.00024627
0.00854856 0.01080191 0.00449304
22.71689968 -7.10777427 -8.82434730
0.00027800 0.00000976 0.00005056
0.00042541 -0.01725190 -0.00492791
-0.75593119 -6.31257279 7.26035445
-0.00010622 0.00002924 0.00008273
0.01725059 -0.01003705 0.01175494
-1.72938332 -1.36354701 -19.32745595
0.00000989 -0.00004181 -0.00000566
-0.04406292 0.00491362 -0.02198001
3.20021508 1.80787984 -9.29766168
-0.00008588 -0.00031623 0.00010640
0.01010724 0.00449539 -0.01973008
-3.80992238 17.73490537 12.30377334
0.00015534 0.00001393 0.00005168
0.02851532 0.00598262 0.01519384
-3.83862906 5.03007167 -11.11491064
0.00013958 0.00017149 -0.00009369
0.04780816 0.01430957 0.03377942
-7.93212471 2.82906891 -8.95771835
0.00021750 -0.00021942 0.00012405
-0.03939106 -0.01780478 0.03476181
2.38414452 27.46811780 8.73825241
0.00020885 0.00007126 0.00025096
0.01763420 0.00318529 -0.03006225
9.64789117 -6.24551080 -1.79521916
-0.00030754 0.00001932 0.00007744
-0.01162594 0.03104467 -0.01461169
-8.71958342 0.81853445 6.02459579
0.00017199 0.00003617 0.00005003
-0.02055023 -0.02341446 0.02338437
20.38866999 10.85163437 8.79803397
0.00017157 0.00006733 -0.00016603
0.00643773 -0.03658005 0.02012943
-2.09299589 -2.13906296 -27.43728666
0.00018967 -0.00004558 -0.00034741
-0.00482358 -0.02916487 0.02277931
-14.29467159 6.14619760 7.84972044
0.00010255 -0.00005913 0.00027545
0.00027934 0.01383360 0.00427853
-9.56376945 7.28026906 -2.35708995
-0.00012011 -0.00016326 0.00050563
-0.01512950 -0.00229214 0.00763176
-1.80797060 -15.35726128 23.41361158
0.00011228 0.00040574 -0.00037029
0.08896382 0.02744841 -0.01568971
-2.69658358 6.32833250 -6.19549809
-0.00009603 0.00002056 0.00018843
-0.01591920 -0.00023261 0.01025648
-20.20100872 30.66134207 4.17829490
-0.00018153 -0.00071565 -0.00011595
0.02498525 -0.00308409 -0.00027128
7.66499892 0.29509789 7.65200067
0.00020146 0.00025788 -0.00018261
0.01290318 0.01424902 0.03043972
5.74891688 11.51952184 -13.49557686
0.00012074 -0.00021610 0.00029079
-0.04362661 -0.02513932 -0.04539369
15.53660053 2.76354933 -1.80842511
0.00007488 -0.00003671 0.00021158
-0.00620072 -0.01756679 -0.00440118
-4.41223569 13.28896811 -0.79864971
-0.00009855 -0.00033220 0.00008398
-0.00081248 0.00087542 -0.00941273
4.71333976 12.43422487 2.85258633
0.00028325 0.00026252 -0.00055456
-0.03019434 0.02287440 -0.00397878
25.07088732 -11.55025554 -9.90707919
-0.00003197 0.00018606 -0.00010594
-0.00444909 -0.00205187 0.00621211
16.68552297 -3.63619778 -0.66482136
0.00034002 0.00025123 -0.00026155
-0.00560877 -0.03049710 0.01179411
13.14990944 7.97785088 10.16931173
0.00042534 -0.00000402 0.00017359
0.02484431 -0.00568528 -0.03137881
1.60371940 -14.03421391 17.60176609
0.00011537 -0.00018947 -0.00019269
0.02118853 0.00728300 -0.00067443
-3.89060258 -0.71791684 -14.22050867
0.00042313 0.00000359 0.00022388
-0.01992570 -0.01169801 0.03485227
15.03996229 -7.56714365 -8.87611049
-0.00018975 0.00019953 0.00013224
0.01711981 0.00272886 0.00093604
8.39215814 -7.03633699 8.88893036
-0.00011827 -0.00010954 0.00016596
0.01610822 0.02242936 -0.02158905
-21.12929835 2.29478677 22.77510439
0.00015759 0.00008131 0.00002369
-0.01239573 0.00226053 0.02033723
25.68473453 -3.22997061 -8.12867783
0.00003128 0.00019065 -0.00019045
0.01279887 -0.00128842 0.01197128
9.88282698 -13.95179117 -8.27171994
0.00004695 0.00007348 -0.00035085
-0.00221281 -0.02669745 0.01179442
-6.73650004 -12.44343870 16.97178462
-0.00001324 0.00010802 0.00004424
0.02425028 0.02188672 0.01923804
7.85793151 3.15482793 -29.33795255
-0.00037612 -0.00033054 0.00009303
0.02669722 -0.01928760 0.00935808
10.96529477 15.48014288 15.36336186
0.00024657 0.00035188 0.00002293
-0.01165119 0.01810503 0.04491131
28.70313779 6.21187101 -3.39438970
0.00012610 0.00014967 -0.00028654
0.01292130 -0.00667467 0.00798808
5.34598741 -31.54996128 -3.43954137
-0.00033155 -0.00074555 -0.00011220
0.01195886 -0.00482193 -0.00190490
4.56502418 -31.25923335 -0.48649671
0.00064340 0.00030065 -0.00003600
0.00544187 -0.01025106 0.00796543
-11.92678059 -3.41904341 -8.91221196
-0.00069211 0.00007258 -0.00069858
0.00710077 0.01698905 -0.00370104
-12.50471503 -1.19006163 -10.78670299
0.00021391 0.00056071 -0.00019786
0.01419204 -0.00256002 0.01852504
-39.01060676 1.99056600 1.11636308
0.00050094 0.00034333 0.00033064
-0.00780872 0.00262958 0.00460902
-37.95651970 3.90137783 -0.96978894
0.00009019 -0.00027508 0.00017067
0.00862613 -0.02709461 0.02433975
-10.59054788 -5.68462645 3.39923317
-0.00032805 -0.00027610 -0.00046853
-0.01853566 0.03241145 0.00876774
-10.74021892 -2.59514821 3.73614650
-0.00012803 0.00010524 0.00047713
-0.00428273 -0.02417749 0.00524755
4.57376973 -2.29600417 8.33972033
-0.00066594 0.00057785 -0.00023986
-0.00475683 -0.03285690 0.01286906
4.12545325 -3.68514697 10.90057742
-0.00124101 -0.00049681 -0.00003630
0.00304316 -0.00535192 -0.00726800
-33.77278042 -1.46795575 -0.20904484
-0.00097895 0.00067236 0.00097501
-0.00609148 -0.00449467 -0.00340452
-32.85614798 0.99540693 0.91154459
-0.00085021 0.00134886 0.00036534
0.00451497 -0.00590232 -0.01323220
13.98913474 12.68466065 -15.37385837
-0.00118305 0.00032885 0.00101743
-0.01039304 0.00799130 -0.07016410
16.29582679 12.33214539 -13.53019758
-0.00059124 0.00072010 -0.00045935
-0.04449216 0.00211757 -0.01334027
-8.59993633 7.34536138 1.65844311
0.00069245 0.00014721 0.00040366
0.00281844 0.00086873 0.00564324
-7.38928338 4.83840987 1.17720864
-0.00000815 0.00088437 0.00054527
-0.00475380 0.01935125 0.03717820
6.07043863 12.36505905 -7.20563751
-0.00013022 0.00021540 -0.00105948
0.01476868 0.00164289 0.00683572
8.87981431 13.57812128 -6.67955088
-0.00028350 -0.00065761 0.00023218
-0.01584757 -0.01277905 0.00839199
8.46316775 8.66669203 -20.32507218
-0.00001675 -0.00051739 0.00058604
0.00866689 0.01564262 0.01560262
10.14593818 11.11329897 -19.65628409
0.00077942 -0.00049158 0.00065093
-0.01087558 -0.02000244 0.01023950
24.00103098 15.76368874 -2.70459258
0.00072217 0.00032704 -0.00035352
0.00295721 -0.02805070 -0.00565986
24.71100858 18.39003991 -2.48044500
-0.00086015 0.00077814 -0.00098533
-0.01114764 0.00537064 -0.00215463
1.84386884 16.88629389 -21.40151953
0.00025818 0.00027176 0.00090134
-0.01773311 0.00393878 -0.02351312
3.56205916 15.59148497 -19.56860410
-0.00007056 0.00071325 -0.00040670
-0.02183887 0.00965677 0.01310949
12.51006942 -1.12937638 -6.82983329
0.00056304 -0.00143670 -0.00105341
0.00266028 0.00045844 -0.00257840
13.40673122 -0.89852295 -3.99062884
0.00023104 0.00024265 -0.00008334
-0.00204459 -0.00657235 -0.02032373
-17.60878234 -2.14320575 2.50938492
-0.00074613 0.00014304 -0.00004441
0.02072725 0.00748283 0.01967371
-14.72284992 -2.65354767 2.99979466
-0.00087691 -0.00056282 -0.00129971
-0.00692112 0.00510650 0.00774580
-16.72093784 -0.72932491 20.09667717
-0.00034775 0.00021254 -0.00028218
0.00767253 0.00528237 -0.00637014
-15.24948432 -3.23833591 19.76867810
0.00081979 -0.00022922 0.00062099
-0.01375436 0.01669983 -0.01534474
-0.45813479 0.44843832 -4.88020349
-0.00027313 -0.00011328 0.00000485
-0.00889787 -0.00626734 -0.00540374
-0.84988130 3.34556922 -4.94918990
-0.00047301 -0.00118430 0.00002726
-0.00303290 0.00073695 -0.00301497
23.43690966 -8.84424852 -9.13637771
-0.00046687 0.00012240 -0.00013443
-0.00066758 0.03046581 0.00179293
24.04103443 -5.81386059 -8.59197422
-0.00051519 0.00033439 0.00058396
-0.00640866 -0.01201491 0.00059449
0.19979590 -6.25460957 5.70703779
-0.00036605 -0.00030433 0.00020108
-0.00494384 0.00293195 -0.01149649
0.67414420 -6.29084696 8.44244874
0.00056025 -0.00087060 -0.00095268
-0.01166247 0.00890237 -0.00006839
-0.58117022 -2.71490921 -19.38721344
0.00000923 0.00076482 -0.00092616
0.02754330 -0.02084162 0.00780892
-3.00339914 -2.00322631 -20.59059373
0.00025481 -0.00029928 0.00049942
0.00814403 0.01279250 0.01571169
2.66047782 2.92250448 -10.68062514
0.00034432 0.00121887 0.00039233
0.00489958 -0.00803813 0.00382207
2.12805790 2.12175764 -7.87899932
-0.00014849 -0.00168837 -0.00003836
-0.01746443 0.00569084 0.01951664
-2.17615064 16.72988906 12.33620455
0.00116458 -0.00081152 -0.00036154
-0.01737999 0.00570346 0.00031153
-3.63451081 18.67602513 13.92107012
-0.00067122 -0.00098763 0.00013016
0.00262999 -0.00147143 -0.01492147
-5.23836298 6.07249808 -11.17189271
-0.00094082 -0.00085841 0.00046959
-0.04105068 0.03618994 -0.00635220
-4.14126684 3.80441764 -12.29910037
-0.00124211 0.00003737 -0.00003470
-0.00118318 -0.04428683 -0.04103738
-7.60182783 1.89618360 -7.35756196
-0.00013990 -0.00073461 -0.00032824
-0.01060704 0.00285551 -0.01964226
-6.32320371 3.29822113 -9.42215119
-0.00073226 -0.00026291 -0.00018886
0.04544124 0.01394752 -0.01381533
2.94221237 28.12012221 7.04792205
0.00019888 -0.00062444 0.00039685
-0.01008847 -0.01609920 0.02694500
1.03438248 28.56578547 9.16242662
0.00060632 0.00080595 -0.00041455
-0.01547741 0.00776086 0.00589471
10.60337812 -7.38597739 -0.82380717
-0.00004837 0.00002020 0.00022952
0.01561822 -0.01918276 0.01975471
8.50114885 -7.19932891 -2.81531504
-0.00025792 -0.00056469 0.00051602
-0.00670850 -0.01150319 -0.00274324
-7.09277977 0.35431147 6.72248083
-0.00063672 -0.00059592 0.00059346
0.02099987 -0.00032458 -0.00198491
-9.75130505 -0.19239079 7.22362557
-0.00096370 0.00067959 0.00091220
0.00126039 0.01484203 -0.01826932
21.59680574 10.50875628 10.17701352
-0.00065679 0.00101826 0.00078586
-0.01164445 0.00504642 -0.01060166
20.71769411 12.54844691 8.35677566
-0.00093048 0.00045420 0.00005170
0.00674852 0.03368798 -0.01234308
-1.08095849 -3.48594975 -26.41411773
0.00077946 0.00037673 0.00042614
-0.02547395 0.02713834 -0.01853485
-3.82339789 -2.05277097 -26.71992913
0.00129505 0.00009174 0.00029184
0.02174865 -0.00376725 -0.00180752
-13.81556194 7.27600649 9.22702350
0.00022157 0.00014795 0.00003078
0.00342946 -0.00997068 -0.00007064
-15.49760854 7.27412109 7.04356359
0.00041625 0.00028444 0.00096908
0.00586792 -0.00578814 -0.00392694
-11.31242293 7.76734823 -2.67530277
0.00024282 0.00072199 0.00078303
0.01125459 -0.00546413 -0.00144892
-8.48077189 8.22756042 -3.56217840
-0.00041311 0.00025694 -0.00039820
-0.01352313 -0.00135670 0.00096392
-0.97551554 -16.91480778 22.98541367
-0.00058858 0.00063308 -0.00054263
-0.00199857 -0.01449447 -0.00378150
-3.45672603 -15.55594982 23.72074580
0.00006086 -0.00040184 -0.00063717
-0.08521897 -0.01639479 0.01816454
-2.37293050 6.36223055 -7.98135245
-0.00105377 0.00038005 0.00037680
-0.00553842 -0.00479180 -0.00714892
-4.46939708 6.87866635 -5.95180283
0.00052969 -0.00102113 0.00005712
0.02006871 -0.00039625 -0.00178852
-21.38256276 29.78280581 3.08710640
-0.00100394 -0.00078172 -0.00049985
-0.01436492 0.00266927 -0.00374453
-21.06896599 31.04531470 5.69601866
-0.00054060 -0.00025727 0.00075486
-0.01927009 0.00683551 0.01149629
6.94998802 -0.05138565 6.04301147
-0.00062534 0.00116999 -0.00031357
-0.00899536 -0.00998909 -0.02639058
7.49584210 2.10872332 7.83124431
-0.00082510 -0.00001270 -0.00094001
-0.00190417 0.00096358 0.00462412
7.11518906 12.76841641 -13.73192411
-0.00003507 0.00011448 0.00166501
0.00648631 0.00566977 0.00371488
4.52606003 11.79840791 -14.95852006
-0.00014853 0.00011545 -0.00076722
0.03356008 -0.00540099 0.03708469
14.33202832 3.73995875 -2.79642661
-0.00034902 0.00035670 0.00084873
0.00199099 0.00195535 0.00447285
14.86706675 1.00551582 -1.93497019
-0.00026216 -0.00013939 0.00038126
0.01405233 0.03362453 0.01023633
-2.65906944 12.89639777 -0.43416973
-0.00029035 -0.00092608 0.00033874
-0.01252439 -0.00164647 0.00806786
-5.59336442 13.02369691 0.63953784
-0.00023789 0.00009901 0.00030701
0.01559894 -0.00419168 -0.00487199
3.45443336 11.13162434 3.27464934
-0.00148123 0.00009634 -0.00069305
0.00255378 -0.00107590 -0.00568174
6.31534981 11.59848660 2.94477221
-0.00027375 -0.00095468 0.00015761
0.02314484 -0.01248568 0.00655779
25.28596311 -12.45085457 -8.36518259
0.00018647 0.00005764 -0.00008236
-0.00516734 -0.01390126 0.01526849
26.65264781 -11.70765987 -10.87587067
0.00104310 -0.00010393 -0.00045383
-0.00626545 0.00936758 -0.01047156
14.97280424 -3.49800030 0.02225232
0.00037489 0.00108649 0.00145306
0.01290961 0.00480944 -0.00503680
17.02420726 -5.52656027 -0.55155593
-0.00024016 -0.00021434 0.00002558
-0.00070862 0.02934480 -0.00779694
12.31647355 7.89322130 11.74709733
-0.00091444 -0.00061712 0.00026372
-0.01532781 0.00374664 0.02337836
13.47722739 9.76570091 9.76289257
-0.00009455 -0.00002155 -0.00050848
-0.00455950 -0.00903239 -0.00075113
-0.07154750 -14.73484507 17.29049438
0.00037646 0.00034061 0.00054183
-0.00640077 0.00912235 0.00304387
1.51149810 -12.40805775 18.44341047
-0.00010709 0.00005530 0.00072086
-0.00393622 -0.00862333 -0.00142104
-3.98375917 -2.26428984 -13.11259851
-0.00026383 0.00092021 0.00069376
0.00563647 0.02504756 -0.01776067
-3.32303272 -1.22022768 -15.84526537
0.00066713 -0.00112227 -0.00059643
0.01248159 -0.00930574 -0.01522953
14.73090702 -8.23552861 -10.54180810
0.00028936 -0.00043308 -0.00069978
-0.00830828 0.00188959 -0.00311306
16.36627023 -6.13382873 -9.20695540
0.00050531 0.00116621 0.00113911
-0.01067683 -0.01817680 0.00195167
6.75576923 -6.08575329 8.59915592
0.00037655 -0.00016260 -0.00091712
0.02550661 0.00362769 0.00235654
9.68707914 -6.57935599 7.59284781
-0.00010312 -0.00009683 0.00063034
-0.02771852 0.00238600 0.01900592
-21.81900736 2.00699754 21.12220778
0.00029028 0.00001244 0.00093705
0.00490323 -0.00049305 -0.01636060
-22.33746415 1.38954708 23.88858096
-0.00080749 0.00038712 -0.00009475
0.01258794 -0.00075825 -0.00716339
26.72945056 -2.94767576 -6.63798086
0.00000792 -0.00006460 -0.00029899
-0.00183594 -0.00310550 -0.00246361
25.27491603 -1.53518285 -8.66272850
0.00009724 -0.00013805 -0.00049211
-0.00535443 0.01438528 -0.00561696
9.70841728 -15.70912887 -7.66545131
0.00094971 0.00075905 -0.00057545
0.00074311 0.01078818 -0.01080867
9.30858486 -13.00120542 -6.82875319
0.00048770 0.00005770 -0.00014238
-0.00469924 0.01122225 -0.00123324
-5.96806716 -11.30215870 18.30151622
-0.00004348 -0.00033455 -0.00009728
-0.00976296 -0.01305187 -0.02735141
-7.06311598 -11.44697176 15.47155835
0.00050109 0.00010175 0.00000676
0.00109473 0.00712789 0.00358422
8.39596683 1.36003257 -29.37903941
-0.00052969 0.00015267 -0.00045909
-0.00424832 0.02259873 -0.00207332
6.14848887 3.15846376 -29.90125542
-0.00052072 -0.00141198 -0.00025029
-0.01917811 -0.00796642 -0.01549042
12.70235771 15.26287951 14.67327519
0.00045650 -0.00113876 -0.00063644
0.00902688 -0.00633864 -0.01340719
11.21629245 15.89106076 17.21936245
0.00010829 0.00044983 0.00077412
-0.00585204 -0.00374731 -0.03482889
29.25439114 4.85295644 -4.52746099
0.00014023 0.00045541 -0.00006896
0.00515986 0.00224720 -0.00067485
26.99246684 6.51630340 -3.90307617
-0.00014085 0.00086986 0.00033628
-0.01759775 0.00986396 -0.00015193
-9.94405577 4.87572963 6.61830535
-0.00001592 0.00012857 -0.00023620
-0.00121027 0.01307326 0.00140044
-8.75622466 13.33961836 2.59489046
-0.00010447 0.00006217 -0.00000207
-0.00527536 -0.00036151 0.00013619
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09409370
0.31860600
424.52652022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3626785290 (a.u.)
total exchange computation time: 2.6362411976 s
-154.2620376415
-931.41365367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3623967937 (a.u.)
total exchange computation time: 2.6375401020 s
-154.2650027835
Anderson extrapolation: theta=1.4107001829 (1.4107001829)
-931.41392717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3618854676 (a.u.)
total exchange computation time: 2.6362659931 s
-154.2698976694
Anderson extrapolation: theta=0.0774799471 (0.0774799471)
-931.41410880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3617529217 (a.u.)
total exchange computation time: 2.6366910934 s
-154.2709029914
Anderson extrapolation: theta=2.3901411224 (2.0000000000)
-931.41412171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3614539092 (a.u.)
total exchange computation time: 2.6362540722 s
-154.2730486445
Anderson extrapolation: theta=0.4442662676 (0.4442662676)
-931.41414019
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3613190154 (a.u.)
total exchange computation time: 2.6377050877 s
-154.2739045774
Anderson extrapolation: theta=0.8680338569 (0.8680338569)
-931.41414611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3612479702 (a.u.)
total exchange computation time: 2.7395949364 s
-154.2744285250
Anderson extrapolation: theta=-0.2213017848 (-0.2213017848)
-931.41417544
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3612803161 (a.u.)
total exchange computation time: 2.7396209240 s
-154.2741555103
Anderson extrapolation: theta=1.9208906894 (1.9208906894)
-931.41417586
-71.772515 67.760654 98.161769
559.363761 1031.390315 -410.249413
487.591246 1099.150969 -312.087645
1242.286913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3613363307 (a.u.)
total exchange computation time: 2.7626779079 s
678.73152763
-1083.26079711
89.86707362
-389.54640224
-174.84424232
78.03980229
551.60419304
0.00000000
-931.41417676
4.05275691 -31.11930719 -2.22928071
0.00013602 -0.00053149 0.00008096
-0.02387056 0.00895262 -0.00810893
-11.47649589 -1.61915914 -9.27638248
0.00003684 0.00040959 -0.00007794
-0.03487182 -0.02432292 -0.01979334
-37.50958934 2.41511465 0.21355808
-0.00011848 -0.00004800 0.00011985
0.00555873 0.03337883 -0.03598401
-11.72312175 -4.18033505 3.93914133
0.00001145 -0.00007428 0.00015251
0.02457658 -0.00558915 -0.01101022
4.16404525 -4.01285271 9.06664634
-0.00021492 -0.00013133 -0.00036082
0.00742474 0.03261478 -0.01073085
-32.35421070 -0.35251097 -0.25016416
-0.00051022 0.00005660 0.00028277
-0.00773078 0.00759094 0.01921049
14.36743550 12.52159139 -13.69995570
-0.00011623 -0.00014998 0.00025456
0.06399362 -0.00894376 0.08160033
-7.72710477 6.07358476 2.66623935
-0.00004940 -0.00001889 -0.00000923
0.00461612 -0.02451825 -0.03944031
7.44171512 12.38643861 -5.96515377
-0.00025723 -0.00032090 -0.00020496
-0.00142240 0.01175414 -0.01657908
8.81780517 9.92758069 -18.98785698
-0.00001226 0.00005486 -0.00021845
0.01131280 -0.00623625 -0.02589903
23.19625019 17.32237308 -2.23822361
-0.00022653 0.00001801 -0.00011907
0.01398099 0.02332093 -0.00670928
2.11073907 16.82506608 -19.62963670
-0.00007655 -0.00007826 -0.00017306
0.03408593 -0.01174186 0.03228647
13.99836589 -1.05398437 -5.74430021
-0.00013001 0.00029034 -0.00013846
0.00398390 0.00060030 0.02663954
-16.04923657 -1.36209143 3.24678472
0.00010568 0.00012339 0.00010669
-0.02433040 -0.03018102 -0.02190206
-16.40387151 -2.06868530 18.85169949
0.00051694 -0.00032395 -0.00026167
0.01117267 -0.01928991 0.02851054
0.45110179 2.06165169 -4.83330134
0.00018388 0.00024389 0.00024856
0.00807306 0.00426604 0.00440410
22.72107134 -7.10769448 -8.82360795
0.00027722 0.00000122 0.00004803
-0.00346279 -0.01595886 -0.00491334
-0.75745793 -6.31217284 7.26164070
-0.00009761 0.00002403 0.00008886
0.01623236 -0.01024812 0.01211178
-1.72940488 -1.36415527 -19.32762563
-0.00001315 -0.00003828 -0.00001639
-0.04553291 0.00882742 -0.01973542
3.19896589 1.80315377 -9.29614171
-0.00008052 -0.00031341 0.00009511
0.01071693 0.00645654 -0.02417885
-3.80748231 17.73513733 12.30460708
0.00017089 0.00001561 0.00005881
0.03197284 0.00055866 0.01255269
-3.83635088 5.03269915 -11.11618570
0.00016313 0.00017860 -0.00007741
0.04375960 0.01336437 0.02953746
-7.92901409 2.82570895 -8.95572346
0.00019540 -0.00022885 0.00014197
-0.04657408 -0.01887363 0.03489902
2.38734523 27.46919898 8.74190087
0.00021761 0.00007275 0.00023608
0.01644890 0.00262189 -0.02782543
9.64323329 -6.24510131 -1.79411386
-0.00031326 0.00003468 0.00007025
-0.01062330 0.02870742 -0.01335693
-8.71708288 0.81898662 6.02543638
0.00016011 0.00002368 0.00006273
-0.02562558 -0.02514546 0.02600143
20.39126830 10.85250318 8.79562111
0.00017490 0.00004899 -0.00015581
0.00654623 -0.03473824 0.01962904
-2.09016944 -2.13985916 -27.44241001
0.00018867 -0.00006076 -0.00033583
0.00092264 -0.02985191 0.02225037
-14.29313221 6.14536401 7.85386865
0.00010303 -0.00005221 0.00027788
0.00157158 0.01306869 0.00518071
-9.56562949 7.27781132 -2.34947610
-0.00012705 -0.00016385 0.00050882
-0.01186507 -0.00000265 0.00479092
-1.80594317 -15.35106931 23.40799674
0.00015654 0.00042035 -0.00037796
0.08312815 0.02937241 -0.01416350
-2.69808550 6.32863994 -6.19263201
-0.00010312 0.00002004 0.00019399
-0.01163080 -0.00176905 0.01134357
-20.20363523 30.65059537 4.17655458
-0.00017047 -0.00071715 -0.00011509
0.01801029 -0.00272609 0.00360293
7.66807054 0.29902110 7.64937895
0.00020764 0.00026489 -0.00016798
0.01114670 0.01299733 0.02645573
5.75055963 11.51618331 -13.49139006
0.00009757 -0.00022905 0.00026664
-0.04645206 -0.02518709 -0.04852094
15.53769988 2.76293093 -1.80526842
0.00007146 -0.00004580 0.00020920
-0.00709661 -0.01777245 -0.00483925
-4.41371704 13.28398842 -0.79742624
-0.00009916 -0.00033179 0.00007943
-0.00155612 0.00073051 -0.00828285
4.71747201 12.43825087 2.84425260
0.00026674 0.00027286 -0.00055614
-0.03400357 0.01736072 -0.00215632
25.07039057 -11.54747260 -9.90864431
-0.00003275 0.00018467 -0.00010329
0.00143972 -0.00334940 0.00410151
16.69060166 -3.63254699 -0.66869907
0.00033617 0.00023529 -0.00025491
-0.00934924 -0.03149874 0.01403188
13.15638536 7.97776859 10.17179448
0.00043738 -0.00000725 0.00015878
0.02196913 -0.00686436 -0.02619768
1.60553166 -14.03702788 17.59887308
0.00012692 -0.00018417 -0.00019223
0.02374097 0.01334211 0.00248437
-3.88433249 -0.71790817 -14.21701596
0.00041361 -0.00000236 0.00023922
-0.01707856 -0.01143393 0.02478533
15.03718204 -7.56414023 -8.87412332
-0.00018075 0.00020071 0.00013126
0.01789964 0.00186626 -0.00472032
8.39044629 -7.03789353 8.89133655
-0.00011007 -0.00009812 0.00015522
0.01576368 0.02195883 -0.02018947
-21.12698224 2.29601509 22.77553825
0.00015127 0.00008234 0.00003608
-0.01218681 0.00176975 0.02781828
25.68525315 -3.22711578 -8.13148838
0.00003768 0.00018946 -0.00018443
0.01206728 -0.00334111 0.01142982
9.88352266 -13.95079197 -8.27693723
0.00004596 0.00006106 -0.00034520
-0.00163779 -0.02159166 0.01018637
-6.73660511 -12.44173398 16.97252238
-0.00000112 0.00011880 0.00005387
0.02288448 0.02003108 0.01821406
7.85239274 3.14979542 -29.33652103
-0.00036334 -0.00033980 0.00009752
0.02299645 -0.01670615 0.00809524
10.96894845 15.48549093 15.36387911
0.00024102 0.00036107 0.00004652
-0.00995863 0.01762976 0.04679594
28.70507913 6.21409038 -3.39865694
0.00013221 0.00014688 -0.00028198
0.01085420 -0.00420631 0.00971718
5.34138066 -31.56129226 -3.44128270
-0.00028121 -0.00076542 -0.00012120
0.01268230 -0.00490633 -0.00250044
4.57484192 -31.25503774 -0.48679267
0.00066583 0.00025849 -0.00000275
0.00553649 -0.01038400 0.00831430
-11.93694468 -3.41743414 -8.92280401
-0.00066117 0.00014557 -0.00071313
0.00804415 0.01874084 -0.00342281
-12.50107146 -1.18172947 -10.78910318
0.00027201 0.00055110 -0.00012224
0.01424577 -0.00214367 0.01848790
-39.00333196 1.99579659 1.12146392
0.00046213 0.00035207 0.00035350
-0.01118619 0.00164712 0.00658018
-37.95490254 3.89642143 -0.96648300
0.00012460 -0.00038344 0.00026830
0.00822000 -0.02595267 0.02344887
-10.59603662 -5.68777473 3.39247393
-0.00040340 -0.00014243 -0.00043191
-0.01834730 0.03301947 0.00915515
-10.74227053 -2.59431044 3.74346430
-0.00014528 0.00000613 0.00049814
-0.00416420 -0.02433698 0.00503684
4.56363486 -2.28834326 8.33651679
-0.00068601 0.00043881 -0.00018490
-0.00506936 -0.03520440 0.01403515
4.10693131 -3.69276304 10.89981016
-0.00122759 -0.00051876 -0.00006993
0.00352536 -0.00539655 -0.00919176
-33.78765137 -1.45800802 -0.19452395
-0.00100336 0.00065382 0.00096060
-0.00585600 -0.00458142 -0.00364949
-32.86876273 1.01545900 0.91661928
-0.00082741 0.00131382 0.00030222
0.00664454 -0.01125185 -0.01766860
13.97107049 12.68983834 -15.36074692
-0.00122797 0.00036306 0.00072394
-0.01159521 0.00875325 -0.07350380
16.28559476 12.34301183 -13.53749663
-0.00076643 0.00072726 -0.00051325
-0.04126288 0.00138735 -0.01304567
-8.58946324 7.34759610 1.66467099
0.00070035 0.00015593 0.00042332
0.00104725 0.00340013 0.00397661
-7.38955137 4.85226841 1.18652700
-0.00002608 0.00095641 0.00069037
-0.00401969 0.01591411 0.03384782
6.06893782 12.36834041 -7.22132022
-0.00006588 0.00022178 -0.00102691
0.01672615 0.00147785 0.00910603
8.87507622 13.56786560 -6.67581101
-0.00034604 -0.00070710 0.00026581
-0.01476787 -0.01144688 0.00806875
8.46318207 8.65941057 -20.31580350
0.00001904 -0.00045448 0.00064689
0.00885447 0.01515272 0.01418325
10.15729621 11.10531240 -19.64620634
0.00073507 -0.00057247 0.00069068
-0.01083635 -0.01959742 0.00921913
24.01195412 15.76773480 -2.71006876
0.00073242 0.00021534 -0.00037507
0.00206022 -0.02662613 -0.00489218
24.69776471 18.40187665 -2.49529093
-0.00090559 0.00079931 -0.00099294
-0.01109430 0.00499008 -0.00157292
1.84719815 16.89049096 -21.38871995
0.00018280 0.00028863 0.00078726
-0.01916462 0.00432003 -0.03232840
3.56033160 15.60247968 -19.57430288
-0.00015475 0.00074824 -0.00035224
-0.01937285 0.00746876 0.01354984
12.51859662 -1.15091280 -6.84571346
0.00057328 -0.00143398 -0.00106124
0.00234981 0.00087213 -0.00125345
13.41013409 -0.89508458 -3.99250174
0.00022052 0.00021560 -0.00016652
-0.00310149 -0.00666947 -0.02039326
-17.61933918 -2.14083086 2.50932164
-0.00065520 0.00017799 0.00003915
0.02378633 0.00962441 0.02122942
-14.73621561 -2.66183342 2.98053630
-0.00090301 -0.00054110 -0.00126629
-0.00585774 0.00552470 0.00861448
-16.72591895 -0.72597487 20.09224931
-0.00031455 0.00022830 -0.00031293
0.00857654 0.00242866 -0.00868447
-15.23760892 -3.24126247 19.77752276
0.00075970 -0.00015736 0.00055500
-0.01565998 0.01847633 -0.01695645
-0.46250433 0.44654703 -4.88029626
-0.00030423 -0.00013409 -0.00001684
-0.00632839 -0.00392028 -0.00521732
-0.85706936 3.32782737 -4.94887338
-0.00048945 -0.00117353 0.00001434
-0.00501311 0.00453498 -0.00330789
23.42988618 -8.84147896 -9.13833917
-0.00046600 0.00024308 -0.00012744
0.00109083 0.02860757 0.00162777
24.03311022 -5.80921287 -8.58319664
-0.00053725 0.00028699 0.00058639
-0.00439017 -0.01118732 0.00059442
0.19415364 -6.25908470 5.70970166
-0.00038565 -0.00029208 0.00014984
-0.00465189 0.00306531 -0.01358378
0.68219060 -6.30363310 8.42815641
0.00051399 -0.00083371 -0.00094951
-0.01098124 0.00915506 0.00161910
-0.58018774 -2.70407558 -19.40086655
0.00012902 0.00067284 -0.00089393
0.03109464 -0.02418361 0.00796872
-2.99932747 -2.00732351 -20.58262104
0.00028307 -0.00024797 0.00055956
0.00569263 0.01232519 0.01372820
2.66579271 2.94054116 -10.67462307
0.00036571 0.00118096 0.00041375
0.00557223 -0.01051553 0.00666205
2.12529532 2.09660652 -7.87897673
-0.00022258 -0.00166306 0.00004433
-0.01879855 0.00669852 0.02096116
-2.15921448 16.71789096 12.33079103
0.00108362 -0.00078140 -0.00035853
-0.02224997 0.00904117 0.00116150
-3.64449854 18.66116565 13.92256531
-0.00065783 -0.00098969 0.00007463
0.00392616 0.00045925 -0.01226361
-5.25373327 6.06073088 -11.16504358
-0.00110304 -0.00071339 0.00044573
-0.03835379 0.03479708 -0.00532665
-4.15993480 3.80362114 -12.30087840
-0.00124432 -0.00013830 -0.00019577
0.00010209 -0.04170550 -0.03780651
-7.60425138 1.88525193 -7.36308750
-0.00018196 -0.00072421 -0.00040553
-0.00997887 0.00223468 -0.01819222
-6.33279519 3.29470484 -9.42540745
-0.00053329 -0.00020258 -0.00024843
0.05195712 0.01558655 -0.01534371
2.94488643 28.11026228 7.05470054
0.00016008 -0.00068856 0.00050190
-0.00890520 -0.01529007 0.02447397
1.04300293 28.57811256 9.15638904
0.00054337 0.00083704 -0.00038959
-0.01533455 0.00745535 0.00632106
10.60313123 -7.38626227 -0.81975900
0.00001294 -0.00005426 0.00030759
0.01438997 -0.01726430 0.01845876
8.49707449 -7.20815176 -2.80765881
-0.00028494 -0.00061066 0.00050481
-0.00651630 -0.01099819 -0.00274190
-7.10168709 0.34536280 6.73132196
-0.00054611 -0.00059826 0.00058666
0.02335295 -0.00082328 -0.00134703
-9.76572189 -0.18174206 7.23674877
-0.00095293 0.00074502 0.00083077
0.00401132 0.01718603 -0.02159121
21.58659712 10.52418486 10.18847661
-0.00070386 0.00103830 0.00074190
-0.01139665 0.00476038 -0.01091810
20.70394365 12.55629223 8.35717297
-0.00090353 0.00058821 0.00000225
0.00644509 0.03191015 -0.01186289
-1.07004714 -3.47946717 -26.40829356
0.00067425 0.00048798 0.00034844
-0.02603055 0.02731860 -0.01950267
-3.80330563 -2.05151025 -26.71560698
0.00137313 0.00007726 0.00028788
0.01646927 -0.00332368 -0.00013090
-13.81213324 7.27792019 9.22748308
0.00023675 0.00010662 0.00003191
0.00399842 -0.01025862 0.00062111
-15.49118496 7.27821027 7.05797946
0.00043611 0.00026313 0.00094948
0.00385370 -0.00464163 -0.00566630
-11.30843574 7.77801067 -2.66360173
0.00028511 0.00069937 0.00077748
0.00944474 -0.00560802 -0.00126888
-8.48738288 8.23137297 -3.56812185
-0.00047023 0.00024752 -0.00038927
-0.01444128 -0.00325441 0.00340507
-0.98440550 -16.90575573 22.97715830
-0.00059193 0.00056835 -0.00056039
0.00036127 -0.01719041 -0.00491010
-3.45842453 -15.56247975 23.71174480
-0.00028013 -0.00046718 -0.00056419
-0.08169529 -0.01559143 0.01756187
-2.38890679 6.36778450 -7.97591953
-0.00107352 0.00036005 0.00034237
-0.00412907 -0.00500192 -0.00970230
-4.46083677 6.86333729 -5.95100080
0.00059973 -0.00101944 0.00005283
0.01421715 0.00122217 -0.00031123
-21.39806200 29.77116179 3.07949391
-0.00105586 -0.00076493 -0.00050807
-0.01105251 0.00554834 -0.00027992
-21.07766556 31.04166513 5.70769386
-0.00061087 -0.00023311 0.00078643
-0.01512549 0.00498841 0.00395630
6.94033232 -0.03414194 6.03749922
-0.00065907 0.00112664 -0.00041650
-0.00751661 -0.01122739 -0.02399574
7.48340723 2.10856227 7.81728587
-0.00083160 -0.00000412 -0.00091759
-0.00127783 0.00323867 0.00635110
7.11486173 12.77030728 -13.70683508
-0.00000824 0.00013823 0.00167843
0.00664932 0.00595862 0.00285184
4.52486051 11.79997415 -14.96889199
-0.00000515 0.00009229 -0.00060836
0.03662329 -0.00593727 0.04067923
14.32685407 3.74536913 -2.78355856
-0.00033965 0.00036315 0.00086772
0.00259228 0.00120390 0.00482400
14.86356489 1.00445536 -1.92893767
-0.00020430 -0.00000046 0.00042284
0.01427437 0.03438012 0.01011881
-2.66380854 12.88245607 -0.42884135
-0.00034092 -0.00093246 0.00037140
-0.01222706 -0.00147727 0.00791849
-5.59645476 13.02505359 0.64399368
-0.00017323 0.00008196 0.00028515
0.01605345 -0.00415160 -0.00582668
3.43229313 11.13303644 3.26407944
-0.00146116 0.00010057 -0.00071884
0.00727405 0.00314598 -0.00694041
6.31195281 11.58378383 2.94733727
-0.00018134 -0.00100452 0.00018404
0.02209015 -0.01191153 0.00638087
25.28860175 -12.45041596 -8.36595018
0.00016455 0.00000215 -0.00002197
-0.00555962 -0.01326155 0.01429503
26.66810239 -11.70893172 -10.88299900
0.00100521 -0.00006382 -0.00049070
-0.01228370 0.01026497 -0.00757807
14.97882326 -3.48155550 0.04389393
0.00043562 0.00110490 0.00142828
0.01681643 0.00419842 -0.00709590
17.02058315 -5.52887609 -0.55141118
-0.00024338 -0.00009124 -0.00000669
-0.00086689 0.03091130 -0.00799721
12.30228722 7.88407930 11.75176951
-0.00097036 -0.00059908 0.00034681
-0.01204480 0.00508544 0.01729648
13.47566938 9.76510086 9.75524243
-0.00011340 -0.00005875 -0.00050947
-0.00466537 -0.00917594 0.00026431
-0.06609677 -14.72945641 17.29871516
0.00034399 0.00037358 0.00055244
-0.00949497 0.00701890 0.00214577
1.50977116 -12.40749250 18.45417987
-0.00012163 0.00001201 0.00071052
-0.00318292 -0.01256489 -0.00364345
-3.98754393 -2.24971914 -13.10273628
-0.00024025 0.00101666 0.00062350
0.00590837 0.02216382 -0.01663417
-3.31264330 -1.23734692 -15.85467844
0.00071293 -0.00115537 -0.00064423
0.00993915 -0.00689587 -0.00817260
14.73499277 -8.24196689 -10.55240014
0.00025861 -0.00041874 -0.00069953
-0.00674207 0.00512779 0.00323168
16.37352263 -6.11689264 -9.18980898
0.00045772 0.00108633 0.00114417
-0.01261664 -0.02092317 0.00052814
6.76219912 -6.08808114 8.58547132
0.00047740 -0.00014652 -0.00090636
0.02385842 0.00424527 0.00291033
9.68468292 -6.58073538 7.60288528
-0.00021238 -0.00008687 0.00070449
-0.02576318 0.00249358 0.01729233
-21.81450291 2.00716901 21.13576219
0.00030577 0.00000883 0.00085669
0.00267937 -0.00127391 -0.02297617
-22.34919081 1.39533065 23.88694018
-0.00075196 0.00038641 -0.00012553
0.01459581 0.00041141 -0.00790467
26.72951317 -2.94873994 -6.64254115
0.00000194 -0.00007648 -0.00030742
-0.00109434 -0.00270925 -0.00166464
25.27621055 -1.53681285 -8.67028225
0.00007519 -0.00007650 -0.00051546
-0.00543966 0.01574518 -0.00581609
9.72268573 -15.69741256 -7.67441427
0.00095094 0.00079232 -0.00061559
-0.00014432 0.00549812 -0.00884094
9.31575632 -12.99999609 -6.83092668
0.00046847 0.00010328 -0.00014788
-0.00471147 0.01109087 -0.00145767
-5.96901856 -11.30757694 18.29921887
-0.00008153 -0.00038478 -0.00020554
-0.00886009 -0.01153597 -0.02564053
-7.05556615 -11.44522711 15.47176953
0.00050521 0.00013139 0.00002057
0.00092374 0.00737973 0.00317680
8.38789123 1.36301516 -29.38598930
-0.00054301 0.00023795 -0.00046657
-0.00227113 0.01914348 -0.00159045
6.14009038 3.13703994 -29.90548440
-0.00059507 -0.00144255 -0.00031159
-0.01721842 -0.00699636 -0.01451627
12.70948180 15.24560386 14.66331780
0.00048835 -0.00116239 -0.00068732
0.00656289 -0.00522740 -0.01150193
11.21773752 15.89769345 17.22990702
0.00008467 0.00043284 0.00062425
-0.00571201 -0.00457200 -0.03853324
29.25665263 4.85985645 -4.52851601
0.00016100 0.00046126 -0.00007516
0.00500729 0.00061539 -0.00236223
26.98981491 6.52965357 -3.89803670
-0.00020841 0.00090807 0.00033570
-0.01547516 0.00884010 -0.00013146
-9.94429778 4.87769329 6.61476609
-0.00001634 0.00013324 -0.00023568
-0.00115231 0.01301555 0.00153238
-8.75780091 13.34055023 2.59485971
-0.00010569 0.00006207 -0.00000202
-0.00525137 -0.00045223 0.00023402
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09593170
0.31824506
424.04558774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3580333775 (a.u.)
total exchange computation time: 2.6416609287 s
-154.2495430430
-931.41468959
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3579392763 (a.u.)
total exchange computation time: 2.6451530457 s
-154.2515572748
Anderson extrapolation: theta=1.3994473138 (1.3994473138)
-931.41495349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3577864577 (a.u.)
total exchange computation time: 2.6409840584 s
-154.2545855066
Anderson extrapolation: theta=0.0731811922 (0.0731811922)
-931.41512393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3577544545 (a.u.)
total exchange computation time: 2.6429371834 s
-154.2550398577
Anderson extrapolation: theta=2.2485823727 (2.0000000000)
-931.41513415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3576842877 (a.u.)
total exchange computation time: 2.6450610161 s
-154.2559362146
Anderson extrapolation: theta=0.3546439700 (0.3546439700)
-931.41514716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3576644556 (a.u.)
total exchange computation time: 2.6424620152 s
-154.2561370078
Anderson extrapolation: theta=1.0469349743 (1.0469349743)
-931.41515034
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3576583245 (a.u.)
total exchange computation time: 2.6427569389 s
-154.2561555569
Anderson extrapolation: theta=0.4558978904 (0.4558978904)
-931.41515266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3576701327 (a.u.)
total exchange computation time: 2.6428461075 s
-154.2559904059
Anderson extrapolation: theta=0.8330146416 (0.8330146416)
-931.41515342
-71.801512 67.770475 98.142361
559.324452 1031.388224 -410.221201
487.522940 1099.158698 -312.078839
1242.264732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3576900164 (a.u.)
total exchange computation time: 2.7572870255 s
678.66906847
-1083.13944456
89.87556618
-389.62765621
-174.83499765
77.97622670
551.60419304
0.00000000
-931.41515378
4.05470515 -31.12724495 -2.22809759
0.00012359 -0.00052677 0.00007684
-0.02448461 0.00939593 -0.00792202
-11.47607786 -1.61310915 -9.27762797
0.00001877 0.00039652 -0.00008810
-0.03538960 -0.02650889 -0.01969755
-37.51134511 2.41452347 0.21521703
-0.00011471 -0.00003103 0.00010120
0.00909976 0.03260911 -0.03654008
-11.72285525 -4.18147086 3.94138656
0.00002382 -0.00007729 0.00014688
0.02352408 -0.00610060 -0.01090915
4.16085012 -4.01469687 9.06119264
-0.00021114 -0.00011419 -0.00036613
0.00725531 0.03405036 -0.00990658
-32.36189386 -0.35163266 -0.24584855
-0.00051472 0.00006172 0.00029367
-0.00976578 0.01230143 0.02316859
14.36593884 12.51930719 -13.69582255
-0.00008438 -0.00015446 0.00029618
0.05987774 -0.00848784 0.08025230
-7.72782793 6.07320684 2.66594881
-0.00004683 -0.00003109 -0.00002799
0.00535805 -0.02290827 -0.03352215
7.43785125 12.38167050 -5.96829205
-0.00025860 -0.00031509 -0.00021388
-0.00392927 0.01083118 -0.01812082
8.81766496 9.92837950 -18.99123360
-0.00000660 0.00005167 -0.00023100
0.01069609 -0.00616141 -0.02289982
23.19290612 17.32273318 -2.24003550
-0.00021899 0.00002953 -0.00012281
0.01536805 0.02148819 -0.00786307
2.10972238 16.82384684 -19.63210810
-0.00005939 -0.00008374 -0.00015458
0.03262354 -0.00955765 0.03960677
13.99643117 -1.04962699 -5.74627435
-0.00012761 0.00029057 -0.00012523
0.00534822 0.00031422 0.02479120
-16.04774520 -1.36035700 3.24830055
0.00009226 0.00010740 0.00009492
-0.02786058 -0.03198033 -0.02386675
-16.39607424 -2.07361895 18.84788443
0.00052274 -0.00033349 -0.00024616
0.01136952 -0.01781227 0.03178073
0.45389115 2.06532657 -4.82955594
0.00018787 0.00024446 0.00025080
0.00745123 -0.00207763 0.00431194
22.72521629 -7.10773780 -8.82290651
0.00027437 -0.00000654 0.00004552
-0.00763867 -0.01420678 -0.00484231
-0.75885943 -6.31185195 7.26302039
-0.00008953 0.00001869 0.00009512
0.01516661 -0.01052243 0.01220542
-1.72977772 -1.36469543 -19.32794756
-0.00003660 -0.00003305 -0.00002583
-0.04566009 0.01152930 -0.01699110
3.19779937 1.79847751 -9.29480827
-0.00007498 -0.00030957 0.00008186
0.01083336 0.00846400 -0.02736166
-3.80479558 17.73537360 12.30553767
0.00018805 0.00001461 0.00006451
0.03473874 -0.00444671 0.00962110
-3.83373511 5.03542973 -11.11723288
0.00018398 0.00018509 -0.00006371
0.03729620 0.01185274 0.02371536
-7.92626278 2.82220338 -8.95345934
0.00017018 -0.00023857 0.00015966
-0.05147916 -0.01892327 0.03391195
2.39067283 27.47030040 8.74533467
0.00022554 0.00007402 0.00022258
0.01437283 0.00229865 -0.02464646
9.63849345 -6.24447035 -1.79311161
-0.00031837 0.00004861 0.00006383
-0.00926550 0.02544328 -0.01163148
-8.71478004 0.81924479 6.02647756
0.00014589 0.00001041 0.00007669
-0.02968310 -0.02643590 0.02828282
20.39391711 10.85310399 8.79335969
0.00017829 0.00003195 -0.00014601
0.00662859 -0.03151746 0.01848068
-2.08733588 -2.14088566 -27.44736170
0.00019068 -0.00007617 -0.00032468
0.00690350 -0.03008975 0.02114231
-14.29158070 6.14463123 7.85805682
0.00010419 -0.00004574 0.00028075
0.00292209 0.01208502 0.00596754
-9.56758107 7.27535356 -2.34182529
-0.00013230 -0.00016332 0.00051060
-0.00852799 0.00205734 0.00213026
-1.80327444 -15.34465075 23.40227264
0.00019667 0.00043572 -0.00038465
0.07292518 0.03039414 -0.01182626
-2.69967715 6.32893374 -6.18967842
-0.00010777 0.00001869 0.00020000
-0.00645856 -0.00347830 0.01201257
-20.20612279 30.63982763 4.17484206
-0.00016301 -0.00071842 -0.00011225
0.01100258 -0.00222492 0.00746818
7.67122815 0.30304458 7.64696134
0.00021281 0.00027125 -0.00015561
0.00896589 0.01172623 0.02164479
5.75184402 11.51265048 -13.48757758
0.00007330 -0.00024199 0.00024115
-0.04792821 -0.02515171 -0.05061617
15.53874448 2.76217542 -1.80214906
0.00006769 -0.00005476 0.00020662
-0.00759859 -0.01708326 -0.00518331
-4.41521039 13.27901437 -0.79626668
-0.00010016 -0.00033144 0.00007541
-0.00235214 0.00065478 -0.00737772
4.72134193 12.44241080 2.83590224
0.00024839 0.00028030 -0.00055677
-0.03734773 0.01154206 -0.00031745
25.06990493 -11.54471549 -9.91017780
-0.00003061 0.00018256 -0.00010147
0.00686759 -0.00486807 0.00295255
16.69560822 -3.62913920 -0.67246852
0.00033051 0.00021901 -0.00024714
-0.01268895 -0.03180485 0.01616592
13.16303075 7.97763335 10.17407513
0.00044784 -0.00001118 0.00014677
0.01872483 -0.00840070 -0.02050600
1.60752708 -14.03973891 17.59599925
0.00013974 -0.00017591 -0.00019021
0.02610133 0.01878098 0.00537452
-3.87819416 -0.71798772 -14.21333204
0.00040556 -0.00000810 0.00024923
-0.01424538 -0.01087548 0.01413633
15.03453988 -7.56112242 -8.87217257
-0.00017139 0.00020140 0.00012751
0.01850080 0.00083094 -0.00986415
8.38885605 -7.03928067 8.89358698
-0.00010214 -0.00008705 0.00014536
0.01507908 0.02111597 -0.01815663
-21.12476015 2.29725706 22.77618671
0.00014508 0.00008317 0.00005214
-0.01191439 0.00143575 0.03465948
25.68586487 -3.22428673 -8.13421075
0.00004364 0.00018735 -0.00017876
0.01111711 -0.00486934 0.01063102
9.88420571 -13.94995934 -8.28207594
0.00004525 0.00005144 -0.00034040
-0.00109928 -0.01583896 0.00849619
-6.73653364 -12.43987472 16.97340066
0.00001022 0.00012853 0.00006279
0.02120364 0.01781841 0.01647729
7.84703137 3.14463403 -29.33502706
-0.00035271 -0.00034757 0.00010130
0.01831503 -0.01350568 0.00659969
10.97252530 15.49097499 15.36475738
0.00023636 0.00036995 0.00007079
-0.00814607 0.01691837 0.04760973
28.70710422 6.21627731 -3.40284921
0.00013716 0.00014540 -0.00027659
0.00837336 -0.00152781 0.01125788
5.33755116 -31.57292392 -3.44317727
-0.00022859 -0.00078543 -0.00013214
0.01307596 -0.00488795 -0.00285874
4.58499897 -31.25147853 -0.48657907
0.00068830 0.00021589 0.00003122
0.00546596 -0.01047304 0.00830981
-11.94661578 -3.41467631 -8.93360583
-0.00062667 0.00022462 -0.00072632
0.00884445 0.01995660 -0.00303198
-12.49655481 -1.17352868 -10.79037033
0.00032960 0.00054350 -0.00004789
0.01394534 -0.00157338 0.01791125
-38.99674273 2.00112813 1.12696804
0.00041037 0.00035705 0.00038398
-0.01415165 0.00079037 0.00833830
-37.95278161 3.88987449 -0.96173997
0.00015701 -0.00048592 0.00036128
0.00764318 -0.02420798 0.02206788
-10.60264979 -5.68889938 3.38627578
-0.00047734 -0.00000731 -0.00039405
-0.01785021 0.03312353 0.00937757
-10.74457736 -2.59496419 3.75109079
-0.00016149 -0.00009252 0.00051817
-0.00377220 -0.02395554 0.00476517
4.55318930 -2.28283989 8.33417340
-0.00070697 0.00029192 -0.00012597
-0.00518778 -0.03669975 0.01480834
4.08862542 -3.70070986 10.89847958
-0.00121220 -0.00054083 -0.00011096
0.00400795 -0.00540347 -0.01089138
-33.80288122 -1.44834107 -0.18022672
-0.00102633 0.00063532 0.00094520
-0.00538919 -0.00447603 -0.00388933
-32.88097026 1.03482148 0.92061113
-0.00079650 0.00125821 0.00022234
0.00848404 -0.01596958 -0.02143320
13.95229561 12.69555249 -15.35214023
-0.00127609 0.00039964 0.00042476
-0.01195909 0.00914994 -0.07294499
16.27283387 12.35396329 -13.54559520
-0.00092600 0.00073133 -0.00056573
-0.03684681 0.00060395 -0.01264355
-8.57892596 7.35003920 1.67114258
0.00070103 0.00017513 0.00043610
-0.00071032 0.00599735 0.00227954
-7.39006571 4.86710227 1.19791977
-0.00004061 0.00101303 0.00082006
-0.00309580 0.01179781 0.02963613
6.06846210 12.37171235 -7.23644487
0.00000552 0.00022736 -0.00098581
0.01822499 0.00125727 0.01101377
8.86943306 13.55690838 -6.67157662
-0.00040372 -0.00075077 0.00029790
-0.01346542 -0.00993342 0.00764057
8.46373905 8.65305777 -20.30566558
0.00005533 -0.00039456 0.00070111
0.00891003 0.01417638 0.01235938
10.16799013 11.09612478 -19.63556358
0.00069161 -0.00065106 0.00072602
-0.01043501 -0.01887179 0.00807939
24.02300352 15.77014905 -2.71584477
0.00073842 0.00011100 -0.00039303
0.00088016 -0.02445318 -0.00390022
24.68384092 18.41401922 -2.51023326
-0.00095054 0.00081886 -0.00099826
-0.01091182 0.00457874 -0.00102872
1.84935294 16.89495279 -21.37790166
0.00010192 0.00030707 0.00063891
-0.02042724 0.00470465 -0.04028893
3.55741676 15.61393213 -19.57917124
-0.00022795 0.00077359 -0.00029611
-0.01646100 0.00494190 0.01392630
12.52726782 -1.17239578 -6.86167045
0.00058274 -0.00142954 -0.00106340
0.00228251 0.00130294 0.00019582
13.41334689 -0.89205496 -3.99562446
0.00020545 0.00018822 -0.00024875
-0.00427740 -0.00673126 -0.01985669
-17.62843824 -2.13786612 2.51055944
-0.00055340 0.00022085 0.00012827
0.02604186 0.01135904 0.02239435
-14.74994030 -2.66978059 2.96180589
-0.00092468 -0.00051778 -0.00122942
-0.00475059 0.00589066 0.00943663
-16.73037445 -0.72247599 20.08728921
-0.00027771 0.00023269 -0.00035279
0.00945815 -0.00027595 -0.01082624
-15.22669327 -3.24305669 19.78532822
0.00069287 -0.00007934 0.00048319
-0.01705316 0.01971298 -0.01819690
-0.46726172 0.44441547 -4.88070877
-0.00032475 -0.00014529 -0.00003775
-0.00371710 -0.00156159 -0.00501670
-0.86456465 3.31036345 -4.94875959
-0.00051376 -0.00114765 0.00000023
-0.00688843 0.00813300 -0.00359873
23.42292956 -8.83695615 -9.14020087
-0.00045761 0.00035478 -0.00012137
0.00301588 0.02607270 0.00134514
24.02491696 -5.80525078 -8.57438263
-0.00055086 0.00024338 0.00058892
-0.00227109 -0.01015954 0.00064379
0.18822629 -6.26337197 5.71153302
-0.00040427 -0.00027933 0.00009060
-0.00445873 0.00317621 -0.01541323
0.68956400 -6.31585816 8.41396331
0.00047090 -0.00079584 -0.00093935
-0.01011199 0.00937916 0.00335682
-0.57729958 -2.69472407 -19.41403129
0.00026102 0.00056993 -0.00086132
0.03352150 -0.02619239 0.00799525
-2.99490692 -2.01066535 -20.57380701
0.00030099 -0.00019903 0.00061087
0.00307716 0.01163124 0.01139132
2.67144910 2.95793338 -10.66821270
0.00038950 0.00113334 0.00044609
0.00607439 -0.01279540 0.00917018
2.12138064 2.07186593 -7.87766951
-0.00030076 -0.00163403 0.00013113
-0.01947366 0.00751239 0.02152857
-2.14364194 16.70644696 12.32544868
0.00098433 -0.00073858 -0.00035201
-0.02635328 0.01192351 0.00202933
-3.65424566 18.64633433 13.92330891
-0.00063920 -0.00098358 0.00003056
0.00519260 0.00253497 -0.00930581
-5.27145411 6.05109627 -11.15852089
-0.00125051 -0.00057668 0.00042582
-0.03383435 0.03212450 -0.00441889
-4.17859651 3.80026867 -12.30497345
-0.00124027 -0.00029972 -0.00034034
0.00188155 -0.03731348 -0.03296346
-7.60728650 1.87445723 -7.36972797
-0.00022116 -0.00071686 -0.00047600
-0.00921175 0.00136428 -0.01630045
-6.33920241 3.29214380 -9.42960407
-0.00031250 -0.00013699 -0.00031284
0.05611924 0.01651989 -0.01618503
2.94701473 28.09946528 7.06297896
0.00012658 -0.00074876 0.00059519
-0.00749471 -0.01417661 0.02119357
1.05068359 28.59089656 9.15073886
0.00048220 0.00086593 -0.00036329
-0.01461058 0.00668909 0.00655464
10.60376624 -7.38760521 -0.81457956
0.00006800 -0.00011946 0.00037909
0.01256500 -0.01465078 0.01654302
8.49260078 -7.21764864 -2.80017061
-0.00031061 -0.00065410 0.00049410
-0.00605211 -0.01026592 -0.00250485
-7.10916319 0.33636366 6.74008053
-0.00044728 -0.00060242 0.00058216
0.02502852 -0.00121140 -0.00085556
-9.77989289 -0.17004007 7.24854872
-0.00093164 0.00081897 0.00073688
0.00641041 0.01901285 -0.02437071
21.57569003 10.53990519 10.19927057
-0.00074909 0.00105694 0.00069761
-0.01074334 0.00436408 -0.01076305
20.69058818 12.56609320 8.35684325
-0.00087823 0.00071228 -0.00004459
0.00593795 0.02882182 -0.01106813
-1.06073109 -3.47131034 -26.40366463
0.00056751 0.00059898 0.00026741
-0.02621708 0.02701535 -0.02016095
-3.78220404 -2.05045323 -26.71129285
0.00142846 0.00006475 0.00029135
0.01061582 -0.00279987 0.00183219
-13.80845950 7.27920518 9.22798072
0.00025427 0.00006439 0.00003609
0.00457963 -0.01041274 0.00142841
-15.48452520 7.28201498 7.07204807
0.00044759 0.00024671 0.00092279
0.00176558 -0.00339578 -0.00739916
-11.30386973 7.78832941 -2.65197845
0.00031939 0.00067632 0.00077261
0.00733576 -0.00567476 -0.00111394
-8.49487892 8.23498607 -3.57385662
-0.00053057 0.00023062 -0.00037073
-0.01509594 -0.00501857 0.00567115
-0.99327331 -16.89775721 22.96860202
-0.00058599 0.00049317 -0.00058256
0.00254539 -0.01961428 -0.00594348
-3.46512982 -15.56996522 23.70382010
-0.00059756 -0.00052792 -0.00049521
-0.07369298 -0.01414027 0.01620612
-2.40513613 6.37303191 -7.97108122
-0.00108763 0.00033919 0.00029818
-0.00277519 -0.00520529 -0.01193270
-4.45140514 6.84808314 -5.95021785
0.00064436 -0.00101087 0.00005488
0.00763011 0.00297432 0.00131286
-21.41423860 29.75985780 3.07186427
-0.00109419 -0.00073663 -0.00050213
-0.00770868 0.00830419 0.00318772
-21.08729211 31.03832127 5.71961154
-0.00066418 -0.00021665 0.00078727
-0.01097161 0.00307098 -0.00354556
6.93021596 -0.01758631 6.03051636
-0.00068589 0.00107863 -0.00050787
-0.00561177 -0.01227499 -0.02072732
7.47089405 2.10859971 7.80371667
-0.00083559 0.00001352 -0.00088827
-0.00067455 0.00539660 0.00799826
7.11494192 12.77256333 -13.68157127
0.00001858 0.00016250 0.00168854
0.00648014 0.00592376 0.00209762
4.52590550 11.80117652 -14.97677084
0.00014880 0.00006724 -0.00043690
0.03873744 -0.00632207 0.04324899
14.32183869 3.75085330 -2.77039487
-0.00032786 0.00036660 0.00088808
0.00318047 0.00048182 0.00514161
14.86093785 1.00550192 -1.92228500
-0.00014621 0.00013968 0.00046374
0.01416029 0.03422161 0.00990035
-2.66929698 12.86842383 -0.42302767
-0.00038977 -0.00093827 0.00040345
-0.01168505 -0.00136330 0.00777034
-5.59856124 13.02615583 0.64809242
-0.00010712 0.00006504 0.00025974
0.01630818 -0.00413168 -0.00661249
3.41059870 11.13464136 3.25308419
-0.00142083 0.00012259 -0.00074989
0.01246784 0.00763284 -0.00825758
6.30990963 11.56835105 2.95029339
-0.00009495 -0.00105079 0.00020954
0.02019720 -0.01073978 0.00610009
25.29089966 -12.45079010 -8.36584169
0.00014107 -0.00005013 0.00003340
-0.00593649 -0.01232949 0.01281071
26.68280415 -11.70957446 -10.89059176
0.00094382 -0.00002026 -0.00051631
-0.01776948 0.01105842 -0.00495434
14.98587289 -3.46485340 0.06510066
0.00051132 0.00112074 0.00139523
0.02023669 0.00355674 -0.00908001
17.01690592 -5.52929748 -0.55175655
-0.00024704 0.00003694 -0.00003963
-0.00092356 0.03183230 -0.00812809
12.28736271 7.87524896 11.75750173
-0.00101216 -0.00057544 0.00040421
-0.00841542 0.00648601 0.01080118
13.47382545 9.76393845 9.74760848
-0.00013255 -0.00009607 -0.00050652
-0.00470784 -0.00909555 0.00117746
-0.06122794 -14.72363759 17.30706745
0.00029919 0.00039806 0.00055942
-0.01243119 0.00496450 0.00127181
1.50784915 -12.40769731 18.46472597
-0.00013302 -0.00004634 0.00069151
-0.00239107 -0.01599927 -0.00566065
-3.99096659 -2.23379009 -13.09389350
-0.00021587 0.00110044 0.00055910
0.00602380 0.01884622 -0.01488942
-3.30164475 -1.25488878 -15.86459238
0.00074693 -0.00117780 -0.00065945
0.00670512 -0.00408437 0.00072604
14.73866532 -8.24809090 -10.56279413
0.00023392 -0.00039158 -0.00067424
-0.00534607 0.00816721 0.00914976
16.38000182 -6.10123885 -9.17263019
0.00040279 0.00099593 0.00114331
-0.01427364 -0.02332572 -0.00095260
6.77009120 -6.09014883 8.57196508
0.00057079 -0.00012767 -0.00089342
0.02185679 0.00498306 0.00342490
9.68070779 -6.58196195 7.61398253
-0.00031226 -0.00007613 0.00077052
-0.02312727 0.00276247 0.01503006
-21.80983424 2.00726240 21.14790848
0.00031251 0.00000210 0.00075023
0.00062085 -0.00201860 -0.02913577
-22.36002295 1.40113942 23.88481496
-0.00068882 0.00039000 -0.00015889
0.01631394 0.00134521 -0.00842356
26.72950872 -2.94997017 -6.64720347
-0.00000088 -0.00008665 -0.00031240
-0.00028618 -0.00226677 -0.00077098
25.27717169 -1.53747789 -8.67819244
0.00005313 -0.00001045 -0.00053928
-0.00536024 0.01658983 -0.00584112
9.73694535 -15.68535928 -7.68391905
0.00094853 0.00080297 -0.00064722
-0.00103333 -0.00028542 -0.00664245
9.32263904 -12.99810705 -6.83318951
0.00044932 0.00014802 -0.00015460
-0.00466194 0.01081160 -0.00183378
-5.97051295 -11.31370217 18.29535011
-0.00011521 -0.00042794 -0.00030558
-0.00762663 -0.00959058 -0.02333279
-7.04795972 -11.44303019 15.47217540
0.00050866 0.00016186 0.00003282
0.00076374 0.00753731 0.00281929
8.37967644 1.36717098 -29.39303665
-0.00054781 0.00030777 -0.00047216
-0.00007687 0.01503755 -0.00114249
6.13063664 3.11518733 -29.91060304
-0.00065998 -0.00146903 -0.00036837
-0.01455433 -0.00596460 -0.01327963
12.71700810 15.22800785 14.65265550
0.00050977 -0.00118119 -0.00073021
0.00392488 -0.00397770 -0.00948989
11.21883253 15.90404594 17.23809003
0.00006189 0.00041289 0.00046122
-0.00544104 -0.00519420 -0.04127120
29.25922100 4.86679417 -4.52971580
0.00018102 0.00046052 -0.00008820
0.00479316 -0.00097820 -0.00402109
26.98621458 6.54354551 -3.89300528
-0.00026600 0.00094175 0.00033546
-0.01271416 0.00764815 0.00001751
-9.94454598 4.87972682 6.61123506
-0.00001674 0.00013788 -0.00023510
-0.00110382 0.01289689 0.00166477
-8.75939545 13.34148052 2.59482978
-0.00010691 0.00006194 -0.00000194
-0.00520429 -0.00065528 0.00043481
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09589243
0.31926135
425.39973659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3554832560 (a.u.)
total exchange computation time: 2.7557599545 s
-154.2336601586
-931.41690588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3553805197 (a.u.)
total exchange computation time: 2.7586698532 s
-154.2355223831
Anderson extrapolation: theta=1.3340660254 (1.3340660254)
-931.41714591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3551845676 (a.u.)
total exchange computation time: 2.7573900223 s
-154.2384298875
Anderson extrapolation: theta=0.0489256350 (0.0489256350)
-931.41728693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3551228210 (a.u.)
total exchange computation time: 2.7580089569 s
-154.2389911870
Anderson extrapolation: theta=1.8762233972 (1.8762233972)
-931.41729193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3549845109 (a.u.)
total exchange computation time: 2.7577009201 s
-154.2401682206
Anderson extrapolation: theta=0.2255803016 (0.2255803016)
-931.41729711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3549444807 (a.u.)
total exchange computation time: 2.7580790520 s
-154.2404510712
Anderson extrapolation: theta=1.9414890020 (1.9414890020)
-931.41729812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3548803204 (a.u.)
total exchange computation time: 2.7581851482 s
-154.2408484507
Anderson extrapolation: theta=0.3039390146 (0.3039390146)
-931.41729942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3548760122 (a.u.)
total exchange computation time: 2.7582080364 s
-154.2408160447
Anderson extrapolation: theta=1.2924310141 (1.2924310141)
-931.41729974
-71.841048 67.787123 98.113147
559.283354 1031.387295 -410.195614
487.442306 1099.174417 -312.082467
1242.247909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3548827982 (a.u.)
total exchange computation time: 2.7571480274 s
678.61926087
-1083.04129027
89.88205468
-389.69466994
-174.82777250
77.92423846
551.60419304
0.00000000
-931.41729996
4.05646449 -31.13511022 -2.22697559
0.00011098 -0.00052187 0.00007285
-0.02454985 0.00966717 -0.00757119
-11.47593285 -1.60726367 -9.27902543
0.00000059 0.00038244 -0.00009808
-0.03529145 -0.02821793 -0.01911829
-37.51303067 2.41418387 0.21659408
-0.00010922 -0.00001469 0.00008251
0.01225786 0.03091783 -0.03615737
-11.72240727 -4.18265373 3.94354762
0.00003546 -0.00008055 0.00014137
0.02177489 -0.00657461 -0.01050277
4.15771097 -4.01627834 9.05566251
-0.00020751 -0.00009655 -0.00037097
0.00686913 0.03452993 -0.00891517
-32.36965236 -0.35065945 -0.24135420
-0.00052025 0.00006904 0.00030641
-0.01172059 0.01615673 0.02640923
14.36490411 12.51695751 -13.69107027
-0.00005526 -0.00015858 0.00033604
0.05336356 -0.00751392 0.07475541
-7.72850975 6.07265219 2.66539966
-0.00004396 -0.00004224 -0.00004345
0.00579940 -0.02046991 -0.02658882
7.43395708 12.37698595 -5.97157013
-0.00026122 -0.00030981 -0.00022346
-0.00624233 0.00968568 -0.01913157
8.81760727 9.92913077 -18.99478688
-0.00000133 0.00004857 -0.00024186
0.00978623 -0.00588259 -0.01935413
23.18968061 17.32325906 -2.24190804
-0.00021069 0.00003993 -0.00012717
0.01690778 0.01893711 -0.00909209
2.10895736 16.82255385 -19.63427396
-0.00004319 -0.00008801 -0.00013269
0.03037984 -0.00705441 0.04549356
13.99453770 -1.04526717 -5.74805722
-0.00012453 0.00029064 -0.00011316
0.00660523 -0.00005873 0.02214241
-16.04646875 -1.35886929 3.24963227
0.00007723 0.00009063 0.00008226
-0.03057202 -0.03325922 -0.02534478
-16.38818926 -2.07869001 18.84431455
0.00052852 -0.00034218 -0.00022916
0.01110056 -0.01596193 0.03433831
0.45673800 2.06898542 -4.82577728
0.00019148 0.00024185 0.00025298
0.00656964 -0.00806011 0.00414730
22.72930231 -7.10789073 -8.82224243
0.00026931 -0.00001327 0.00004307
-0.01203167 -0.01194958 -0.00468040
-0.76014393 -6.31161223 7.26449424
-0.00008203 0.00001323 0.00010132
0.01401936 -0.01068377 0.01190728
-1.73050281 -1.36514665 -19.32840058
-0.00005962 -0.00002671 -0.00003389
-0.04385652 0.01310449 -0.01435330
3.19671642 1.79386655 -9.29368592
-0.00006953 -0.00030473 0.00006733
0.01038145 0.01035318 -0.02913944
-3.80184085 17.73557557 12.30654248
0.00020643 0.00001112 0.00006863
0.03673161 -0.00910442 0.00638924
-3.83083161 5.03825176 -11.11809711
0.00020096 0.00019067 -0.00005332
0.02874860 0.00986449 0.01672205
-7.92390862 2.81855182 -8.95093359
0.00014315 -0.00024802 0.00017650
-0.05365886 -0.01782664 0.03156311
2.39411132 27.47141954 8.74857833
0.00023219 0.00007515 0.00021100
0.01149873 0.00209232 -0.02039208
9.63368213 -6.24364311 -1.79219909
-0.00032272 0.00006064 0.00005838
-0.00764994 0.02133863 -0.00955863
-8.71270619 0.81929903 6.02773694
0.00012989 -0.00000341 0.00009172
-0.03252284 -0.02731398 0.03017509
20.39661706 10.85346166 8.79124084
0.00018170 0.00001691 -0.00013696
0.00661516 -0.02695479 0.01672719
-2.08444906 -2.14214429 -27.45215028
0.00019577 -0.00009158 -0.00031426
0.01289526 -0.02981407 0.01937234
-14.29000665 6.14399169 7.86229104
0.00010603 -0.00003984 0.00028398
0.00426883 0.01088587 0.00660418
-9.56959844 7.27291167 -2.33415805
-0.00013583 -0.00016179 0.00051107
-0.00518876 0.00388088 -0.00032765
-1.80004312 -15.33799770 23.39645730
0.00023064 0.00045132 -0.00039002
0.05916267 0.03028301 -0.00904500
-2.70131862 6.32920071 -6.18663215
-0.00010958 0.00001644 0.00020620
-0.00058111 -0.00526695 0.01209907
-20.20852547 30.62904273 4.17318716
-0.00015914 -0.00071954 -0.00010743
0.00403020 -0.00214419 0.01124740
7.67445493 0.30715852 7.64471070
0.00021677 0.00027695 -0.00014588
0.00642177 0.01046447 0.01618510
5.75275865 11.50892361 -13.48415558
0.00004863 -0.00025483 0.00021484
-0.04802437 -0.02477496 -0.05168696
15.53973046 2.76128812 -1.79906969
0.00006374 -0.00006314 0.00020390
-0.00772891 -0.01550412 -0.00540390
-4.41672189 13.27404537 -0.79516403
-0.00010157 -0.00033109 0.00007180
-0.00312613 0.00066965 -0.00665988
4.72492372 12.44665978 2.82754943
0.00022861 0.00028465 -0.00055646
-0.03955704 0.00538141 0.00153956
25.06947226 -11.54199594 -9.91168850
-0.00002582 0.00017963 -0.00010006
0.01175356 -0.00651100 0.00252894
16.70051689 -3.62597678 -0.67611326
0.00032322 0.00020276 -0.00023834
-0.01564650 -0.03135976 0.01805238
13.16982060 7.97743329 10.17619758
0.00045656 -0.00001595 0.00013776
0.01516781 -0.01015160 -0.01453776
1.60972386 -14.04230505 17.59316687
0.00015367 -0.00016502 -0.00018678
0.02807658 0.02354737 0.00794884
-3.87216573 -0.71815117 -14.20953907
0.00039899 -0.00001341 0.00025367
-0.01129865 -0.00976494 0.00312758
15.03204045 -7.55809820 -8.87029791
-0.00016176 0.00020153 0.00012127
0.01892074 -0.00031549 -0.01442747
8.38738215 -7.04050490 8.89569734
-0.00009465 -0.00007650 0.00013671
0.01402925 0.01989365 -0.01549149
-21.12262997 2.29851011 22.77710256
0.00013904 0.00008386 0.00007143
-0.01154835 0.00126746 0.04034432
25.68656236 -3.22149524 -8.13685111
0.00004905 0.00018459 -0.00017357
0.00993106 -0.00587992 0.00953282
9.88488027 -13.94924890 -8.28714910
0.00004481 0.00004490 -0.00033647
-0.00064255 -0.00957363 0.00675931
-6.73629858 -12.43787800 16.97440605
0.00002058 0.00013702 0.00007063
0.01909707 0.01519934 0.01402299
7.84181130 3.13936844 -29.33348217
-0.00034471 -0.00035355 0.00010425
0.01279924 -0.00976209 0.00489759
10.97603931 15.49658957 15.36600294
0.00023266 0.00037839 0.00009519
-0.00624957 0.01588186 0.04726172
28.70919390 6.21845244 -3.40695463
0.00014070 0.00014533 -0.00027045
0.00540497 0.00125157 0.01262685
5.33452304 -31.58485515 -3.44524704
-0.00017509 -0.00080513 -0.00014399
0.01311300 -0.00475304 -0.00293901
4.59549101 -31.24856118 -0.48585619
0.00071015 0.00017301 0.00006443
0.00522754 -0.01051483 0.00794710
-11.95574483 -3.41069542 -8.94459347
-0.00058924 0.00030752 -0.00073769
0.00947840 0.02062347 -0.00253625
-12.49118350 -1.16542432 -10.79053976
0.00038521 0.00053857 0.00002297
0.01327680 -0.00084213 0.01677095
-38.99102080 2.00650810 1.13298318
0.00034767 0.00035888 0.00042096
-0.01653920 0.00010428 0.00976649
-37.95019225 3.88184394 -0.95564448
0.00018667 -0.00057992 0.00044753
0.00687520 -0.02180606 0.02014999
-10.61035694 -5.68799402 3.38065234
-0.00054853 0.00012708 -0.00035569
-0.01699726 0.03266276 0.00940102
-10.74711536 -2.59708608 3.75900931
-0.00017551 -0.00018844 0.00053696
-0.00308637 -0.02299712 0.00443341
4.54242581 -2.27958572 8.33273756
-0.00072802 0.00014076 -0.00006474
-0.00511549 -0.03729157 0.01516702
4.07056517 -3.70898783 10.89648150
-0.00119487 -0.00056282 -0.00015839
0.00447754 -0.00536104 -0.01232735
-33.81844135 -1.43894843 -0.16616785
-0.00104688 0.00061762 0.00092881
-0.00466811 -0.00418579 -0.00413484
-32.89265784 1.05320526 0.92328943
-0.00075867 0.00118476 0.00012853
0.01003533 -0.01998597 -0.02448748
13.93278780 12.70182741 -15.34800406
-0.00132366 0.00043694 0.00013587
-0.01132814 0.00911300 -0.06847101
16.25781479 12.36495177 -13.55446864
-0.00106482 0.00073211 -0.00061636
-0.03110856 -0.00022073 -0.01213778
-8.56843222 7.35284986 1.67775387
0.00069468 0.00020487 0.00044200
-0.00240065 0.00856528 0.00061181
-7.39076977 4.88265917 1.21112882
-0.00005095 0.00105129 0.00093054
-0.00196605 0.00693485 0.02444412
6.06910331 12.37516134 -7.25089452
0.00008200 0.00023197 -0.00093773
0.01921546 0.00099487 0.01252198
8.86296465 13.54534238 -6.66687398
-0.00045560 -0.00078789 0.00032802
-0.01192921 -0.00823535 0.00710329
8.46484209 8.64757378 -20.29477020
0.00009154 -0.00033963 0.00074706
0.00881326 0.01271275 0.01013546
10.17804453 11.08578058 -19.62442567
0.00065056 -0.00072600 0.00075645
-0.00966196 -0.01781375 0.00681513
24.03410686 15.77106465 -2.72185980
0.00073911 0.00001683 -0.00040656
-0.00054692 -0.02164026 -0.00272013
24.66924838 18.42644240 -2.52523864
-0.00099447 0.00083668 -0.00100144
-0.01059203 0.00414457 -0.00052908
1.85025582 16.89970295 -21.36955252
0.00001646 0.00032697 0.00046100
-0.02140831 0.00503596 -0.04679898
3.55349308 15.62568744 -19.58318611
-0.00028830 0.00078793 -0.00023862
-0.01308203 0.00207723 0.01421486
12.53607890 -1.19379889 -6.87761543
0.00059236 -0.00142328 -0.00105939
0.00242348 0.00175848 0.00176530
13.41629754 -0.88943788 -3.99996412
0.00018534 0.00016072 -0.00032745
-0.00556557 -0.00673381 -0.01867115
-17.63594130 -2.13420523 2.51316969
-0.00044407 0.00026995 0.00022129
0.02747686 0.01267405 0.02314103
-14.76395614 -2.67736673 2.94365381
-0.00094173 -0.00049314 -0.00118932
-0.00359128 0.00616824 0.01018950
-16.73425029 -0.71899403 20.08166561
-0.00023733 0.00022643 -0.00040097
0.01030696 -0.00279116 -0.01275734
-15.21682274 -3.24364277 19.79201846
0.00062144 0.00000256 0.00040714
-0.01791203 0.02037858 -0.01903050
-0.47224691 0.44218822 -4.88142874
-0.00033460 -0.00014697 -0.00005779
-0.00110480 0.00074282 -0.00479420
-0.87248211 3.29339797 -4.94886635
-0.00054527 -0.00110773 -0.00001503
-0.00853535 0.01140870 -0.00387260
23.41615777 -8.83083545 -9.14198013
-0.00044104 0.00045476 -0.00011668
0.00509598 0.02286403 0.00095033
24.01658450 -5.80191134 -8.56552916
-0.00055566 0.00020433 0.00059174
-0.00007927 -0.00895929 0.00073983
0.18202568 -6.26746458 5.71241977
-0.00042236 -0.00026618 0.00002460
-0.00439787 0.00325800 -0.01689841
0.69631768 -6.32750840 8.39997593
0.00043169 -0.00075714 -0.00092207
-0.00908084 0.00956669 0.00510079
-0.57235702 -2.68697779 -19.42670603
0.00040038 0.00046162 -0.00082862
0.03469640 -0.02682611 0.00800842
-2.99029778 -2.01329436 -20.56429484
0.00030756 -0.00015351 0.00065192
0.00013916 0.01065243 0.00869921
2.67747776 2.97454142 -10.66124033
0.00041497 0.00107693 0.00048787
0.00639022 -0.01481711 0.01127848
2.11627249 2.04758574 -7.87504289
-0.00038020 -0.00160204 0.00021831
-0.01941187 0.00814470 0.02114942
-2.12968449 16.69573370 12.32023071
0.00086983 -0.00068490 -0.00034197
-0.02969483 0.01435336 0.00288776
-3.66367454 18.63165835 13.92348219
-0.00061551 -0.00096881 -0.00000090
0.00640501 0.00469143 -0.00609751
-5.29124853 6.04343044 -11.15226902
-0.00137632 -0.00045292 0.00040933
-0.02774988 0.02845697 -0.00365479
-4.19714290 3.79462940 -12.31108871
-0.00122799 -0.00044019 -0.00046254
0.00412792 -0.03144531 -0.02685415
-7.61088617 1.86374613 -7.37736743
-0.00025696 -0.00071358 -0.00053782
-0.00831525 0.00023990 -0.01396241
-6.34217030 3.29059519 -9.43479260
-0.00008045 -0.00006934 -0.00037890
0.05747158 0.01659590 -0.01615373
2.94868370 28.08779945 7.07255624
0.00009935 -0.00080382 0.00067344
-0.00583004 -0.01277555 0.01710865
1.05746883 28.60409050 9.14549038
0.00042512 0.00089077 -0.00033640
-0.01332859 0.00547161 0.00660844
10.60517131 -7.38984604 -0.80838626
0.00011457 -0.00017279 0.00044168
0.01022760 -0.01145602 0.01409522
8.48775615 -7.22777469 -2.79283593
-0.00033384 -0.00069404 0.00048480
-0.00532017 -0.00928637 -0.00204322
-7.11510539 0.32729029 6.74878667
-0.00034317 -0.00060787 0.00057918
0.02593361 -0.00145776 -0.00060038
-9.79367102 -0.15717285 7.25885509
-0.00090136 0.00089927 0.00063282
0.00841255 0.02029277 -0.02656389
21.56412453 10.55589297 10.20940491
-0.00079108 0.00107383 0.00065465
-0.00981061 0.00390284 -0.01026837
20.67759663 12.57766054 8.35583520
-0.00085532 0.00082129 -0.00008762
0.00527842 0.02454190 -0.00999585
-1.05302179 -3.46149785 -26.40027128
0.00046082 0.00070770 0.00018437
-0.02600900 0.02620404 -0.02048922
-3.76045185 -2.04956780 -26.70686643
0.00145892 0.00005452 0.00030336
0.00429269 -0.00220575 0.00404832
-13.80450509 7.27985202 9.22856591
0.00027417 0.00002179 0.00004376
0.00515856 -0.01044019 0.00232515
-15.47775723 7.28561157 7.08566321
0.00045050 0.00023549 0.00088913
-0.00034289 -0.00209576 -0.00907838
-11.29885413 7.79830036 -2.64042344
0.00034452 0.00065318 0.00076834
0.00496590 -0.00565435 -0.00097429
-8.50330013 8.23829161 -3.57924383
-0.00059301 0.00020684 -0.00034332
-0.01546527 -0.00662346 0.00774814
-1.00198513 -16.89096077 22.95968148
-0.00057165 0.00040900 -0.00060868
0.00447242 -0.02158705 -0.00684148
-3.47635147 -15.57831729 23.69688861
-0.00087476 -0.00058146 -0.00043301
-0.06199806 -0.01206671 0.01423746
-2.42153554 6.37796030 -7.96697423
-0.00109637 0.00031753 0.00024573
-0.00150501 -0.00539750 -0.01373855
-4.44150590 6.83301127 -5.94935444
0.00066079 -0.00099495 0.00006381
0.00041205 0.00481727 0.00305672
-21.43088764 29.74906275 3.06442998
-0.00111906 -0.00069748 -0.00048244
-0.00446593 0.01086091 0.00645192
-21.09759106 31.03516563 5.73131192
-0.00070088 -0.00020780 0.00075832
-0.00698927 0.00126321 -0.01062332
6.91975567 -0.00178297 6.02226321
-0.00070419 0.00102666 -0.00058440
-0.00334656 -0.01316810 -0.01673813
7.45833953 2.10896789 7.79063764
-0.00083715 0.00003952 -0.00085242
-0.00009002 0.00733042 0.00955250
7.11541925 12.77518242 -13.65617890
0.00004399 0.00018596 0.00169570
0.00595401 0.00555597 0.00140940
4.52932455 11.80199144 -14.98199913
0.00030939 0.00004095 -0.00025717
0.03987184 -0.00655012 0.04473374
14.31701823 3.75636699 -2.75691607
-0.00031375 0.00036716 0.00090963
0.00372660 -0.00020316 0.00540767
14.85917864 1.00864580 -1.91502558
-0.00008935 0.00027716 0.00050352
0.01367131 0.03307446 0.00957229
-2.67550155 12.85430804 -0.41673778
-0.00043589 -0.00094372 0.00043490
-0.01089065 -0.00130738 0.00762574
-5.59966826 13.02700485 0.65178591
-0.00004041 0.00004818 0.00023153
0.01634292 -0.00412171 -0.00719932
3.38966838 11.13671406 3.24158286
-0.00136018 0.00016163 -0.00078578
0.01721641 0.01147718 -0.00931262
6.30910425 11.55226006 2.95362337
-0.00001793 -0.00109123 0.00023369
0.01750595 -0.00905249 0.00572433
25.29283375 -12.45191987 -8.36494808
0.00011603 -0.00009804 0.00008175
-0.00631768 -0.01112372 0.01085358
26.69641688 -11.70953948 -10.89848816
0.00086127 0.00002629 -0.00053180
-0.02263971 0.01172540 -0.00263154
14.99416274 -3.44793332 0.08575091
0.00059978 0.00113393 0.00135436
0.02306460 0.00289918 -0.01092598
17.01317209 -5.52776799 -0.55260007
-0.00025074 0.00016748 -0.00007295
-0.00088904 0.03206713 -0.00818011
12.27192246 7.86681613 11.76389591
-0.00103873 -0.00054601 0.00043486
-0.00459083 0.00791848 0.00420145
13.47169300 9.76221861 9.74004670
-0.00015172 -0.00013260 -0.00050006
-0.00467769 -0.00878436 0.00198472
-0.05712098 -14.71751451 17.31549768
0.00024300 0.00041432 0.00056293
-0.01507750 0.00299159 0.00044538
1.50578060 -12.40888264 18.47492516
-0.00014111 -0.00011746 0.00066482
-0.00156783 -0.01881629 -0.00740484
-3.99402008 -2.21670604 -13.08596323
-0.00019122 0.00116935 0.00050289
0.00604568 0.01488768 -0.01262890
-3.29023527 -1.27268096 -15.87446183
0.00076812 -0.00118865 -0.00063916
0.00366358 -0.00122615 0.00920412
14.74201024 -8.25371438 -10.57262737
0.00021458 -0.00035258 -0.00062600
-0.00411699 0.01092599 0.01446352
16.38560622 -6.08701460 -9.15550979
0.00034163 0.00089641 0.00113632
-0.01566140 -0.02539104 -0.00246550
6.77932280 -6.09191112 8.55866875
0.00065523 -0.00010554 -0.00087853
0.01947943 0.00585002 0.00386512
9.67531527 -6.58301922 7.62600091
-0.00039993 -0.00006394 0.00082615
-0.01978924 0.00320268 0.01220103
-21.80512753 2.00723209 21.15826915
0.00031147 -0.00000746 0.00062023
-0.00113123 -0.00266036 -0.03450315
-22.36985528 1.40703065 23.88217349
-0.00061933 0.00039695 -0.00019382
0.01770100 0.00205902 -0.00867635
26.72948672 -2.95133931 -6.65191303
-0.00000030 -0.00009494 -0.00031359
0.00057169 -0.00179197 0.00018724
25.27780432 -1.53712620 -8.68646060
0.00003176 0.00005788 -0.00056281
-0.00509851 0.01685402 -0.00567708
9.75114163 -15.67332350 -7.69383092
0.00094255 0.00078924 -0.00066950
-0.00189363 -0.00643578 -0.00426398
9.32923605 -12.99555540 -6.83556472
0.00043049 0.00019131 -0.00016315
-0.00455740 0.01037520 -0.00235056
-5.97247476 -11.32041517 18.29005137
-0.00014314 -0.00046224 -0.00039492
-0.00604862 -0.00719850 -0.02039730
-7.04030648 -11.44037134 15.47275406
0.00051148 0.00019277 0.00004374
0.00061968 0.00759566 0.00252682
8.37145695 1.37224840 -29.40015402
-0.00054324 0.00035959 -0.00047601
0.00231349 0.01032829 -0.00074214
6.12029093 3.09296918 -29.91653553
-0.00071281 -0.00149114 -0.00041963
-0.01130485 -0.00485943 -0.01181255
12.72477494 15.21016806 14.64141159
0.00052022 -0.00119463 -0.00076468
0.00118968 -0.00259914 -0.00738733
11.21959407 15.91008010 17.24374369
0.00004046 0.00039081 0.00028907
-0.00504853 -0.00561128 -0.04299741
29.26208313 4.87367194 -4.53116203
0.00020004 0.00045340 -0.00010789
0.00452086 -0.00250294 -0.00561535
26.98183503 6.55790618 -3.88797279
-0.00031148 0.00097032 0.00033597
-0.00954821 0.00633607 0.00023253
-9.94480010 4.88182960 6.60771296
-0.00001713 0.00014247 -0.00023448
-0.00105634 0.01276922 0.00180316
-8.76100811 13.34240853 2.59480136
-0.00010811 0.00006177 -0.00000182
-0.00516763 -0.00084643 0.00063436
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09594575
0.32135421
428.18837363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3534348806 (a.u.)
total exchange computation time: 2.7577059269 s
-154.2232228463
-931.41964924
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3533858609 (a.u.)
total exchange computation time: 2.7551579475 s
-154.2247285124
Anderson extrapolation: theta=1.3402142011 (1.3402142011)
-931.41987557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3532590682 (a.u.)
total exchange computation time: 2.7567670345 s
-154.2271870378
Anderson extrapolation: theta=0.0501696172 (0.0501696172)
-931.42000974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3531993046 (a.u.)
total exchange computation time: 2.7604990005 s
-154.2277313615
Anderson extrapolation: theta=1.8741725569 (1.8741725569)
-931.42001464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3530649780 (a.u.)
total exchange computation time: 2.7562718391 s
-154.2288640791
Anderson extrapolation: theta=0.2136014419 (0.2136014419)
-931.42001974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3530271940 (a.u.)
total exchange computation time: 2.7581200600 s
-154.2291167510
Anderson extrapolation: theta=1.8567243709 (1.8567243709)
-931.42002073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3529686594 (a.u.)
total exchange computation time: 2.7560250759 s
-154.2294441081
Anderson extrapolation: theta=0.2845401935 (0.2845401935)
-931.42002204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3529647788 (a.u.)
total exchange computation time: 2.7557258606 s
-154.2293983430
Anderson extrapolation: theta=1.3030267987 (1.3030267987)
-931.42002238
-71.890341 67.807935 98.073083
559.241156 1031.387547 -410.172744
487.350815 1099.195481 -312.099661
1242.234970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1342779881
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3529696882 (a.u.)
total exchange computation time: 2.7597949505 s
678.58221094
-1082.97052061
89.88719252
-389.74308199
-174.82285387
77.88738987
551.60419304
0.00000000
-931.42002269
4.05803443 -31.14290092 -2.22591199
0.00009845 -0.00051686 0.00006906
-0.02415684 0.00980675 -0.00717919
-11.47606011 -1.60163588 -9.28057037
-0.00001740 0.00036759 -0.00010765
-0.03468618 -0.02952400 -0.01809285
-37.51462167 2.41408278 0.21769218
-0.00010224 0.00000055 0.00006425
0.01489364 0.02835750 -0.03481897
-11.72179130 -4.18388732 3.94562765
0.00004605 -0.00008404 0.00013614
0.01939362 -0.00699275 -0.00983400
4.15462482 -4.01759342 9.05006361
-0.00020412 -0.00007890 -0.00037527
0.00630989 0.03410870 -0.00780998
-32.37750127 -0.34956160 -0.23665611
-0.00052675 0.00007811 0.00032065
-0.01358367 0.01911458 0.02896186
14.36428106 12.51454986 -13.68574128
-0.00003008 -0.00016207 0.00037220
0.04455542 -0.00605216 0.06584927
-7.72914683 6.07193962 2.66464538
-0.00004096 -0.00005192 -0.00005512
0.00589650 -0.01715914 -0.01881355
7.43001474 12.37237612 -5.97499580
-0.00026496 -0.00030518 -0.00023343
-0.00830710 0.00834671 -0.01965505
8.81762508 9.92983665 -18.99848947
0.00000341 0.00004566 -0.00025080
0.00865385 -0.00544539 -0.01539049
23.18658554 17.32393103 -2.24385073
-0.00020157 0.00004889 -0.00013217
0.01855993 0.01591074 -0.01033873
2.10842672 16.82120645 -19.63608884
-0.00002835 -0.00009089 -0.00010826
0.02731670 -0.00412531 0.04952077
13.99269520 -1.04090782 -5.74966928
-0.00012083 0.00029049 -0.00010263
0.00779983 -0.00052627 0.01882853
-16.04542817 -1.35763816 3.25076845
0.00006101 0.00007331 0.00006896
-0.03252879 -0.03406657 -0.02639379
-16.38021864 -2.08388422 18.84100959
0.00053405 -0.00034984 -0.00021102
0.01040070 -0.01382825 0.03622065
0.45963553 2.07258208 -4.82196662
0.00019455 0.00023632 0.00025506
0.00538795 -0.01346111 0.00393579
22.73329551 -7.10813584 -8.82161446
0.00026195 -0.00001872 0.00004072
-0.01656337 -0.00923852 -0.00443616
-0.76132027 -6.31145494 7.26605995
-0.00007510 0.00000771 0.00010727
0.01291052 -0.01080380 0.01124753
-1.73156624 -1.36549677 -19.32896432
-0.00008131 -0.00001987 -0.00004051
-0.04050272 0.01348901 -0.01138744
3.19571357 1.78933546 -9.29278837
-0.00006444 -0.00029897 0.00005224
0.00939215 0.01207205 -0.02953891
-3.79860275 17.73570730 12.30759658
0.00022567 0.00000536 0.00007105
0.03810220 -0.01332383 0.00300737
-3.82770633 5.04114988 -11.11883233
0.00021317 0.00019515 -0.00004667
0.01873403 0.00756754 0.00912340
-7.92196841 2.81476274 -8.94816435
0.00011570 -0.00025661 0.00019179
-0.05308258 -0.01556874 0.02791549
2.39763851 27.47255482 8.75166467
0.00023719 0.00007621 0.00020183
0.00794192 0.00203933 -0.01526475
9.62881180 -6.24265124 -1.79136032
-0.00032620 0.00007041 0.00005405
-0.00589506 0.01665379 -0.00727576
-8.71088325 0.81914254 6.02922910
0.00011274 -0.00001760 0.00010765
-0.03417293 -0.02785824 0.03175995
20.39936804 10.85361138 8.78925104
0.00018506 0.00000447 -0.00012893
0.00647465 -0.02144546 0.01448807
-2.08146276 -2.14363293 -27.45678941
0.00020390 -0.00010673 -0.00030488
0.01870918 -0.02910858 0.01707637
-14.28839967 6.14343613 7.86657620
0.00010856 -0.00003457 0.00028750
0.00556236 0.00958478 0.00707855
-9.57165584 7.27049971 -2.32649333
-0.00013766 -0.00015939 0.00051032
-0.00194696 0.00545322 -0.00256015
-1.79635537 -15.33111103 23.39057218
0.00025700 0.00046660 -0.00039390
0.04335829 0.02910185 -0.00607304
-2.70296458 6.32942704 -6.18349255
-0.00010824 0.00001327 0.00021229
0.00580927 -0.00707508 0.01161737
-20.21089706 30.61824128 4.17161902
-0.00015874 -0.00072062 -0.00010077
-0.00246714 -0.00203375 0.01468772
7.67773126 0.31135320 7.64258493
0.00021935 0.00028206 -0.00013905
0.00362545 0.00938897 0.01037398
5.75330279 11.50500560 -13.48113234
0.00002422 -0.00026742 0.00018822
-0.04689013 -0.02418078 -0.05183089
15.54065681 2.76028121 -1.79603201
0.00005984 -0.00007049 0.00020110
-0.00745173 -0.01306860 -0.00549924
-4.41825750 13.26908153 -0.79411276
-0.00010337 -0.00033073 0.00006850
-0.00385921 0.00076311 -0.00617507
4.72820035 12.45095027 2.81920850
0.00020803 0.00028590 -0.00055523
-0.04047300 -0.00051325 0.00324266
25.06913027 -11.53932661 -9.91317970
-0.00001868 0.00017583 -0.00009869
0.01600433 -0.00825097 0.00281713
16.70530485 -3.62305629 -0.67961874
0.00031454 0.00018692 -0.00022863
-0.01811790 -0.03024784 0.01969379
13.17672747 7.97715492 10.17820787
0.00046342 -0.00002167 0.00013179
0.01153078 -0.01211275 -0.00865377
1.61213724 -14.04468953 17.59039582
0.00016851 -0.00015190 -0.00018213
0.02961332 0.02749420 0.01013335
-3.86622446 -0.71838996 -14.20572197
0.00039389 -0.00001798 0.00025253
-0.00853578 -0.00802636 -0.00754597
15.02968698 -7.55507641 -8.86853456
-0.00015195 0.00020107 0.00011285
0.01922978 -0.00149070 -0.01829371
8.38601647 -7.04157565 8.89768819
-0.00008779 -0.00006667 0.00012957
0.01265228 0.01834568 -0.01226296
-21.12058888 2.29977293 22.77832966
0.00013317 0.00008449 0.00009329
-0.01126777 0.00117837 0.04465907
25.68733645 -3.21874911 -8.13941792
0.00005381 0.00018144 -0.00016901
0.00856897 -0.00634281 0.00820155
9.88554988 -13.94861232 -8.29217011
0.00004457 0.00004165 -0.00033344
-0.00027313 -0.00305818 0.00504315
-6.73591620 -12.43576403 16.97551963
0.00002978 0.00014408 0.00007704
0.01665679 0.01225160 0.01089462
7.83668998 3.13402755 -29.33189950
-0.00033969 -0.00035750 0.00010631
0.00673218 -0.00561894 0.00308801
10.97950510 15.50232668 15.36761312
0.00022992 0.00038623 0.00011915
-0.00439157 0.01460131 0.04590509
28.71132527 6.22063724 -3.41096264
0.00014265 0.00014668 -0.00026365
0.00215860 0.00400011 0.01381131
5.33229857 -31.59707768 -3.44749693
-0.00012215 -0.00082403 -0.00015560
0.01279937 -0.00450022 -0.00274480
4.60630342 -31.24628823 -0.48464627
0.00073069 0.00013004 0.00009549
0.00482805 -0.01051713 0.00726052
-11.96429299 -3.40545059 -8.95573654
-0.00054959 0.00039201 -0.00074686
0.00993232 0.02073202 -0.00195046
-12.48499851 -1.15737157 -10.78968136
0.00043738 0.00053694 0.00008804
0.01225988 0.00004315 0.01508553
-38.98631249 2.01189447 1.13959688
0.00027667 0.00035831 0.00046293
-0.01822009 -0.00038041 0.01077631
-37.94718154 3.87247698 -0.94831407
0.00021280 -0.00066274 0.00052482
0.00591429 -0.01873687 0.01768555
-10.61910578 -5.68508687 3.37560505
-0.00061552 0.00025842 -0.00031767
-0.01579177 0.03162794 0.00921164
-10.74984252 -2.60061738 3.76719955
-0.00018614 -0.00027931 0.00055430
-0.00212086 -0.02148662 0.00405396
4.53134881 -2.27861699 8.33223125
-0.00074841 -0.00001096 -0.00000287
-0.00486520 -0.03697792 0.01511997
4.05277933 -3.71759435 10.89372793
-0.00117566 -0.00058454 -0.00021109
0.00492636 -0.00527228 -0.01347225
-33.83428757 -1.42981233 -0.15236239
-0.00106401 0.00060144 0.00091140
-0.00372027 -0.00373499 -0.00438663
-32.90373039 1.07036416 0.92446698
-0.00071512 0.00109641 0.00002370
0.01128526 -0.02326111 -0.02682584
13.91258573 12.70866083 -15.34806422
-0.00136666 0.00047320 -0.00012785
-0.00971998 0.00863674 -0.06062111
16.24088918 12.37592672 -13.56408596
-0.00117747 0.00072949 -0.00066478
-0.02403112 -0.00106513 -0.01156535
-8.55808561 7.35618545 1.68440266
0.00068170 0.00024483 0.00044131
-0.00395054 0.01099404 -0.00095221
-7.39159433 4.89864108 1.22583596
-0.00005623 0.00106818 0.00101778
-0.00061863 0.00133077 0.01825966
6.07092217 12.37867130 -7.26457674
0.00016149 0.00023543 -0.00088436
0.01969360 0.00069989 0.01360211
8.85576515 13.53327167 -6.66173601
-0.00050072 -0.00081772 0.00035574
-0.01016078 -0.00636618 0.00646314
8.46648526 8.64286890 -20.28325366
0.00012708 -0.00029163 0.00078321
0.00858117 0.01078454 0.00756004
10.18750679 11.07434464 -19.61287008
0.00061339 -0.00079601 0.00078151
-0.00852905 -0.01645304 0.00545343
24.04517668 15.77065401 -2.72804154
0.00073359 -0.00006488 -0.00041498
-0.00215154 -0.01835661 -0.00140017
24.65400669 18.43911959 -2.54027644
-0.00103684 0.00085269 -0.00100268
-0.01014643 0.00369258 -0.00007611
1.84984666 16.90476174 -21.36407152
-0.00007231 0.00034802 0.00026046
-0.02204301 0.00527271 -0.05136732
3.54876766 15.63757007 -19.58632981
-0.00033399 0.00078996 -0.00018015
-0.00928016 -0.00108322 0.01440741
12.54503852 -1.21509424 -6.89345223
0.00060292 -0.00141511 -0.00104879
0.00274635 0.00224301 0.00342645
13.41890710 -0.88723348 -4.00544806
0.00015976 0.00013330 -0.00040006
-0.00695517 -0.00668648 -0.01687025
-17.64176041 -2.12976760 2.51719817
-0.00033055 0.00032358 0.00031654
0.02809332 0.01357952 0.02348165
-14.77819208 -2.68457485 2.92612621
-0.00095395 -0.00046754 -0.00114629
-0.00239052 0.00636352 0.01087510
-16.73749445 -0.71568312 20.07526016
-0.00019361 0.00021041 -0.00045649
0.01109594 -0.00504961 -0.01442290
-15.20804998 -3.24297992 19.79754239
0.00054759 0.00008605 0.00032854
-0.01824064 0.02048990 -0.01944520
-0.47729982 0.44000648 -4.88244253
-0.00033391 -0.00013951 -0.00007689
0.00144316 0.00290577 -0.00455616
-0.88092267 3.27713169 -4.94921045
-0.00058279 -0.00105530 -0.00003136
-0.00983076 0.01425568 -0.00412116
23.40969829 -8.82331349 -9.14370114
-0.00041570 0.00054036 -0.00011382
0.00731145 0.01904224 0.00044882
24.00824719 -5.79912097 -8.55663035
-0.00055148 0.00017042 0.00059504
0.00212447 -0.00763936 0.00087579
0.17555554 -6.27135752 5.71227088
-0.00044052 -0.00025276 -0.00004667
-0.00449288 0.00331582 -0.01798738
0.70251483 -6.33857234 8.38630117
0.00039697 -0.00071775 -0.00089773
-0.00791759 0.00971502 0.00681479
-0.56528805 -2.68087558 -19.43888997
0.00054175 0.00035369 -0.00079580
0.03450331 -0.02600464 0.00805622
-2.98568011 -2.01527051 -20.55424953
0.00030169 -0.00011249 0.00068139
-0.00301057 0.00942345 0.00573076
2.68389806 2.99024138 -10.65357674
0.00044133 0.00101288 0.00053737
0.00651676 -0.01653573 0.01295606
2.10997467 2.02380471 -7.87112010
-0.00045789 -0.00156776 0.00030206
-0.01861706 0.00863574 0.01984407
-2.11754692 16.68590011 12.31518972
0.00074312 -0.00062214 -0.00032847
-0.03233145 0.01636596 0.00371666
-3.67271088 18.61726990 13.92328177
-0.00058700 -0.00094519 -0.00001895
0.00755005 0.00687056 -0.00273704
-5.31274364 6.03750863 -11.14624114
-0.00147496 -0.00034544 0.00039560
-0.02053580 0.02415419 -0.00306490
-4.21543631 3.78706297 -12.31884975
-0.00120580 -0.00055470 -0.00055819
0.00673814 -0.02460632 -0.01996326
-7.61499545 1.85304974 -7.38586259
-0.00028887 -0.00071538 -0.00058930
-0.00730181 -0.00112038 -0.01123585
-6.34161598 3.29006368 -9.44097114
0.00015121 -0.00000322 -0.00044291
0.05592990 0.01576895 -0.01517857
2.94999537 28.07535066 7.08318205
0.00007939 -0.00085263 0.00073347
-0.00394325 -0.01111906 0.01227881
1.06343720 28.61761978 9.14064691
0.00037424 0.00090984 -0.00030961
-0.01157535 0.00386177 0.00650588
10.60720320 -7.39278896 -0.80132912
0.00015083 -0.00021225 0.00049349
0.00752454 -0.00785832 0.01126707
8.48258547 -7.23846986 -2.78562647
-0.00035361 -0.00072953 0.00047780
-0.00435497 -0.00808743 -0.00138421
-7.11945822 0.31812757 6.75745601
-0.00023697 -0.00061398 0.00057673
0.02605055 -0.00153116 -0.00060238
-9.80693357 -0.14306197 7.26753345
-0.00086375 0.00098373 0.00052103
0.00999659 0.02104864 -0.02815890
21.55195778 10.57211995 10.21890993
-0.00082882 0.00108872 0.00061430
-0.00866352 0.00338906 -0.00948175
20.66492858 12.59073197 8.35421455
-0.00083524 0.00091096 -0.00012588
0.00454964 0.01934945 -0.00872904
-1.04690648 -3.45007940 -26.39813364
0.00035578 0.00081213 0.00010066
-0.02540967 0.02491398 -0.02048743
-3.73843657 -2.04881755 -26.70219191
0.00146300 0.00004685 0.00032481
-0.00229516 -0.00155054 0.00644865
-13.80023453 7.27985902 9.22929359
0.00029640 -0.00002067 0.00005524
0.00572729 -0.01034682 0.00329531
-15.47101027 7.28907973 7.09872197
0.00044492 0.00022957 0.00084882
-0.00238951 -0.00080273 -0.01065177
-11.29353419 7.80792479 -2.62892815
0.00035957 0.00063027 0.00076463
0.00240152 -0.00556089 -0.00084447
-8.51266915 8.24119121 -3.58415618
-0.00065637 0.00017686 -0.00030786
-0.01555219 -0.00805189 0.00960798
-1.01042286 -16.88548733 22.95034165
-0.00055013 0.00031798 -0.00063808
0.00606005 -0.02296653 -0.00754848
-3.49137274 -15.58740889 23.69082968
-0.00109919 -0.00062547 -0.00037961
-0.04785941 -0.00947790 0.01190197
-2.43802720 6.38255790 -7.96370922
-0.00110012 0.00029510 0.00018696
-0.00033176 -0.00558450 -0.01503246
-4.43158140 6.81823464 -5.94830370
0.00064689 -0.00097144 0.00008002
-0.00721704 0.00669050 0.00488154
-21.44781038 29.73893332 3.05739112
-0.00113102 -0.00064839 -0.00044997
-0.00139053 0.01317157 0.00943977
-21.10831836 31.03208741 5.74236123
-0.00072183 -0.00020606 0.00070169
-0.00327021 -0.00041379 -0.01709989
6.90909029 0.01321335 6.01298424
-0.00071270 0.00097127 -0.00064366
-0.00081904 -0.01394093 -0.01226611
7.44577950 2.10978532 7.77814406
-0.00083635 0.00007281 -0.00081045
0.00048048 0.00896275 0.01099149
7.11626147 12.77814202 -13.63070016
0.00006655 0.00020724 0.00170018
0.00509210 0.00486144 0.00078015
4.53518720 11.80240492 -14.98448586
0.00047273 0.00001404 -0.00007347
0.04008495 -0.00662147 0.04518855
14.31242616 3.76186823 -2.74310585
-0.00029752 0.00036505 0.00093215
0.00421976 -0.00083119 0.00561296
14.85825730 1.01381669 -1.90717951
-0.00003525 0.00040798 0.00054176
0.01281127 0.03096189 0.00914973
-2.68237357 12.84011212 -0.40998053
-0.00047831 -0.00094907 0.00046577
-0.00987484 -0.00130926 0.00748300
-5.59977368 13.02760127 0.65503818
0.00002596 0.00003134 0.00020134
0.01615025 -0.00412408 -0.00757551
3.36979318 11.13949015 3.22951080
-0.00128121 0.00021520 -0.00082548
0.02144414 0.01474938 -0.01012339
6.30937175 11.53561429 2.95730416
0.00004682 -0.00112381 0.00025610
0.01418875 -0.00689690 0.00524487
25.29438065 -12.45373137 -8.36338929
0.00008945 -0.00014057 0.00012131
-0.00669556 -0.00969608 0.00851502
26.70864212 -11.70878590 -10.90654583
0.00076017 0.00007527 -0.00053845
-0.02684555 0.01225274 -0.00062355
15.00386615 -3.43083556 0.10573155
0.00069852 0.00114443 0.00130633
0.02527283 0.00224318 -0.01258637
17.00938377 -5.52427323 -0.55394491
-0.00025412 0.00029757 -0.00010631
-0.00076719 0.03161514 -0.00815081
12.25620085 7.85886860 11.77054759
-0.00104961 -0.00051075 0.00043895
-0.00073792 0.00934463 -0.00220061
13.46927386 9.75996041 9.73260655
-0.00017063 -0.00016742 -0.00049054
-0.00457910 -0.00826016 0.00267518
-0.05393806 -14.71120810 17.32395521
0.00017689 0.00042283 0.00056319
-0.01728156 0.00117772 -0.00031525
1.50361596 -12.41122116 18.48467053
-0.00014580 -0.00019876 0.00063162
-0.00073066 -0.02098186 -0.00884837
-3.99670305 -2.19870957 -13.07880694
-0.00016670 0.00122108 0.00045691
0.00595322 0.01043488 -0.00987855
-3.27860126 -1.29054829 -15.88376719
0.00077732 -0.00118802 -0.00058560
0.00084294 0.00153448 0.01701162
14.74510284 -8.25866824 -10.58157419
0.00019992 -0.00030299 -0.00055752
-0.00306180 0.01334685 0.01905858
16.39025080 -6.07434647 -9.13854049
0.00027528 0.00078909 0.00112317
-0.01681795 -0.02714503 -0.00397125
6.78974822 -6.09331488 8.54560929
0.00072928 -0.00007962 -0.00086198
0.01676558 0.00683382 0.00423315
9.66870994 -6.58388020 7.63876705
-0.00047261 -0.00004963 0.00086916
-0.01578900 0.00380411 0.00885145
-21.80049014 2.00703872 21.16651526
0.00030417 -0.00001931 0.00047054
-0.00244012 -0.00314169 -0.03877037
-22.37860278 1.41304806 23.87900028
-0.00054491 0.00040635 -0.00022924
0.01872917 0.00253854 -0.00866303
26.72949976 -2.95281828 -6.65661112
0.00000383 -0.00010124 -0.00031081
0.00145104 -0.00129257 0.00117452
25.27812449 -1.53574160 -8.69507670
0.00001183 0.00012609 -0.00058527
-0.00465869 0.01653737 -0.00531955
9.76522186 -15.66168215 -7.70400412
0.00093316 0.00075008 -0.00068185
-0.00270178 -0.01273315 -0.00177949
9.33555374 -12.99236789 -6.83808398
0.00041217 0.00023252 -0.00017404
-0.00441003 0.00979787 -0.00298061
-5.97480725 -11.32756934 18.28350256
-0.00016395 -0.00048590 -0.00047104
-0.00413825 -0.00438459 -0.01686488
-7.03261526 -11.43724697 15.47348758
0.00051375 0.00022372 0.00005361
0.00049162 0.00755079 0.00230512
8.36337923 1.37795880 -29.40731688
-0.00052859 0.00039119 -0.00047834
0.00485615 0.00513993 -0.00040050
6.10925238 3.07045322 -29.92319197
-0.00075155 -0.00150859 -0.00046455
-0.00765783 -0.00368229 -0.01017621
12.73261469 15.19216899 14.62971495
0.00051949 -0.00120220 -0.00079048
-0.00154742 -0.00110941 -0.00523745
11.22004621 15.91577036 17.24676220
0.00002087 0.00036745 0.00011190
-0.00453911 -0.00582684 -0.04373039
29.26522232 4.88039632 -4.53295240
0.00021780 0.00044033 -0.00013385
0.00417234 -0.00389902 -0.00709634
26.97687032 6.57265516 -3.88292606
-0.00034338 0.00099325 0.00033745
-0.00606771 0.00488985 0.00049017
-9.94505989 4.88400093 6.60420055
-0.00001750 0.00014702 -0.00023381
-0.00101286 0.01262636 0.00193910
-8.76263875 13.34333360 2.59477515
-0.00010931 0.00006155 -0.00000165
-0.00512886 -0.00106276 0.00086542
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09600779
0.32401490
431.73361488
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3519944773 (a.u.)
total exchange computation time: 2.6872150898 s
-154.2168382423
-931.42191421
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3520133268 (a.u.)
total exchange computation time: 2.7236678600 s
-154.2179504449
Anderson extrapolation: theta=1.3561970090 (1.3561970090)
-931.42212942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3519786638 (a.u.)
total exchange computation time: 2.7267210484 s
-154.2199142653
Anderson extrapolation: theta=0.0553269694 (0.0553269694)
-931.42225822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3519248199 (a.u.)
total exchange computation time: 2.7224650383 s
-154.2204432868
Anderson extrapolation: theta=1.9806768765 (1.9806768765)
-931.42226318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3517984058 (a.u.)
total exchange computation time: 2.7246110439 s
-154.2215771772
Anderson extrapolation: theta=0.2240347725 (0.2240347725)
-931.42226827
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3517634483 (a.u.)
total exchange computation time: 2.7259299755 s
-154.2218165205
Anderson extrapolation: theta=1.7946702622 (1.7946702622)
-931.42226918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3517129853 (a.u.)
total exchange computation time: 2.7237019539 s
-154.2220940779
Anderson extrapolation: theta=0.2754372931 (0.2754372931)
-931.42227015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3517115113 (a.u.)
total exchange computation time: 2.7243649960 s
-154.2220304252
Anderson extrapolation: theta=1.2989668161 (1.2989668161)
-931.42227039
-71.949062 67.833087 98.023341
559.198600 1031.388969 -410.152568
487.249538 1099.222056 -312.129227
1242.226185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3517180286 (a.u.)
total exchange computation time: 2.6879949570 s
678.56346662
-1082.93433197
89.88884374
-389.76784250
-174.82068845
77.86935280
551.60419304
0.00000000
-931.42227059
4.05941801 -31.15061595 -2.22490378
0.00008625 -0.00051181 0.00006548
-0.02330499 0.00980917 -0.00676224
-11.47645496 -1.59623586 -9.28225490
-0.00003495 0.00035218 -0.00011658
-0.03356393 -0.03040187 -0.01662120
-37.51609776 2.41420046 0.21852167
-0.00009406 0.00001424 0.00004696
0.01692131 0.02488282 -0.03243271
-11.72102572 -4.18517486 3.94763182
0.00005525 -0.00008772 0.00013133
0.01637749 -0.00731386 -0.00888897
4.15158734 -4.01864537 9.04440445
-0.00020106 -0.00006170 -0.00037898
0.00558962 0.03276588 -0.00660762
-32.38545498 -0.34831629 -0.23173459
-0.00053419 0.00008847 0.00033603
-0.01532374 0.02119132 0.03083271
14.36400174 12.51209552 -13.67990428
-0.00000999 -0.00016469 0.00040311
0.03356273 -0.00416567 0.05437088
-7.72973842 6.07109468 2.66374597
-0.00003800 -0.00005965 -0.00006260
0.00558382 -0.01289607 -0.01025850
7.42600832 12.36783068 -5.97857311
-0.00026970 -0.00030128 -0.00024354
-0.01011692 0.00681885 -0.01966799
8.81770965 9.93050053 -19.00231079
0.00000760 0.00004295 -0.00025761
0.00763392 -0.00507526 -0.01109257
23.18363365 17.32472575 -2.24587318
-0.00019158 0.00005621 -0.00013780
0.02026573 0.01254264 -0.01154508
2.10810681 16.81982722 -19.63752168
-0.00001530 -0.00009215 -0.00008232
0.02342941 -0.00077329 0.05134040
13.99091287 -1.03655252 -5.75113607
-0.00011652 0.00029007 -0.00009395
0.00895224 -0.00108743 0.01490774
-16.04463853 -1.35666985 3.25170101
0.00004397 0.00005571 0.00005523
-0.03371277 -0.03439704 -0.02700088
-16.37216778 -2.08918510 18.83798405
0.00053912 -0.00035634 -0.00019209
0.00930330 -0.01145158 0.03736957
0.46257462 2.07607490 -4.81812560
0.00019693 0.00022819 0.00025701
0.00383614 -0.01814174 0.00366635
22.73716093 -7.10845223 -8.82102071
0.00025226 -0.00002266 0.00003853
-0.02114147 -0.00608735 -0.00409909
-0.76239702 -6.31138100 7.26771243
-0.00006873 0.00000213 0.00011280
0.01187570 -0.01088784 0.01023126
-1.73294213 -1.36574282 -19.32961592
-0.00010089 -0.00001313 -0.00004556
-0.03561980 0.01271971 -0.00825497
3.19478317 1.78489751 -9.29211871
-0.00005999 -0.00029238 0.00003729
0.00790066 0.01354233 -0.02860668
-3.79507070 17.73573624 12.30867388
0.00024548 -0.00000246 0.00007171
0.03891630 -0.01707068 -0.00042644
-3.82443651 5.04410639 -11.11949717
0.00021999 0.00019841 -0.00004397
0.00779633 0.00508550 0.00135826
-7.92043773 2.81085355 -8.94517975
0.00008922 -0.00026375 0.00020490
-0.04988730 -0.01221009 0.02303185
2.40122698 27.47370584 8.75463325
0.00024022 0.00007727 0.00019550
0.00383197 0.00209951 -0.00935692
9.62389598 -6.24153090 -1.79057767
-0.00032878 0.00007766 0.00005092
-0.00410228 0.01156778 -0.00488554
-8.70932394 0.81877114 6.03096629
0.00009505 -0.00003199 0.00012431
-0.03462877 -0.02810035 0.03302979
20.40216897 10.85359565 8.78737301
0.00018831 -0.00000498 -0.00012215
0.00616079 -0.01527956 0.01186350
-2.07833212 -2.14534613 -27.46129681
0.00021491 -0.00012140 -0.00029681
0.02410286 -0.02795423 0.01432078
-14.28674977 6.14295452 7.87091597
0.00011173 -0.00002999 0.00029121
0.00673826 0.00824403 0.00736615
-9.57372826 7.26812983 -2.31884836
-0.00013788 -0.00015624 0.00050849
0.00108729 0.00679770 -0.00455435
-1.79233312 -15.32399984 23.38464021
0.00027503 0.00048098 -0.00039628
0.02676797 0.02684266 -0.00317498
-2.70456572 6.32959879 -6.18026332
-0.00010354 0.00000918 0.00021799
0.01244482 -0.00883759 0.01054783
-20.21328769 30.60742415 4.17016420
-0.00016153 -0.00072163 -0.00009243
-0.00839579 -0.00190792 0.01771039
7.68103555 0.31562030 7.64053919
0.00022046 0.00028668 -0.00013524
0.00066668 0.00859272 0.00443561
5.75348519 11.50090105 -13.47850895
0.00000070 -0.00027965 0.00016177
-0.04456803 -0.02338195 -0.05103017
15.54152568 2.75917348 -1.79303676
0.00005619 -0.00007637 0.00019828
-0.00675283 -0.00979437 -0.00546848
-4.41982289 13.26412358 -0.79310913
-0.00010552 -0.00033029 0.00006539
-0.00451647 0.00092877 -0.00592411
4.73116474 12.45523681 2.81089258
0.00018726 0.00028418 -0.00055315
-0.04031311 -0.00615975 0.00485504
25.06891175 -11.53672095 -9.91464916
-0.00000953 0.00017113 -0.00009701
0.01959447 -0.01002533 0.00370310
16.70995304 -3.62036915 -0.68297228
0.00030472 0.00017182 -0.00021816
-0.02007704 -0.02845807 0.02103396
13.18372330 7.97678310 10.18015141
0.00046843 -0.00002845 0.00012878
0.00793511 -0.01422253 -0.00305956
1.61477907 -14.04686191 17.58770294
0.00018398 -0.00013697 -0.00017647
0.03054822 0.03053700 0.01188618
-3.86034904 -0.71869066 -14.20196308
0.00039016 -0.00002151 0.00024603
-0.00596712 -0.00567982 -0.01775905
15.02748187 -7.55206613 -8.86691233
-0.00014201 0.00020001 0.00010264
0.01944011 -0.00261935 -0.02141682
8.38474840 -7.04250488 8.89958444
-0.00008172 -0.00005771 0.00012423
0.01095519 0.01648522 -0.00851192
-21.11863473 2.30104485 22.77990129
0.00012741 0.00008509 0.00011695
-0.01116054 0.00113536 0.04732940
25.68817666 -3.21605192 -8.14192146
0.00005783 0.00017820 -0.00016518
0.00706437 -0.00626191 0.00668060
9.88621738 -13.94799934 -8.29715222
0.00004450 0.00004175 -0.00033127
0.00000374 0.00345264 0.00339091
-6.73540531 -12.43355553 16.97671726
0.00003763 0.00014955 0.00008167
0.01390062 0.00899831 0.00711796
7.83162059 3.12864330 -29.33029301
-0.00033787 -0.00035926 0.00010741
0.00033903 -0.00121793 0.00122480
10.98293702 15.50817642 15.36957743
0.00022811 0.00039335 0.00014216
-0.00264593 0.01308509 0.04356457
28.71347330 6.22285289 -3.41486410
0.00014291 0.00014942 -0.00025629
-0.00112553 0.00666240 0.01481493
5.33085852 -31.60957600 -3.44991504
-0.00007118 -0.00084166 -0.00016588
0.01215181 -0.00413282 -0.00228845
4.61741172 -31.24465984 -0.48299138
0.00074925 0.00008716 0.00012316
0.00425611 -0.01047568 0.00628105
-11.97223244 -3.39893518 -8.96699916
-0.00050847 0.00047580 -0.00075347
0.01019487 0.02028281 -0.00128843
-12.47806216 -1.14931617 -10.78789843
0.00048473 0.00053922 0.00014518
0.01091868 0.00107591 0.01288154
-38.98272082 2.01725752 1.14687101
0.00020040 0.00035622 0.00050803
-0.01911238 -0.00064606 0.01130295
-37.94380837 3.86196171 -0.93989979
0.00023462 -0.00073164 0.00059092
0.00476758 -0.01499085 0.01466940
-10.62882244 -5.68024138 3.37112231
-0.00067683 0.00038431 -0.00028089
-0.01422190 0.02999494 0.00879083
-10.75269966 -2.60546551 3.77563823
-0.00019230 -0.00036295 0.00057001
-0.00089320 -0.01945354 0.00363860
4.51997364 -2.27991451 8.33265158
-0.00076743 -0.00015955 0.00005800
-0.00444780 -0.03575791 0.01467352
4.03529540 -3.72652400 10.89014870
-0.00115467 -0.00060580 -0.00026783
0.00534597 -0.00513730 -0.01430246
-33.85036179 -1.42090513 -0.13882577
-0.00107689 0.00058736 0.00089295
-0.00258169 -0.00315731 -0.00464619
-32.91411130 1.08609749 0.92400047
-0.00066706 0.00099622 -0.00008926
0.01223775 -0.02578282 -0.02846925
13.89178796 12.71602356 -15.35183962
-0.00140134 0.00050671 -0.00035431
-0.00725695 0.00776353 -0.05023198
16.22249080 12.38683639 -13.57441207
-0.00125854 0.00072342 -0.00071080
-0.01565329 -0.00190437 -0.01096324
-8.54798110 7.36019482 1.69099309
0.00066280 0.00029421 0.00043457
-0.00530322 0.01317579 -0.00234386
-7.39245680 4.91470455 1.24166217
-0.00005557 0.00106074 0.00107779
0.00094396 -0.00497472 0.01111428
6.07394797 12.38222416 -7.27742535
0.00024189 0.00023763 -0.00082748
0.01966273 0.00037974 0.01424268
8.84794293 13.52081079 -6.65620193
-0.00053815 -0.00083958 0.00038064
-0.00816172 -0.00433706 0.00572959
8.46865434 8.63882497 -20.27127380
0.00016152 -0.00025240 0.00080827
0.00828133 0.00841490 0.00470590
10.19644633 11.06190036 -19.60098027
0.00058158 -0.00086000 0.00080089
-0.00704310 -0.01487057 0.00402950
24.05611464 15.76911836 -2.73430910
0.00072131 -0.00013254 -0.00041782
-0.00385976 -0.01476341 0.00000718
24.63814317 18.45202308 -2.55531891
-0.00107715 0.00086682 -0.00100216
-0.00958705 0.00322481 0.00032754
1.84808657 16.91014368 -21.36173862
-0.00016283 0.00036975 0.00004597
-0.02226625 0.00536277 -0.05363029
3.54347349 15.64938630 -19.58859053
-0.00036341 0.00077852 -0.00012110
-0.00512355 -0.00451726 0.01449760
12.55416644 -1.23625213 -6.90907903
0.00061509 -0.00140489 -0.00103127
0.00321290 0.00276060 0.00514993
13.42109041 -0.88543887 -4.01196592
0.00012833 0.00010617 -0.00046414
-0.00843244 -0.00659496 -0.01449958
-17.64585778 -2.12449773 2.52266576
-0.00021615 0.00038010 0.00041237
0.02790382 0.01408482 0.02343046
-14.79257452 -2.69139298 2.90926510
-0.00096119 -0.00044132 -0.00110060
-0.00115384 0.00647404 0.01148939
-16.74005859 -0.71268169 20.06797079
-0.00014683 0.00018579 -0.00051820
0.01180376 -0.00700456 -0.01578428
-15.20039511 -3.24106133 19.80187461
0.00047346 0.00016890 0.00024911
-0.01804613 0.02006468 -0.01943715
-0.48226427 0.43800283 -4.88373554
-0.00032304 -0.00012363 -0.00009500
0.00388021 0.00486988 -0.00430491
-0.88996572 3.26173908 -4.94980712
-0.00062465 -0.00099228 -0.00004863
-0.01066154 0.01658931 -0.00433234
23.40368691 -8.81462452 -9.14539465
-0.00038107 0.00060924 -0.00011321
0.00963793 0.01467361 -0.00015305
24.00004008 -5.79679879 -8.54767787
-0.00053838 0.00014205 0.00059896
0.00428954 -0.00624808 0.00104248
0.16881005 -6.27504724 5.71101961
-0.00045941 -0.00023914 -0.00012150
-0.00475161 0.00335032 -0.01864367
0.70822674 -6.34904089 8.37304405
0.00036718 -0.00067783 -0.00086653
-0.00666531 0.00982436 0.00845540
-0.55610451 -2.67636710 -19.45058017
0.00067958 0.00025189 -0.00076264
0.03296404 -0.02382761 0.00817716
-2.98124695 -2.01666914 -20.54385301
0.00028265 -0.00007697 0.00069833
-0.00631318 0.00796572 0.00255706
2.69071774 3.00492792 -10.64511912
0.00046784 0.00094249 0.00059283
0.00645870 -0.01791995 0.01418847
2.10253588 2.00055293 -7.86598114
-0.00053093 -0.00153167 0.00037874
-0.01713579 0.00903189 0.01769110
-2.10739082 16.67706952 12.31037650
0.00060696 -0.00055195 -0.00031169
-0.03432023 0.01799430 0.00449848
-3.68128451 18.60330252 13.92291362
-0.00055398 -0.00091276 -0.00002318
0.00861257 0.00900688 0.00066878
-5.33549730 6.03306714 -11.14040109
-0.00154274 -0.00025614 0.00038391
-0.01264558 0.01955928 -0.00265827
-4.23331676 3.77798851 -12.32783427
-0.00117245 -0.00064025 -0.00062501
0.00958513 -0.01727437 -0.01274678
-7.61955223 1.84228469 -7.39504635
-0.00031643 -0.00072316 -0.00062899
-0.00619205 -0.00268858 -0.00819173
-6.33763392 3.29049859 -9.44807992
0.00037105 0.00005775 -0.00050103
0.05168295 0.01407730 -0.01327343
2.95106537 28.06222042 7.09456038
0.00006751 -0.00089425 0.00077244
-0.00187093 -0.00925398 0.00679540
1.06869616 28.63138573 9.13620216
0.00033128 0.00092170 -0.00028350
-0.00945795 0.00194299 0.00627604
10.60969623 -7.39621350 -0.79358146
0.00017561 -0.00023654 0.00053327
0.00460545 -0.00403381 0.00820565
8.47714789 -7.24966068 -2.77850184
-0.00036903 -0.00075973 0.00047382
-0.00319615 -0.00669420 -0.00056518
-7.12221451 0.30887102 6.76608843
-0.00013186 -0.00062000 0.00057372
0.02540031 -0.00141994 -0.00087050
-9.81958348 -0.12766109 7.27448607
-0.00082053 0.00107025 0.00040394
0.01115693 0.02130699 -0.02915906
21.53926006 10.58855462 10.22783386
-0.00086155 0.00110145 0.00057768
-0.00735925 0.00284356 -0.00844339
20.65253935 12.60498925 8.35205893
-0.00081815 0.00097814 -0.00015871
0.00381960 0.01353644 -0.00734411
-1.04234844 -3.43713408 -26.39725160
0.00025401 0.00091032 0.00001765
-0.02440786 0.02315413 -0.02014337
-3.71656195 -2.04816233 -26.69712218
0.00144010 0.00004195 0.00035624
-0.00891319 -0.00084774 0.00893819
-13.79561297 7.27923189 9.23022323
0.00032092 -0.00006254 0.00007079
0.00627305 -0.01014607 0.00431325
-15.46440976 7.29249869 7.11112793
0.00043125 0.00022879 0.00080241
-0.00429758 0.00042091 -0.01206908
-11.28806707 7.81720840 -2.61748460
0.00036388 0.00060786 0.00076144
-0.00029285 -0.00540776 -0.00071508
-8.52299130 8.24359735 -3.58847970
-0.00071952 0.00014141 -0.00026532
-0.01535842 -0.00929788 0.01121724
-1.01848918 -16.88142141 22.94053920
-0.00052294 0.00022281 -0.00066988
0.00725005 -0.02361827 -0.00801838
-3.50932714 -15.59708135 23.68550018
-0.00126343 -0.00065816 -0.00033605
-0.03253700 -0.00652588 0.00942479
-2.45453919 6.38681325 -7.96136549
-0.00109930 0.00027190 0.00012405
0.00073427 -0.00576914 -0.01576023
-4.42209921 6.80386804 -5.94695378
0.00060156 -0.00094037 0.00010376
-0.01497241 0.00851728 0.00673678
-21.46481834 29.72961112 3.05093078
-0.00113088 -0.00059044 -0.00040600
0.00145910 0.01519546 0.01208675
-21.11924609 31.02898382 5.75236256
-0.00072828 -0.00021080 0.00062012
0.00011625 -0.00190821 -0.02282927
6.89837470 0.02735528 6.00295352
-0.00071055 0.00091293 -0.00068411
0.00186930 -0.01462080 -0.00753478
7.43324891 2.11115204 7.76632410
-0.00083324 0.00011200 -0.00076287
0.00104559 0.01022391 0.01230150
7.11741577 12.78139956 -13.60517360
0.00008498 0.00022507 0.00170216
0.00393007 0.00386746 0.00019088
4.54350649 11.80241260 -14.98420315
0.00063512 -0.00001283 0.00011004
0.03940499 -0.00652906 0.04463998
14.30809270 3.76731853 -2.72895164
-0.00027942 0.00036051 0.00095535
0.00464159 -0.00139172 0.00574605
14.85812111 1.02088511 -1.89877269
0.00001458 0.00052824 0.00057812
0.01158054 0.02790600 0.00864897
-2.68985079 12.82583596 -0.40276468
-0.00051620 -0.00095453 0.00049605
-0.00867176 -0.00136413 0.00733753
-5.59888931 13.02794495 0.65782618
0.00009108 0.00001446 0.00017007
0.01572225 -0.00413661 -0.00773059
3.35123222 11.14317018 3.21681832
-0.00118637 0.00028119 -0.00086803
0.02497907 0.01755102 -0.01070197
6.31050883 11.51854582 2.96130639
0.00009545 -0.00114591 0.00027630
0.00961557 -0.00392212 0.00464052
25.29551721 -12.45613711 -8.36130866
0.00006136 -0.00017695 0.00015077
-0.00705575 -0.00810937 0.00590354
26.71922209 -11.70728139 -10.91464172
0.00064327 0.00012610 -0.00053752
-0.03038076 0.01263074 0.00108154
15.01511842 -3.41360032 0.12494083
0.00080499 0.00115229 0.00125197
0.02684381 0.00160302 -0.01402355
17.00554844 -5.51884090 -0.55578928
-0.00025684 0.00042440 -0.00013938
-0.00056531 0.03047085 -0.00803869
12.24043402 7.85149376 11.77706439
-0.00104497 -0.00046974 0.00041774
0.00300932 0.01072848 -0.00818291
13.46657409 9.75719598 9.72533036
-0.00018900 -0.00019971 -0.00047845
-0.00441465 -0.00754623 0.00324384
-0.05181426 -14.70482950 17.33239342
0.00010293 0.00042438 0.00056051
-0.01892135 -0.00042162 -0.00099790
1.50140655 -12.41484558 18.49387362
-0.00014706 -0.00028751 0.00059320
0.00011665 -0.02246114 -0.00995580
-3.99902117 -2.18007359 -13.07225607
-0.00014278 0.00125375 0.00042303
0.00575843 0.00555605 -0.00670219
-3.26691560 -1.30832158 -15.89202997
0.00077565 -0.00117647 -0.00050206
-0.00166069 0.00411989 0.02388480
14.74800779 -8.26280413 -10.58935298
0.00018923 -0.00024428 -0.00047188
-0.00217220 0.01539328 0.02286279
16.39386467 -6.06334196 -9.12181457
0.00020461 0.00067518 0.00110395
-0.01777507 -0.02861156 -0.00543962
6.80120114 -6.09429982 8.53280926
0.00079162 -0.00004948 -0.00084408
0.01374948 0.00792410 0.00452864
9.66113696 -6.58450805 7.65207566
-0.00052771 -0.00003255 0.00089754
-0.01118360 0.00455329 0.00504366
-21.79600230 2.00665282 21.17238528
0.00029266 -0.00003270 0.00030618
-0.00319831 -0.00341250 -0.04168260
-22.38620244 1.41922105 23.87529614
-0.00046706 0.00041721 -0.00026406
0.01937768 0.00277962 -0.00838094
26.72960173 -2.95437647 -6.66123723
0.00001154 -0.00010547 -0.00030401
0.00232307 -0.00077780 0.00215323
25.27815914 -1.53334348 -8.70401881
-0.00000596 0.00019187 -0.00060589
-0.00404926 0.01566235 -0.00477338
9.77913651 -15.65082116 -7.71428637
0.00092063 0.00068542 -0.00068401
-0.00343519 -0.01891908 0.00072240
9.34160117 -12.98857991 -6.84078592
0.00039452 0.00027111 -0.00018766
-0.00423140 0.00909277 -0.00368794
-5.97739337 -11.33499222 18.27592016
-0.00017632 -0.00049728 -0.00053160
-0.00191707 -0.00118643 -0.01277870
-7.02489391 -11.43365985 15.47436237
0.00051553 0.00025427 0.00006272
0.00037836 0.00740476 0.00215232
8.35559914 1.38398420 -29.41450428
-0.00050336 0.00040094 -0.00047941
0.00749811 -0.00036697 -0.00012264
6.09774451 3.04771158 -29.93047207
-0.00077496 -0.00152109 -0.00050256
-0.00380118 -0.00243867 -0.00843081
12.74035961 15.17410191 14.61769732
0.00050773 -0.00120350 -0.00080745
-0.00420828 0.00047401 -0.00307103
11.22022017 15.92110352 17.24710065
0.00000359 0.00034361 -0.00006625
-0.00391963 -0.00584297 -0.04347615
29.26861721 4.88688174 -4.53517768
0.00023397 0.00042192 -0.00016553
0.00374203 -0.00510920 -0.00840757
26.97153374 6.58770382 -3.87784928
-0.00036071 0.00101014 0.00033998
-0.00241698 0.00337471 0.00074919
-9.94532513 4.88624006 6.60069855
-0.00001786 0.00015151 -0.00023310
-0.00097127 0.01246736 0.00206545
-8.76428726 13.34425496 2.59475196
-0.00011049 0.00006127 -0.00000141
-0.00509035 -0.00130203 0.00113321
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09565318
0.32661741
435.20132485
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3514182841 (a.u.)
total exchange computation time: 2.7306458950 s
-154.2149065399
-931.42306795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3515120597 (a.u.)
total exchange computation time: 2.7290029526 s
-154.2154727894
Anderson extrapolation: theta=1.4190047160 (1.4190047160)
-931.42328440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3515982332 (a.u.)
total exchange computation time: 2.7285499573 s
-154.2166345912
Anderson extrapolation: theta=0.0790049198 (0.0790049198)
-931.42343013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3515644666 (a.u.)
total exchange computation time: 2.7312090397 s
-154.2170671879
Anderson extrapolation: theta=2.4300449083 (2.0000000000)
-931.42344098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3514844689 (a.u.)
total exchange computation time: 2.7284588814 s
-154.2179737804
Anderson extrapolation: theta=0.4544227769 (0.4544227769)
-931.42345687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3514538965 (a.u.)
total exchange computation time: 2.7311589718 s
-154.2182783234
Anderson extrapolation: theta=0.7930977398 (0.7930977398)
-931.42346196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3514467301 (a.u.)
total exchange computation time: 2.7328968048 s
-154.2183337681
Anderson extrapolation: theta=0.5777873251 (0.5777873251)
-931.42346508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3514603754 (a.u.)
total exchange computation time: 2.7351200581 s
-154.2181899580
Anderson extrapolation: theta=0.6276613088 (0.6276613088)
-931.42346640
-72.011826 67.868629 97.963854
559.156416 1031.391531 -410.134975
487.144590 1099.260159 -312.171121
1242.229270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1339751217
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3514819059 (a.u.)
total exchange computation time: 2.7300579548 s
678.56248917
-1082.93909568
89.89108505
-389.76448611
-174.82197747
77.87328673
551.60419304
0.00000000
-931.42346695
4.06062181 -31.15825531 -2.22394774
0.00007457 -0.00050679 0.00006210
-0.02211692 0.00971278 -0.00635078
-11.47710874 -1.59107038 -9.28406765
-0.00005182 0.00033641 -0.00012465
-0.03203559 -0.03092828 -0.01477125
-37.51744332 2.41451010 0.21910095
-0.00008499 0.00002593 0.00003115
0.01833957 0.02055916 -0.02904400
-11.72013379 -4.18651883 3.94956742
0.00006275 -0.00009152 0.00012706
0.01278254 -0.00749039 -0.00767997
4.14859298 -4.01944453 9.03869432
-0.00019841 -0.00004542 -0.00038205
0.00473438 0.03057349 -0.00534674
-32.39352691 -0.34690749 -0.22657520
-0.00054249 0.00009970 0.00035222
-0.01694211 0.02246989 0.03212723
14.36398135 12.50960904 -13.67364783
0.00000398 -0.00016627 0.00042776
0.02077792 -0.00198186 0.04147990
-7.73028693 6.07015024 2.66276741
-0.00003532 -0.00006494 -0.00006552
0.00483990 -0.00769658 -0.00110113
7.42192385 12.36333784 -5.98230214
-0.00027531 -0.00029820 -0.00025355
-0.01169613 0.00512757 -0.01922227
8.81785311 9.93112525 -19.00621769
0.00001112 0.00004053 -0.00026214
0.00605404 -0.00434424 -0.00653768
23.18083810 17.32561723 -2.24798470
-0.00018071 0.00006175 -0.00014403
0.02200277 0.00900472 -0.01268781
2.10796766 16.81844202 -19.63855846
-0.00000443 -0.00009159 -0.00005602
0.01884278 0.00292459 0.05092692
13.98919960 -1.03220561 -5.75248786
-0.00011162 0.00028935 -0.00008742
0.01011530 -0.00174073 0.01051096
-16.04410897 -1.35596689 3.25242527
0.00002651 0.00003803 0.00004128
-0.03421167 -0.03434256 -0.02723765
-16.36404515 -2.09457433 18.83524681
0.00054353 -0.00036157 -0.00017275
0.00785695 -0.00890770 0.03785190
0.46554331 2.07942776 -4.81425630
0.00019839 0.00021786 0.00025881
0.00187090 -0.02204157 0.00334184
22.74086325 -7.10881557 -8.82045858
0.00024021 -0.00002488 0.00003653
-0.02572638 -0.00255904 -0.00367628
-0.76338214 -6.31139105 7.26944384
-0.00006285 -0.00000349 0.00011771
0.01098633 -0.01097087 0.00888821
-1.73459282 -1.36589075 -19.33033120
-0.00011763 -0.00000704 -0.00004899
-0.02950124 0.01097945 -0.00506345
3.19391373 1.78056402 -9.29166973
-0.00005642 -0.00028511 0.00002311
0.00600157 0.01473122 -0.02654544
-3.79123842 17.73563349 12.30974790
0.00026560 -0.00001208 0.00007063
0.03933791 -0.02033585 -0.00378554
-3.82110655 5.04710212 -11.12015153
0.00022110 0.00020037 -0.00004521
-0.00347809 0.00255715 -0.00617281
-7.91929191 2.80685016 -8.94201746
0.00006492 -0.00026893 0.00021523
-0.04459520 -0.00793595 0.01715413
2.40484501 27.47487306 8.75752964
0.00024103 0.00007839 0.00019236
-0.00066420 0.00223853 -0.00284738
9.61894852 -6.24032131 -1.78983272
-0.00033044 0.00008226 0.00004902
-0.00237132 0.00630879 -0.00250829
-8.70803178 0.81818295 6.03295829
0.00007740 -0.00004645 0.00014156
-0.03401515 -0.02813188 0.03405613
20.40501743 10.85346204 8.78558650
0.00019136 -0.00001117 -0.00011679
0.00566985 -0.00880585 0.00899328
-2.07501554 -2.14727499 -27.46569372
0.00022852 -0.00013538 -0.00029024
0.02883946 -0.02640850 0.01124152
-14.28504789 6.14253650 7.87531257
0.00011546 -0.00002608 0.00029503
0.00777078 0.00695560 0.00747321
-9.57579229 7.26581239 -2.31123853
-0.00013660 -0.00015247 0.00050569
0.00390154 0.00787021 -0.00634902
-1.78810437 -15.31668157 23.37868374
0.00028464 0.00049397 -0.00039725
0.01057976 0.02365210 -0.00058558
-2.70607085 6.32970236 -6.17695272
-0.00009545 0.00000421 0.00022301
0.01901153 -0.01049069 0.00895753
-20.21574308 30.59659229 4.16884600
-0.00016722 -0.00072258 -0.00008266
-0.01372816 -0.00176085 0.02029927
7.68434498 0.31995370 7.63852767
0.00022002 0.00029099 -0.00013446
-0.00235574 0.00817160 -0.00140569
5.75332376 11.49661612 -13.47627924
-0.00002136 -0.00029145 0.00013595
-0.04121801 -0.02248838 -0.04936458
15.54234244 2.75799019 -1.79008369
0.00005300 -0.00008036 0.00019550
-0.00562690 -0.00573450 -0.00532660
-4.42142312 13.25917280 -0.79215120
-0.00010799 -0.00032976 0.00006234
-0.00506795 0.00115361 -0.00592296
4.73381813 12.45947582 2.80261412
0.00016672 0.00027967 -0.00055027
-0.03956068 -0.01140221 0.00631207
25.06884439 -11.53419262 -9.91609005
0.00000131 0.00016552 -0.00009475
0.02256891 -0.01180359 0.00507735
16.71444634 -3.61790156 -0.68616355
0.00029401 0.00015780 -0.00020707
-0.02154294 -0.02607085 0.02208636
13.19078034 7.97630156 10.18207133
0.00047163 -0.00003634 0.00012853
0.00451390 -0.01646423 0.00207646
1.61765658 -14.04879869 17.58510176
0.00019977 -0.00012071 -0.00017002
0.03086762 0.03269800 0.01320940
-3.85451966 -0.71903518 -14.19834120
0.00038768 -0.00002369 0.00023442
-0.00365873 -0.00281664 -0.02736666
15.02542672 -7.54907605 -8.86545534
-0.00013196 0.00019840 0.00009100
0.01961629 -0.00366765 -0.02383422
8.38356485 -7.04330693 8.90141501
-0.00007659 -0.00004977 0.00012092
0.00900681 0.01440107 -0.00433037
-21.11676667 2.30232552 22.78183804
0.00012163 0.00008566 0.00014154
-0.01131282 0.00110905 0.04829293
25.68907136 -3.21340304 -8.14437347
0.00006106 0.00017513 -0.00016217
0.00547739 -0.00569265 0.00504047
9.88688491 -13.94735971 -8.30210817
0.00004453 0.00004496 -0.00032985
0.00009857 0.00899919 0.00210889
-6.73478719 -12.43127762 16.97796980
0.00004401 0.00015328 0.00008422
0.01091143 0.00551412 0.00279025
7.82655381 3.12324966 -29.32867707
-0.00033945 -0.00035904 0.00010759
-0.00648577 0.00207257 -0.00053327
10.98634852 15.51412712 15.37187784
0.00022716 0.00039964 0.00016374
-0.00107502 0.01137966 0.04036248
28.71561265 6.22511994 -3.41865126
0.00014151 0.00015351 -0.00024845
-0.00434437 0.00921825 0.01565741
5.33016321 -31.62232761 -3.45247340
-0.00002348 -0.00085758 -0.00017380
0.01119732 -0.00365782 -0.00158552
4.62878087 -31.24367347 -0.48095154
0.00076521 0.00004448 0.00014632
0.00355870 -0.01041768 0.00505573
-11.97954708 -3.39117671 -8.97834073
-0.00046669 0.00055664 -0.00075726
0.01025449 0.01929321 -0.00056610
-12.47045665 -1.14119484 -10.78532604
0.00052598 0.00054602 0.00019235
0.00927628 0.00224964 0.01021186
-38.98030048 2.02258098 1.15483785
0.00012218 0.00035350 0.00055421
-0.01917507 -0.00068592 0.01129963
-37.94014301 3.85052771 -0.93058647
0.00025136 -0.00078388 0.00064357
0.00342922 -0.01058135 0.01110371
-10.63941070 -5.67355760 3.36717832
-0.00073097 0.00050225 -0.00024635
-0.01228191 0.02773907 0.00811823
-10.75561154 -2.61150587 3.78429991
-0.00019295 -0.00043729 0.00058398
0.00057326 -0.01693628 0.00320024
4.50832588 -2.28340349 8.33397120
-0.00078443 -0.00030128 0.00011624
-0.00387108 -0.03362042 0.01383430
4.01813911 -3.73576849 10.88569292
-0.00113205 -0.00062642 -0.00032728
0.00572966 -0.00495531 -0.01479753
-33.86659423 -1.41219143 -0.12557390
-0.00108481 0.00057583 0.00087342
-0.00129812 -0.00248852 -0.00491548
-32.92374222 1.10025068 0.92178920
-0.00061571 0.00088726 -0.00020756
0.01289729 -0.02755044 -0.02944158
13.87054545 12.72386209 -15.35869354
-0.00142462 0.00053600 -0.00053510
-0.00413975 0.00657510 -0.03826597
16.20313308 12.39762935 -13.58541009
-0.00130292 0.00071400 -0.00075440
-0.00607383 -0.00270774 -0.01037842
-8.53820162 7.36501169 1.69743988
0.00063892 0.00035176 0.00042262
-0.00638427 0.01499686 -0.00350838
-7.39326143 4.93046314 1.25816952
-0.00004811 0.00102628 0.00110682
0.00270933 -0.01189228 0.00309973
6.07817883 12.38580029 -7.28940107
0.00032114 0.00023852 -0.00076889
0.01912943 0.00005233 0.01443594
8.83962052 13.50808412 -6.65031671
-0.00056697 -0.00085285 0.00040239
-0.00594366 -0.00215526 0.00491321
8.47133095 8.63529676 -20.25900552
0.00019441 -0.00022359 0.00082117
0.00781473 0.00569195 0.00160921
10.20495422 11.04854472 -19.58884351
0.00055645 -0.00091690 0.00081432
-0.00525788 -0.01298580 0.00254676
24.06681605 15.76667791 -2.74057621
0.00070199 -0.00018520 -0.00041485
-0.00559722 -0.01101636 0.00144807
24.62169210 18.46512420 -2.57034130
-0.00111496 0.00087903 -0.00100011
-0.00891978 0.00275206 0.00067757
1.84496187 16.91585428 -21.36269251
-0.00025334 0.00039147 -0.00017273
-0.02204232 0.00526943 -0.05342378
3.53786532 15.66092569 -19.58996275
-0.00037536 0.00075284 -0.00006191
-0.00072368 -0.00805433 0.01447312
12.56349128 -1.25724082 -6.92439022
0.00062934 -0.00139249 -0.00100666
0.00376214 0.00330968 0.00689337
13.42275692 -0.88404844 -4.01937240
0.00009071 0.00007948 -0.00051751
-0.00998364 -0.00646879 -0.01162513
-17.64824504 -2.11836465 2.52956930
-0.00010416 0.00043788 0.00050722
0.02691686 0.01420142 0.02299823
-14.80702767 -2.69781433 2.89310813
-0.00096332 -0.00041482 -0.00105256
0.00011028 0.00649496 0.01202865
-16.74189932 -0.71010954 20.05971406
-0.00009735 0.00015387 -0.00058483
0.01241742 -0.00861985 -0.01682866
-15.19384622 -3.23791305 19.80501559
0.00040117 0.00024895 0.00017058
-0.01733790 0.01912350 -0.01900281
-0.48699093 0.43629764 -4.88529239
-0.00030250 -0.00010020 -0.00011205
0.00617334 0.00659763 -0.00404425
-0.89966217 3.24736317 -4.95066930
-0.00066877 -0.00092091 -0.00006666
-0.01093342 0.01834885 -0.00449466
23.39826619 -8.80503625 -9.14709754
-0.00033678 0.00065935 -0.00011525
0.01204342 0.00985350 -0.00084441
23.99209586 -5.79485953 -8.53866149
-0.00051660 0.00011941 0.00060361
0.00636855 -0.00483118 0.00123050
0.16177336 -6.27853164 5.70862574
-0.00047969 -0.00022541 -0.00019808
-0.00517882 0.00336733 -0.01883847
0.71353015 -6.35890733 8.36030514
0.00034260 -0.00063754 -0.00082886
-0.00536466 0.00989804 0.00998646
-0.54490072 -2.67331892 -19.46176923
0.00080858 0.00016139 -0.00072880
0.03018253 -0.02047154 0.00838677
-2.97720070 -2.01757958 -20.53329977
0.00024997 -0.00004780 0.00070203
-0.00968186 0.00631506 -0.00074302
2.69793325 3.01851622 -10.63579195
0.00049375 0.00086716 0.00065242
0.00622414 -0.01895543 0.01498125
2.09404690 1.97785469 -7.85975796
-0.00059665 -0.00149405 0.00044513
-0.01503666 0.00938024 0.01480988
-2.09933808 16.66934174 12.30583898
0.00046390 -0.00047582 -0.00029184
-0.03570932 0.01926807 0.00521922
-3.68933031 18.58988714 13.92258645
-0.00051681 -0.00087182 -0.00001365
0.00958302 0.01103049 0.00399471
-5.35902597 6.02982436 -11.13472396
-0.00157778 -0.00018560 0.00037351
-0.00450486 0.01496925 -0.00243048
-4.25060978 3.76785537 -12.33759998
-0.00112725 -0.00069572 -0.00066249
0.01254038 -0.00987767 -0.00560289
-7.62448850 1.83135486 -7.40473216
-0.00033932 -0.00073773 -0.00065575
-0.00501038 -0.00444134 -0.00490789
-6.33048442 3.29179625 -9.45600217
0.00056889 0.00011029 -0.00054968
0.04516012 0.01163827 -0.01054012
2.95202071 28.04852305 7.10635518
0.00006438 -0.00092794 0.00078791
0.00033660 -0.00723465 0.00077846
1.07337549 28.64527076 9.13214205
0.00029748 0.00092527 -0.00025853
-0.00708621 -0.00019477 0.00594665
10.61247152 -7.39988524 -0.78533091
0.00018829 -0.00024508 0.00056036
0.00159999 -0.00014723 0.00505533
8.47151443 -7.26126176 -2.77141185
-0.00037944 -0.00078391 0.00047343
-0.00189658 -0.00514195 0.00037611
-7.12341412 0.29952744 6.77466751
-0.00003088 -0.00062520 0.00056909
0.02403367 -0.00112331 -0.00139415
-9.83154961 -0.11095439 7.27965164
-0.00077348 0.00115686 0.00028398
0.01187843 0.02108939 -0.02956272
21.52611133 10.60516357 10.23624032
-0.00088870 0.00111192 0.00054576
-0.00593321 0.00228070 -0.00718351
20.64038421 12.62007612 8.34945321
-0.00080391 0.00102090 -0.00018580
0.00314721 0.00739753 -0.00591406
-1.03928625 -3.42276973 -26.39760407
0.00015719 0.00100037 -0.00006320
-0.02298442 0.02092569 -0.01943618
-3.69523359 -2.04755906 -26.69150466
0.00139067 0.00003998 0.00039778
-0.01528351 -0.00011573 0.01139420
-13.79060695 7.27798296 9.23141722
0.00034758 -0.00010338 0.00009049
0.00677754 -0.00984848 0.00533313
-15.45807263 7.29594344 7.12279422
0.00041020 0.00023277 0.00075060
-0.00600683 0.00152592 -0.01328967
-11.28261790 7.82616060 -2.60608489
0.00035717 0.00058614 0.00075884
-0.00299179 -0.00522690 -0.00055821
-8.53425471 8.24543365 -3.59211575
-0.00078132 0.00010130 -0.00021668
-0.01489482 -0.01033906 0.01259336
-1.02611118 -16.87880297 22.93024534
-0.00049175 0.00012665 -0.00070305
0.00801863 -0.02345437 -0.00821821
-3.52927560 -15.60715375 23.68074829
-0.00136488 -0.00067838 -0.00030251
-0.01712505 -0.00337222 0.00698976
-2.47100618 6.39071503 -7.95998765
-0.00109435 0.00024795 0.00005939
0.00169044 -0.00595543 -0.01589040
-4.41353462 6.79002343 -5.94519099
0.00052501 -0.00090212 0.00013501
-0.02249765 0.01020917 0.00856239
-21.48173688 29.72122020 3.04521119
-0.00111962 -0.00052485 -0.00035196
0.00405447 0.01690942 0.01436587
-21.13016668 31.02576329 5.76096477
-0.00072165 -0.00022124 0.00051683
0.00312671 -0.00320004 -0.02773093
6.88777368 0.04060116 5.99246103
-0.00069730 0.00085195 -0.00070512
0.00461923 -0.01522960 -0.00274934
7.42078240 2.11314535 7.75525805
-0.00082781 0.00015548 -0.00071020
0.00161009 0.01105712 0.01347788
7.11881093 12.78489413 -13.57963535
0.00009813 0.00023830 0.00170175
0.00250797 0.00260930 -0.00039020
4.55424078 11.80202014 -14.98118463
0.00079295 -0.00003896 0.00028919
0.03785634 -0.00626610 0.04305523
14.30404371 3.77268354 -2.71444527
-0.00025975 0.00035385 0.00097894
0.00498310 -0.00187066 0.00580226
14.85869464 1.02966378 -1.88983580
0.00005863 0.00063413 0.00061231
0.00998355 0.02393135 0.00808663
-2.69785946 12.81147621 -0.39509914
-0.00054886 -0.00096031 0.00052571
-0.00731811 -0.00146732 0.00718326
-5.59704139 13.02803510 0.66014040
0.00015396 -0.00000249 0.00013864
0.01505774 -0.00415875 -0.00765790
3.33420212 11.14792584 3.20346995
-0.00107796 0.00035729 -0.00091245
0.02808726 0.01969956 -0.01104445
6.31223521 11.50123699 2.96559303
0.00012682 -0.00115632 0.00029390
0.00574042 -0.00117270 0.00397840
25.29622134 -12.45903984 -8.35886621
0.00003185 -0.00020664 0.00016922
-0.00738924 -0.00642304 0.00312837
26.72794015 -11.70500279 -10.92267132
0.00051327 0.00017818 -0.00053022
-0.03325415 0.01286237 0.00249002
15.02801585 -3.39626684 0.14329065
0.00091657 0.00115760 0.00119226
0.02777322 0.00099467 -0.01520492
17.00167846 -5.51154112 -0.55812631
-0.00025859 0.00054514 -0.00017183
-0.00028715 0.02862895 -0.00784529
12.22485162 7.84477642 11.78307970
-0.00102541 -0.00042320 0.00037322
0.00656709 0.01205368 -0.01360740
13.46360377 9.75396906 9.71825296
-0.00020657 -0.00022873 -0.00046429
-0.00418620 -0.00665919 0.00368794
-0.05085008 -14.69847674 17.34077047
0.00002365 0.00041991 0.00055521
-0.01988602 -0.00176502 -0.00159613
1.49920428 -12.41984655 18.50246656
-0.00014485 -0.00038088 0.00055099
0.00096245 -0.02324269 -0.01070663
-4.00098637 -2.16109711 -13.06611595
-0.00011985 0.00126588 0.00040287
0.00546495 0.00038408 -0.00316891
-3.25533170 -1.32584237 -15.89882894
0.00076444 -0.00115482 -0.00039246
-0.00382978 0.00647677 0.02976523
14.75077962 -8.26599662 -10.59573061
0.00018186 -0.00017800 -0.00037238
-0.00143573 0.01704912 0.02584297
16.39638917 -6.05409095 -9.10542202
0.00013040 0.00055585 0.00107885
-0.01855419 -0.02980562 -0.00684482
6.81349671 -6.09479913 8.52028678
0.00084112 -0.00001469 -0.00082513
0.01048122 0.00910305 0.00475150
9.65287859 -6.58485685 7.66569338
-0.00056295 -0.00001217 0.00090961
-0.00606563 0.00542730 0.00086077
-21.79171047 2.00605778 21.17570073
0.00027932 -0.00004669 0.00013306
-0.00333009 -0.00343538 -0.04306105
-22.39261451 1.42556439 23.87107837
-0.00038736 0.00042857 -0.00029719
0.01963281 0.00277840 -0.00783342
26.72984607 -2.95598233 -6.66573137
0.00002276 -0.00010756 -0.00029331
0.00316673 -0.00024686 0.00308369
25.27794562 -1.52998548 -8.71325346
-0.00002093 0.00025306 -0.00062392
-0.00327912 0.01428831 -0.00405120
9.79284062 -15.64111965 -7.72452435
0.00090624 0.00059875 -0.00067666
-0.00360652 -0.02350282 0.00287412
9.34738927 -12.98423467 -6.84371388
0.00037766 0.00030674 -0.00020428
-0.00402184 0.00835055 -0.00444618
-5.98009698 -11.34248782 18.26755461
-0.00017905 -0.00049493 -0.00057447
0.00058029 0.00234017 -0.00820791
-7.01714937 -11.42961891 15.47536907
0.00051688 0.00028404 0.00007134
0.00028311 0.00716678 0.00206670
8.34827857 1.38998712 -29.42169920
-0.00046791 0.00038786 -0.00047923
0.00985300 -0.00603575 0.00020946
6.08600369 3.02482048 -29.93826886
-0.00078232 -0.00152857 -0.00053321
0.00019692 -0.00122226 -0.00656974
12.74784662 15.15606389 14.60549148
0.00048537 -0.00119817 -0.00081559
-0.00673793 0.00213472 -0.00091286
11.22015390 15.92607859 17.24477460
-0.00001094 0.00032012 -0.00024133
-0.00319495 -0.00565311 -0.04222292
29.27224145 4.89305404 -4.53791823
0.00024813 0.00039883 -0.00020221
0.00318794 -0.00619446 -0.00954683
26.96604903 6.60295931 -3.87272658
-0.00036305 0.00102071 0.00034352
0.00127203 0.00180048 0.00098286
-9.94559557 4.88854611 6.59720764
-0.00001820 0.00015594 -0.00023234
-0.00092810 0.01229391 0.00218005
-8.76595348 13.34517179 2.59473270
-0.00011167 0.00006094 -0.00000112
-0.00504502 -0.00155510 0.00144188
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09490431
0.32856264
437.79324628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3535617618 (a.u.)
total exchange computation time: 2.6868221760 s
-154.2166502579
-931.42402864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3535883663 (a.u.)
total exchange computation time: 2.6871340275 s
-154.2173192883
Anderson extrapolation: theta=1.4223091208 (1.4223091208)
-931.42422697
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3535078867 (a.u.)
total exchange computation time: 2.6855850220 s
-154.2189207915
Anderson extrapolation: theta=0.0815617121 (0.0815617121)
-931.42435867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3534024096 (a.u.)
total exchange computation time: 2.6864020824 s
-154.2196192506
Anderson extrapolation: theta=2.4895237398 (2.0000000000)
-931.42436799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3531507677 (a.u.)
total exchange computation time: 2.6878988743 s
-154.2211546890
Anderson extrapolation: theta=0.4813714564 (0.4813714564)
-931.42438075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3530229166 (a.u.)
total exchange computation time: 2.6851389408 s
-154.2218161220
Anderson extrapolation: theta=0.7142827170 (0.7142827170)
-931.42438438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3529453386 (a.u.)
total exchange computation time: 2.6877541542 s
-154.2221027052
Anderson extrapolation: theta=0.6049397916 (0.6049397916)
-931.42438615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3529175672 (a.u.)
total exchange computation time: 2.6859469414 s
-154.2220868057
Anderson extrapolation: theta=0.5681201335 (0.5681201335)
-931.42438684
-72.083409 67.901883 97.897741
559.115381 1031.395127 -410.119749
487.031972 1099.297010 -312.222008
1242.230510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3529178644 (a.u.)
total exchange computation time: 2.6851048470 s
678.57958249
-1082.98457445
89.89194211
-389.73263355
-174.82578584
77.90121313
551.60419304
0.00000000
-931.42438710
4.06165497 -31.16581974 -2.22304069
0.00006361 -0.00050186 0.00005894
-0.02048480 0.00946687 -0.00593595
-11.47800967 -1.58614350 -9.28599436
-0.00006775 0.00032050 -0.00013166
-0.02991495 -0.03095841 -0.01250574
-37.51864739 2.41497836 0.21945617
-0.00007537 0.00003515 0.00001738
0.01907616 0.01530078 -0.02449531
-11.71914324 -4.18792058 3.95144376
0.00006823 -0.00009536 0.00012351
0.00852910 -0.00741906 -0.00615422
4.14563515 -4.02000784 9.03294294
-0.00019623 -0.00003052 -0.00038446
0.00373735 0.02734632 -0.00401183
-32.40172954 -0.34532534 -0.22116797
-0.00055156 0.00011136 0.00036889
-0.01832769 0.02288967 0.03269831
14.36412126 12.50710728 -13.66707138
0.00001099 -0.00016669 0.00044560
0.00646277 0.00037803 0.02786192
-7.73079811 6.06914643 2.66178035
-0.00003315 -0.00006732 -0.00006362
0.00360930 -0.00156101 0.00849831
7.41774915 12.35888457 -5.98617947
-0.00028165 -0.00029605 -0.00026318
-0.01296793 0.00323840 -0.01823750
8.81804328 9.93171646 -19.01017503
0.00001377 0.00003851 -0.00026428
0.00425513 -0.00351107 -0.00179061
23.17821230 17.32657817 -2.25019409
-0.00016899 0.00006545 -0.00015082
0.02356893 0.00538892 -0.01369688
2.10797387 16.81707939 -19.63920234
0.00000390 -0.00008906 -0.00003057
0.01356294 0.00692215 0.04804713
13.98756436 -1.02787213 -5.75375856
-0.00010612 0.00028827 -0.00008325
0.01126584 -0.00245058 0.00567943
-16.04384335 -1.35552888 3.25293940
0.00000901 0.00002052 0.00002734
-0.03384376 -0.03374189 -0.02697500
-16.35586191 -2.10003228 18.83280158
0.00054709 -0.00036546 -0.00015338
0.00600539 -0.00619830 0.03747823
0.46852643 2.08261058 -4.81036121
0.00019873 0.00020575 0.00026043
-0.00057824 -0.02503918 0.00295301
22.74436709 -7.10919866 -8.81992482
0.00022584 -0.00002520 0.00003477
-0.03014302 0.00131523 -0.00315080
-0.76428251 -6.31148574 7.27124383
-0.00005740 -0.00000914 0.00012185
0.01021773 -0.01099304 0.00720039
-1.73647110 -1.36595398 -19.33108554
-0.00013093 -0.00000205 -0.00005077
-0.02221872 0.00840679 -0.00188354
3.19309058 1.77634419 -9.29142555
-0.00005393 -0.00027734 0.00001026
0.00368020 0.01547907 -0.02339654
-3.78710267 17.73537385 12.31079270
0.00028580 -0.00002323 0.00006787
0.03919440 -0.02300683 -0.00695566
-3.81780343 5.05011759 -11.12085351
0.00021643 0.00020105 -0.00005020
-0.01468638 0.00006045 -0.01321171
-7.91849012 2.80278555 -8.93872284
0.00004380 -0.00027171 0.00022232
-0.03751998 -0.00286911 0.01042801
2.40845791 27.47605754 8.76040407
0.00023947 0.00007959 0.00019268
-0.00539850 0.00244312 0.00410789
9.61398277 -6.23906305 -1.78910711
-0.00033124 0.00008413 0.00004832
-0.00075003 0.00097393 -0.00020248
-8.70700204 0.81737773 6.03521302
0.00006036 -0.00006084 0.00015923
-0.03222957 -0.02783032 0.03464755
20.40790963 10.85326050 8.78386937
0.00019409 -0.00001400 -0.00011295
0.00496330 -0.00219713 0.00592948
-2.07147647 -2.14940759 -27.47000391
0.00024430 -0.00014843 -0.00028532
0.03252140 -0.02434840 0.00787027
-14.28328606 6.14217215 7.87976682
0.00011966 -0.00002281 0.00029884
0.00857354 0.00576488 0.00735953
-9.57782623 7.26355567 -2.30367768
-0.00013395 -0.00014820 0.00050203
0.00640760 0.00873978 -0.00789730
-1.78379401 -15.30918084 23.37272276
0.00028619 0.00050506 -0.00039700
-0.00455228 0.01947352 0.00156957
-2.70742932 6.32972500 -6.17357301
-0.00008412 -0.00000155 0.00022707
0.02504527 -0.01188276 0.00683817
-20.21830439 30.58574686 4.16768441
-0.00017548 -0.00072344 -0.00007169
-0.01836660 -0.00159181 0.02235091
7.68763625 0.32435014 7.63650531
0.00021804 0.00029519 -0.00013663
-0.00537561 0.00813075 -0.00702140
5.75284435 11.49215769 -13.47443037
-0.00004139 -0.00030274 0.00011130
-0.03666516 -0.02143468 -0.04651334
15.54311580 2.75676266 -1.78717171
0.00005051 -0.00008206 0.00019283
-0.00405647 -0.00088135 -0.00504448
-4.42306245 13.25423092 -0.79123896
-0.00011069 -0.00032909 0.00005924
-0.00545700 0.00142932 -0.00614255
4.73616631 12.46362687 2.79438436
0.00014683 0.00027250 -0.00054667
-0.03778260 -0.01648691 0.00768653
25.06895115 -11.53175536 -9.91749178
0.00001350 0.00015902 -0.00009170
0.02483072 -0.01347791 0.00680274
16.71877344 -3.61563510 -0.68918443
0.00028271 0.00014520 -0.00019555
-0.02243114 -0.02293528 0.02271764
13.19787220 7.97569300 10.18400728
0.00047312 -0.00004538 0.00013079
0.00126538 -0.01869068 0.00671356
1.62077222 -14.05048323 17.58260249
0.00021551 -0.00010361 -0.00016301
0.03034243 0.03380800 0.01403740
-3.84871850 -0.71940143 -14.19493044
0.00038634 -0.00002430 0.00021808
-0.00158474 0.00046813 -0.03618745
15.02352292 -7.54611426 -8.86418221
-0.00012187 0.00019627 0.00007833
0.01965882 -0.00461677 -0.02544462
8.38245078 -7.04399788 8.90321218
-0.00007252 -0.00004296 0.00011986
0.00681235 0.01206482 0.00020397
-21.11498589 2.30361475 22.78414736
0.00011571 0.00008622 0.00016610
-0.01168498 0.00107312 0.04724294
25.69000832 -3.21079807 -8.14678658
0.00006344 0.00017246 -0.00016002
0.00381363 -0.00468054 0.00330616
9.88755320 -13.94665067 -8.30704785
0.00004460 0.00005101 -0.00032911
0.00019305 0.01454762 0.00078011
-6.73408489 -12.42895717 16.97924386
0.00004879 0.00015517 0.00008442
0.00765215 0.00182183 -0.00202912
7.82143700 3.11787201 -29.32706524
-0.00034447 -0.00035689 0.00010688
-0.01301295 0.00628191 -0.00224076
10.98975172 15.52016561 15.37448963
0.00022695 0.00040498 0.00018340
0.00027231 0.00940115 0.03608056
28.71771848 6.22745811 -3.42231764
0.00013850 0.00015884 -0.00024025
-0.00735421 0.01153580 0.01623530
5.33015414 -31.63530340 -3.45512893
0.00001977 -0.00087137 -0.00017842
0.00997569 -0.00309151 -0.00067626
4.64036812 -31.24332555 -0.47860186
0.00077806 0.00000208 0.00016404
0.00272955 -0.01033595 0.00362096
-11.98623326 -3.38223584 -8.98971700
-0.00042510 0.00063229 -0.00075800
0.01010677 0.01773364 0.00020222
-12.46228263 -1.13293564 -10.78212781
0.00056002 0.00055785 0.00022770
0.00738466 0.00354055 0.00708996
-38.97905530 2.02786239 1.16349721
0.00004540 0.00035106 0.00059926
-0.01840924 -0.00050444 0.01075235
-37.93626749 3.83844521 -0.92059265
0.00026227 -0.00081675 0.00068057
0.00191160 -0.00550477 0.00700839
-10.65075168 -5.66517381 3.36373187
-0.00077638 0.00060960 -0.00021513
-0.00994259 0.02481074 0.00716519
-10.75848828 -2.61858420 3.79315772
-0.00018718 -0.00050044 0.00059614
0.00225320 -0.01397460 0.00275155
4.49644088 -2.28895294 8.33613866
-0.00079875 -0.00043235 0.00017022
-0.00314152 -0.03053888 0.01259185
4.00133397 -3.74531667 10.88033026
-0.00110796 -0.00064622 -0.00038807
0.00606349 -0.00473782 -0.01495673
-33.88290623 -1.40363024 -0.11262328
-0.00108728 0.00056714 0.00085278
0.00009374 -0.00176568 -0.00518529
-32.93258270 1.11271541 0.91777356
-0.00056226 0.00077268 -0.00032849
0.01326869 -0.02853967 -0.02975349
13.84904922 12.73210358 -15.36789263
-0.00143432 0.00055997 -0.00066564
-0.00060379 0.00515890 -0.02563535
16.18340313 12.40825636 -13.59704415
-0.00130616 0.00070143 -0.00079575
0.00448959 -0.00344431 -0.00985943
-8.52881340 7.37074765 1.70367164
0.00061126 0.00041582 0.00040646
-0.00715700 0.01635811 -0.00440171
-7.39390000 4.94549289 1.27486685
-0.00003311 0.00096267 0.00110173
0.00463154 -0.01924235 -0.00559113
6.08358206 12.38937962 -7.30049207
0.00039721 0.00023803 -0.00071045
0.01810758 -0.00028769 0.01417090
8.83093383 13.49522536 -6.64413037
-0.00058632 -0.00085697 0.00042065
-0.00352753 0.00013586 0.00402807
8.47448650 8.63211738 -20.24663862
0.00022524 -0.00020650 0.00082116
0.00727912 0.00267235 -0.00161550
10.21313988 11.03439323 -19.57655067
0.00053920 -0.00096574 0.00082168
-0.00318767 -0.01092071 0.00105382
24.07717443 15.76356232 -2.74675457
0.00067563 -0.00022253 -0.00040606
-0.00730543 -0.00725476 0.00285474
24.60469436 18.47839399 -2.58532217
-0.00114983 0.00088930 -0.00099672
-0.00815158 0.00227637 0.00098071
1.84048628 16.92188782 -21.36692055
-0.00034199 0.00041236 -0.00038555
-0.02134875 0.00495783 -0.05075110
3.53221279 15.67197146 -19.59044797
-0.00036907 0.00071259 -0.00000308
0.00379980 -0.01164931 0.01432733
12.57304667 -1.27802668 -6.93927893
0.00064598 -0.00137779 -0.00097495
0.00438320 0.00388369 0.00863106
13.42381157 -0.88305446 -4.02749134
0.00004666 0.00005337 -0.00055825
-0.01157768 -0.00631055 -0.00831725
-17.64898266 -2.11136122 2.53788232
0.00000213 0.00049534 0.00059953
0.02511459 0.01392384 0.02218695
-14.82147407 -2.70383764 2.87768835
-0.00096024 -0.00038844 -0.00100248
0.00139659 0.00642137 0.01248743
-16.74297903 -0.70806566 20.05042597
-0.00004561 0.00011611 -0.00065497
0.01290820 -0.00986478 -0.01750800
-15.18835990 -3.23359277 19.80699196
0.00033285 0.00032409 0.00009475
-0.01610463 0.01765637 -0.01811504
-0.49133924 0.43499679 -4.88709710
-0.00027292 -0.00007024 -0.00012801
0.00830685 0.00806815 -0.00376726
-0.91002869 3.23411179 -4.95180694
-0.00071273 -0.00084356 -0.00008523
-0.01058911 0.01951572 -0.00459597
23.39358358 -8.79484410 -9.14885218
-0.00028258 0.00068905 -0.00012027
0.01448816 0.00468743 -0.00161139
23.98454194 -5.79321636 -8.52956971
-0.00048665 0.00010247 0.00060903
0.00829385 -0.00346132 0.00142404
0.15441927 -6.28180967 5.70507733
-0.00050204 -0.00021166 -0.00027448
-0.00576219 0.00336572 -0.01855993
0.71850479 -6.36816717 8.34817826
0.00032334 -0.00059704 -0.00078524
-0.00406629 0.00993058 0.01136377
-0.53184717 -2.67152536 -19.47244429
0.00092402 0.00008651 -0.00069393
0.02632895 -0.01618246 0.00868447
-2.97374781 -2.01810300 -20.52279207
0.00020361 -0.00002566 0.00069220
-0.01301014 0.00451970 -0.00407013
2.70553022 3.03094282 -10.62554663
0.00051833 0.00078842 0.00071428
0.00580987 -0.01958804 0.01530167
2.08463638 1.95573132 -7.85262714
-0.00065283 -0.00145503 0.00049861
-0.01246247 0.00972347 0.01136833
-2.09347383 16.66279482 12.30162133
0.00031633 -0.00039520 -0.00026920
-0.03652658 0.02019607 0.00586312
-3.69678880 18.57714778 13.92250410
-0.00047589 -0.00082302 0.00000901
0.01044541 0.01285983 0.00709779
-5.38283072 6.02749899 -11.12919578
-0.00157981 -0.00013334 0.00036372
0.00351138 0.01061350 -0.00236289
-4.26713424 3.75711687 -12.34770908
-0.00107002 -0.00072150 -0.00067155
0.01547584 -0.00273886 0.00116819
-7.62973183 1.82015284 -7.41471875
-0.00035729 -0.00075966 -0.00066884
-0.00378364 -0.00629655 -0.00150101
-6.32056722 3.29380717 -9.46457039
0.00073655 0.00015168 -0.00058580
0.03690871 0.00862259 -0.00713729
2.95299668 28.03438228 7.11819768
0.00007042 -0.00095319 0.00077805
0.00262074 -0.00512480 -0.00560276
1.07762052 28.65914386 9.12844638
0.00027367 0.00091987 -0.00023506
-0.00456919 -0.00245064 0.00554181
10.61534486 -7.40356602 -0.77677054
0.00018877 -0.00023792 0.00057465
-0.00136352 0.00365623 0.00193628
8.46576474 -7.27317798 -2.76429881
-0.00038434 -0.00080151 0.00047705
-0.00050043 -0.00347218 0.00139244
-7.12314079 0.29011502 6.78316114
0.00006320 -0.00062882 0.00056185
0.02201947 -0.00064936 -0.00214796
-9.84278777 -0.09295520 7.28300542
-0.00072439 0.00124165 0.00016360
0.01214883 0.02041578 -0.02936416
21.51259898 10.62191229 10.24420653
-0.00090987 0.00112008 0.00051935
-0.00442669 0.00171478 -0.00574354
20.62842196 12.63561637 8.34648505
-0.00079223 0.00103845 -0.00020707
0.00257242 0.00119323 -0.00449836
-1.03763270 -3.40712292 -26.39914771
0.00006717 0.00108025 -0.00014030
-0.02108016 0.01817304 -0.01830438
-3.67484190 -2.04696289 -26.68518883
0.00131632 0.00004106 0.00044899
-0.02111216 0.00064133 0.01367620
-13.78518557 7.27613045 9.23293805
0.00037620 -0.00014285 0.00011440
0.00723370 -0.00947351 0.00637052
-15.45210364 7.29948171 7.13364603
0.00038275 0.00024087 0.00069433
-0.00743435 0.00244058 -0.01425711
-11.27735209 7.83479246 -2.59471938
0.00033949 0.00056517 0.00075689
-0.00565981 -0.00503490 -0.00039888
-8.54643097 8.24663632 -3.59498001
-0.00084073 0.00005735 -0.00016295
-0.01418394 -0.01117554 0.01370742
-1.03324174 -16.87762196 22.91944782
-0.00045829 0.00003295 -0.00073643
0.00836004 -0.02240992 -0.00812138
-3.55027359 -15.61743283 23.67642477
-0.00140487 -0.00068560 -0.00027858
-0.00244940 -0.00016045 0.00472476
-2.48736956 6.39425182 -7.95958367
-0.00108572 0.00022325 -0.00000456
0.00252988 -0.00613784 -0.01541397
-4.40634882 6.77680450 -5.94290345
0.00041900 -0.00085742 0.00017351
-0.02939413 0.01167254 0.01028415
-21.49840693 29.71386559 3.04037203
-0.00109831 -0.00045293 -0.00028941
0.00637785 0.01829666 0.01625408
-21.14089566 31.02234664 5.76786746
-0.00070354 -0.00023651 0.00039531
0.00574095 -0.00427334 -0.03175384
6.87745576 0.05291367 5.98180004
-0.00067286 0.00078861 -0.00070681
0.00734207 -0.01577487 0.00191793
7.40841457 2.11581630 7.74501801
-0.00082005 0.00020144 -0.00065303
0.00218844 0.01144308 0.01450752
7.12035980 12.78854860 -13.55412101
0.00010504 0.00024592 0.00169896
0.00087403 0.00112107 -0.00097689
4.56729513 11.80124365 -14.97552742
0.00094262 -0.00006363 0.00045966
0.03540583 -0.00580825 0.04038879
14.30030011 3.77793391 -2.69958331
-0.00023891 0.00034544 0.00100257
0.00521777 -0.00224267 0.00576151
14.85988003 1.03990911 -1.88040332
0.00009543 0.00072200 0.00064412
0.00802884 0.01908116 0.00748146
-2.70631663 12.79702652 -0.38699337
-0.00057577 -0.00096660 0.00055471
-0.00585578 -0.00161091 0.00701047
-5.59427064 13.02787038 0.66198529
0.00021361 -0.00001954 0.00010798
0.01414547 -0.00418902 -0.00734803
3.31889339 11.15388881 3.18944471
-0.00095804 0.00044121 -0.00095787
0.03061565 0.02137921 -0.01118750
6.31431339 11.48385629 2.97012348
0.00014198 -0.00115502 0.00030862
0.00168338 0.00180773 0.00322650
25.29647262 -12.46233621 -8.35623204
0.00000110 -0.00022936 0.00017622
-0.00766314 -0.00470209 0.00029757
26.73462018 -11.70193590 -10.93054832
0.00037289 0.00023087 -0.00051771
-0.03546329 0.01292902 0.00363301
15.04261540 -3.37887240 0.16070862
0.00103061 0.00116051 0.00112832
0.02805005 0.00043143 -0.01609208
16.99779088 -5.50248679 -0.56094416
-0.00025904 0.00065686 -0.00020331
0.00006258 0.02605828 -0.00756692
12.20967169 7.83879781 11.78826106
-0.00099195 -0.00037151 0.00030798
0.00981237 0.01324997 -0.01833054
13.46037688 9.75033403 9.71140159
-0.00022310 -0.00025388 -0.00044855
-0.00390584 -0.00565043 0.00401930
-0.05110463 -14.69223215 17.34904971
-0.00005803 0.00041054 0.00054764
-0.02009657 -0.00282047 -0.00210994
1.49706100 -12.42627198 18.51040333
-0.00013922 -0.00047600 0.00050648
0.00179494 -0.02331984 -0.01108359
-4.00261666 -2.14209708 -13.06017005
-0.00009830 0.00125661 0.00039764
0.00508468 -0.00492568 0.00061115
-3.24398253 -1.34296622 -15.90380372
0.00074507 -0.00112409 -0.00026095
-0.00565118 0.00856856 0.03460722
14.75346345 -8.26814424 -10.60052441
0.00017721 -0.00010581 -0.00026245
-0.00083795 0.01828946 0.02796995
16.39777656 -6.04666660 -9.08944896
0.00005334 0.00043217 0.00104819
-0.01916758 -0.03073538 -0.00816347
6.82643463 -6.09474055 8.50805550
0.00087687 0.00002502 -0.00080540
0.00702109 0.01033578 0.00490233
9.64424847 -6.58487302 7.67936385
-0.00057647 0.00001197 0.00090404
-0.00055066 0.00638920 -0.00358513
-21.78762273 2.00525219 21.17637713
0.00026677 -0.00006022 -0.00004234
-0.00281059 -0.00318846 -0.04280107
-22.39782337 1.43207801 23.86638052
-0.00030747 0.00043941 -0.00032753
0.01947476 0.00253138 -0.00702060
26.73028449 -2.95760331 -6.67003653
0.00003726 -0.00010752 -0.00027899
0.00393146 0.00026472 0.00392727
25.27753115 -1.52575180 -8.72273639
-0.00003251 0.00030770 -0.00063869
-0.00238829 0.01245928 -0.00317677
9.80632371 -15.63285853 -7.73458619
0.00089027 0.00049196 -0.00066029
-0.00420988 -0.02877245 0.00514163
9.35293088 -12.97937766 -6.84691432
0.00036161 0.00033897 -0.00022402
-0.00383412 0.00742328 -0.00521427
-5.98276502 -11.34984000 18.25868602
-0.00017114 -0.00047767 -0.00059789
0.00329172 0.00610726 -0.00325661
-7.00938748 -11.42513876 15.47650242
0.00051786 0.00031264 0.00007972
0.00019611 0.00683375 0.00203897
8.34156186 1.39562012 -29.42888128
-0.00042223 0.00035178 -0.00047807
0.01250908 -0.01162641 0.00035945
6.07427493 3.00185448 -29.94646828
-0.00077390 -0.00153083 -0.00055640
0.00392558 0.00011562 -0.00478167
12.75492068 15.13815670 14.59322970
0.00045304 -0.00118596 -0.00081497
-0.00908746 0.00384206 0.00121614
11.21989183 15.93070719 17.23986087
-0.00002230 0.00029783 -0.00040914
-0.00236291 -0.00525868 -0.03992452
29.27606106 4.89884670 -4.54124386
0.00025985 0.00037212 -0.00024296
0.00254759 -0.00688060 -0.01040133
26.96064228 6.61832514 -3.86754365
-0.00035048 0.00102483 0.00034789
0.00488222 0.00021611 0.00115713
-9.94587100 4.89091818 6.59372843
-0.00001852 0.00016030 -0.00023154
-0.00088236 0.01210711 0.00228709
-8.76763728 13.34608321 2.59471847
-0.00011283 0.00006055 -0.00000074
-0.00500857 -0.00184090 0.00177758
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09503046
0.32935664
438.85121354
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3554127871 (a.u.)
total exchange computation time: 2.6294109821 s
-154.2268940291
-931.42320088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3555212696 (a.u.)
total exchange computation time: 2.6282389164 s
-154.2273079598
Anderson extrapolation: theta=1.3641348108 (1.3641348108)
-931.42337939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3556098085 (a.u.)
total exchange computation time: 2.6287579536 s
-154.2283242378
Anderson extrapolation: theta=0.0585166844 (0.0585166844)
-931.42348909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3555661572 (a.u.)
total exchange computation time: 2.6309711933 s
-154.2287764254
Anderson extrapolation: theta=2.1524887263 (2.0000000000)
-931.42349433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3554654817 (a.u.)
total exchange computation time: 2.6297039986 s
-154.2297317978
Anderson extrapolation: theta=0.3240374468 (0.3240374468)
-931.42350105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3554351026 (a.u.)
total exchange computation time: 2.6298902035 s
-154.2299695947
Anderson extrapolation: theta=1.3871209480 (1.3871209480)
-931.42350277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3554112123 (a.u.)
total exchange computation time: 2.6310241222 s
-154.2301092954
Anderson extrapolation: theta=0.4083905938 (0.4083905938)
-931.42350448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3554197342 (a.u.)
total exchange computation time: 2.6290240288 s
-154.2299877447
Anderson extrapolation: theta=0.9650030108 (0.9650030108)
-931.42350500
-72.161019 67.936603 97.828323
559.076244 1031.399610 -410.106630
486.915225 1099.336214 -312.278307
1242.233588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3554407845 (a.u.)
total exchange computation time: 2.6549589634 s
678.61969491
-1083.07583932
89.89065602
-389.66935054
-174.83322559
77.95333095
551.60419304
0.00000000
-931.42350530
4.06253011 -31.17331114 -2.22217944
0.00005358 -0.00049708 0.00005600
-0.01853039 0.00910661 -0.00552407
-11.47914138 -1.58145546 -9.28801754
-0.00008250 0.00030471 -0.00013742
-0.02740600 -0.03044007 -0.00986629
-37.51970429 2.41556465 0.21962241
-0.00006553 0.00004146 0.00000622
0.01918323 0.00921656 -0.01892767
-11.71808690 -4.18937957 3.95327263
0.00007137 -0.00009907 0.00012081
0.00367808 -0.00700990 -0.00431980
4.14270615 -4.02036017 9.02716061
-0.00019459 -0.00001754 -0.00038616
0.00262047 0.02313861 -0.00260596
-32.41007356 -0.34356660 -0.21550847
-0.00056127 0.00012303 0.00038568
-0.01945332 0.02248745 0.03258920
14.36431102 12.50460843 -13.66027997
0.00001042 -0.00016587 0.00045649
-0.00868191 0.00279514 0.01450121
-7.73128144 6.06813057 2.66085886
-0.00003172 -0.00006637 -0.00005676
0.00195665 0.00528101 0.01815168
7.41347441 12.35445627 -5.99019750
-0.00028858 -0.00029489 -0.00027217
-0.01396861 0.00127129 -0.01670882
8.81826627 9.93228059 -19.01414618
0.00001544 0.00003694 -0.00026397
0.00222398 -0.00258342 0.00298859
23.17576833 17.32758070 -2.25250916
-0.00015650 0.00006730 -0.00015807
0.02502684 0.00180458 -0.01451457
2.10808472 16.81577016 -19.63947556
0.00000940 -0.00008443 -0.00000715
0.00781521 0.01107840 0.04301922
13.98601604 -1.02355755 -5.75498545
-0.00010003 0.00028681 -0.00008164
0.01239990 -0.00322145 0.00058801
-16.04383882 -1.35535118 3.25324543
-0.00000809 0.00000345 0.00001365
-0.03263701 -0.03263521 -0.02624295
-16.34763233 -2.10553805 18.83064549
0.00054962 -0.00036791 -0.00013443
0.00380753 -0.00332806 0.03621672
0.47150510 2.08560022 -4.80644335
0.00019769 0.00019234 0.00026183
-0.00346119 -0.02708565 0.00248235
22.74763840 -7.10957160 -8.81941536
0.00020927 -0.00002347 0.00003331
-0.03426977 0.00542918 -0.00253254
-0.76510405 -6.31166524 7.27309936
-0.00005229 -0.00001479 0.00012505
0.00962274 -0.01097207 0.00522523
-1.73852080 -1.36595235 -19.33185441
-0.00014030 0.00000146 -0.00005096
-0.01420148 0.00525592 0.00115454
3.19229583 1.77224377 -9.29136186
-0.00005266 -0.00026930 -0.00000072
0.00125674 0.01578688 -0.01929695
-3.78266454 17.73493672 12.31178385
0.00030580 -0.00003557 0.00006356
0.03858954 -0.02500562 -0.00977439
-3.81461360 5.05313352 -11.12165742
0.00020614 0.00020047 -0.00005861
-0.02534016 -0.00231155 -0.01950737
-7.91797779 2.79869880 -8.93534777
0.00002662 -0.00027178 0.00022583
-0.02930640 0.00260956 0.00322671
2.41202916 27.47726087 8.76331018
0.00023547 0.00008091 0.00019663
-0.01016667 0.00266580 0.01125163
9.60901123 -6.23779728 -1.78838307
-0.00033126 0.00008330 0.00004877
0.00068932 -0.00421567 0.00195063
-8.70622094 0.81635781 6.03773504
0.00004451 -0.00007500 0.00017708
-0.02940286 -0.02724083 0.03479425
20.41084013 10.85304201 8.78219798
0.00019641 -0.00001347 -0.00011071
0.00407630 0.00425210 0.00280083
-2.06768650 -2.15172802 -27.47425338
0.00026161 -0.00016027 -0.00028218
0.03476958 -0.02167390 0.00436483
-14.28145809 6.14185226 7.88427785
0.00012420 -0.00002011 0.00030253
0.00909458 0.00473579 0.00699836
-9.57981073 7.26136637 -2.29617775
-0.00013012 -0.00014353 0.00049764
0.00847558 0.00941298 -0.00915397
-1.77951875 -15.30152987 23.36677389
0.00028039 0.00051379 -0.00039577
-0.01797884 0.01448831 0.00317779
-2.70859457 6.32965596 -6.17014055
-0.00006994 -0.00000793 0.00022994
0.03011774 -0.01294616 0.00431838
-20.22100738 30.57488914 4.16669525
-0.00018593 -0.00072421 -0.00005980
-0.02230238 -0.00140146 0.02387827
7.69088604 0.32880930 7.63442877
0.00021452 0.00029946 -0.00014157
-0.00830982 0.00849411 -0.01220618
5.75208207 11.48753390 -13.47294034
-0.00005879 -0.00031348 0.00008841
-0.03101756 -0.02032168 -0.04248362
15.54385787 2.75552833 -1.78429866
0.00004894 -0.00008109 0.00019034
-0.00205455 0.00464934 -0.00464237
-4.42474387 13.24930007 -0.79037412
-0.00011354 -0.00032827 0.00005597
-0.00563627 0.00174771 -0.00657527
4.73822302 12.46765073 2.78621389
0.00012796 0.00026286 -0.00054240
-0.03561280 -0.02100528 0.00892362
25.06924947 -11.52942207 -9.91884102
0.00002667 0.00015170 -0.00008770
0.02637828 -0.01499096 0.00876341
16.72292749 -3.61354557 -0.69203006
0.00027109 0.00013439 -0.00018382
-0.02274220 -0.01910598 0.02291229
13.20497383 7.97494026 10.18599503
0.00047302 -0.00005555 0.00013526
-0.00164339 -0.02085693 0.01067668
1.62412195 -14.05190695 17.58021151
0.00023077 -0.00008620 -0.00015570
0.02898922 0.03389572 0.01437256
-3.84292957 -0.71976407 -14.19179886
0.00038598 -0.00002315 0.00019745
0.00021717 0.00397808 -0.04404258
15.02177077 -7.54318810 -8.86310538
-0.00011177 0.00019369 0.00006503
0.01960595 -0.00541326 -0.02627117
8.38138927 -7.04459575 8.90501093
-0.00006962 -0.00003739 0.00012118
0.00448111 0.00961386 0.00491008
-21.11329525 2.30491226 22.78682115
0.00010956 0.00008676 0.00018963
-0.01226154 0.00102349 0.04426121
25.69097471 -3.20822921 -8.14917419
0.00006498 0.00017042 -0.00015877
0.00216694 -0.00325190 0.00157566
9.88822298 -13.94582939 -8.31198151
0.00004469 0.00005975 -0.00032901
0.00013045 0.01941668 -0.00039743
-6.73332355 -12.42662266 16.98050228
0.00005186 0.00015514 0.00008206
0.00427984 -0.00193708 -0.00714847
7.81621980 3.11254282 -29.32547070
-0.00035268 -0.00035261 0.00010528
-0.01890839 0.01039481 -0.00398777
10.99315703 15.52627662 15.37737976
0.00022737 0.00040926 0.00020059
0.00135774 0.00723148 0.03076158
28.71976758 6.22988527 -3.42585876
0.00013402 0.00016527 -0.00023180
-0.01005413 0.01343291 0.01662490
5.33075644 -31.64846865 -3.45782590
0.00005758 -0.00088267 -0.00017898
0.00852819 -0.00244094 0.00039940
4.65212264 -31.24361109 -0.47603027
0.00078729 -0.00003994 0.00017560
0.00178832 -0.01023301 0.00203466
-11.99230003 -3.37220814 -9.00108088
-0.00038455 0.00070047 -0.00075554
0.00974245 0.01564533 0.00100543
-12.45365603 -1.12445945 -10.77849506
0.00058590 0.00057516 0.00024956
0.00528581 0.00493355 0.00361141
-38.97893836 2.03311290 1.17281554
-0.00002668 0.00034977 0.00064100
-0.01687783 -0.00012727 0.00968355
-37.93227481 3.82602535 -0.91016931
0.00026665 -0.00082768 0.00069987
0.00023096 0.00015392 0.00243825
-10.66270200 -5.65526946 3.36072455
-0.00081140 0.00070359 -0.00018840
-0.00720100 0.02119685 0.00591500
-10.76122694 -2.62651897 3.80218417
-0.00017419 -0.00055072 0.00060648
0.00410497 -0.01063936 0.00230850
4.48436335 -2.29637400 8.33907784
-0.00080980 -0.00054890 0.00021834
-0.00226764 -0.02651241 0.01096224
3.98490044 -3.75515522 10.87405096
-0.00108261 -0.00066506 -0.00044879
0.00634405 -0.00448299 -0.01476673
-33.89921249 -1.39517726 -0.09999045
-0.00108395 0.00056143 0.00083105
0.00153166 -0.00102933 -0.00545466
-32.94061001 1.12343106 0.91193444
-0.00050787 0.00065564 -0.00044941
0.01335456 -0.02875358 -0.02943588
13.82751599 12.74066124 -15.37866282
-0.00142921 0.00057791 -0.00074489
0.00310510 0.00361997 -0.01315731
16.16394832 12.41867229 -13.60928246
-0.00126495 0.00068607 -0.00083521
0.01568274 -0.00407739 -0.00946086
-8.51986380 7.37748614 1.70963365
0.00058115 0.00048431 0.00038727
-0.00758187 0.01717208 -0.00499165
-7.39425473 4.95934336 1.29122152
-0.00001008 0.00086869 0.00106039
0.00664182 -0.02676213 -0.01464530
6.09009503 12.39294133 -7.31071460
0.00046814 0.00023617 -0.00065402
0.01661555 -0.00062266 0.01344999
8.82203096 13.48237492 -6.63769717
-0.00059545 -0.00085154 0.00043520
-0.00094219 0.00252224 0.00309148
8.47808815 8.62910179 -20.23437074
0.00025376 -0.00020216 0.00080788
0.00667962 -0.00055048 -0.00488452
10.22113018 11.01957245 -19.56419324
0.00053087 -0.00100582 0.00082296
-0.00089084 -0.00869993 -0.00042601
24.08708509 15.76000211 -2.75275798
0.00064252 -0.00024468 -0.00039159
-0.00890618 -0.00359075 0.00422893
24.58719705 18.49180329 -2.60024293
-0.00118146 0.00089762 -0.00099220
-0.00732744 0.00179381 0.00123140
1.83470231 16.92822521 -21.37425893
-0.00042688 0.00043151 -0.00058296
-0.02020825 0.00441495 -0.04588459
3.52679314 15.68230329 -19.59005512
-0.00034440 0.00065783 0.00005491
0.00827536 -0.01515628 0.01405813
12.58287070 -1.29857453 -6.95363868
0.00066517 -0.00136071 -0.00093624
0.00500778 0.00447622 0.01031873
13.42415667 -0.88244723 -4.03612001
-0.00000395 0.00002794 -0.00058484
-0.01319380 -0.00613711 -0.00469656
-17.64818111 -2.10350446 2.54755510
0.00009941 0.00055087 0.00068778
0.02250236 0.01325955 0.02101176
-14.83583487 -2.70946740 2.86303388
-0.00095188 -0.00036254 -0.00095068
0.00269478 0.00625494 0.01286471
-16.74326765 -0.70662636 20.04006488
0.00000787 0.00007407 -0.00072716
0.01327191 -0.01071417 -0.01782940
-15.18386057 -3.22819039 19.80785813
0.00027061 0.00039223 0.00002345
-0.01436303 0.01570138 -0.01678883
-0.49517846 0.43419041 -4.88913269
-0.00023507 -0.00003487 -0.00014283
0.01022096 0.00924690 -0.00348961
-0.92104418 3.22205646 -4.95322625
-0.00075398 -0.00076264 -0.00010408
-0.00959927 0.02009410 -0.00462929
23.38978888 -8.78436467 -9.15070558
-0.00021841 0.00069729 -0.00012852
0.01692095 -0.00065507 -0.00242800
23.97749632 -5.79178532 -8.52039065
-0.00044923 0.00009094 0.00061522
0.01002497 -0.00218402 0.00160798
0.14671204 -6.28488142 5.70039146
-0.00052705 -0.00019794 -0.00034880
-0.00648066 0.00335188 -0.01782086
0.72323022 -6.37681839 8.33674782
0.00030928 -0.00055646 -0.00073638
-0.00281539 0.00993038 0.01255345
-0.51718001 -2.67072356 -19.48258711
0.00102203 0.00003044 -0.00065768
0.02164749 -0.01126535 0.00905753
-2.97109227 -2.01834942 -20.51253381
0.00014399 -0.00001103 0.00066895
-0.01617649 0.00264364 -0.00731013
2.71348325 3.04216894 -10.61436353
0.00054093 0.00070790 0.00077656
0.00524994 -0.01982662 0.01518218
2.07446208 1.93420386 -7.84479960
-0.00069773 -0.00141455 0.00053723
-0.00951631 0.01009201 0.00753326
-2.08984815 16.65748564 12.29776301
0.00016653 -0.00031146 -0.00024410
-0.03680191 0.02079791 0.00642122
-3.70360713 18.56519654 13.92285675
-0.00043168 -0.00076727 0.00004362
0.01119689 0.01443020 0.00984610
-5.40642027 6.02582408 -11.12381242
-0.00154994 -0.00009807 0.00035391
0.01111105 0.00665430 -0.00243745
-4.28271025 3.74621051 -12.35774658
-0.00100104 -0.00071915 -0.00065417
0.01828723 0.00388504 0.00734046
-7.63520705 1.80856492 -7.42479733
-0.00037021 -0.00078929 -0.00066800
-0.00254113 -0.00820545 0.00191093
-6.30838803 3.29634653 -9.47357602
0.00086835 0.00017998 -0.00060709
0.02760825 0.00523193 -0.00328475
2.95413326 28.01992744 7.12969682
0.00008577 -0.00096982 0.00074186
0.00489595 -0.00301678 -0.01211287
1.08158553 28.67286676 9.12509035
0.00026021 0.00090519 -0.00021334
-0.00201668 -0.00473259 0.00508845
10.61813464 -7.40702271 -0.76809150
0.00017744 -0.00021561 0.00057648
-0.00418140 0.00726147 -0.00103986
8.45998438 -7.28530699 -2.75710043
-0.00038345 -0.00081212 0.00048488
0.00093271 -0.00172325 0.00243972
-7.12151797 0.28066281 6.79152313
0.00014796 -0.00063020 0.00055116
0.01946671 -0.00002321 -0.00308757
-9.85328137 -0.07370481 7.28455958
-0.00067515 0.00132281 0.00004526
0.01195550 0.01930994 -0.02856541
21.49881533 10.63876610 10.25182074
-0.00092481 0.00112596 0.00049908
-0.00288817 0.00116054 -0.00417926
20.61661735 12.65122974 8.34324119
-0.00078263 0.00103101 -0.00022270
0.00212483 -0.00483766 -0.00315206
-1.03727107 -3.39036235 -26.40181315
-0.00001417 0.00114795 -0.00021195
-0.01873568 0.01497074 -0.01676852
-3.65574409 -2.04632741 -26.67803483
0.00121992 0.00004516 0.00050882
-0.02607418 0.00136862 0.01560846
-13.77932086 7.27369734 9.23484930
0.00040655 -0.00018068 0.00014247
0.00762362 -0.00904355 0.00737050
-15.44659027 7.30316956 7.14362408
0.00035013 0.00025223 0.00063467
-0.00853342 0.00312172 -0.01494656
-11.27243314 7.84311575 -2.58337832
0.00031138 0.00054488 0.00075585
-0.00810081 -0.00489967 -0.00010724
-8.55947650 8.24715407 -3.59700419
-0.00089670 0.00001039 -0.00010517
-0.01321518 -0.01180906 0.01457597
-1.03985995 -16.87781437 22.90815257
-0.00042424 -0.00005472 -0.00076880
0.00830904 -0.02050658 -0.00772756
-3.57142170 -15.62772174 23.67239082
-0.00138757 -0.00067983 -0.00026338
0.01091604 0.00298297 0.00271467
-2.50357790 6.39741245 -7.96012435
-0.00107390 0.00019780 -0.00006539
0.00325951 -0.00632040 -0.01436407
-4.40096448 6.76430094 -5.93998563
0.00028700 -0.00080739 0.00021869
-0.03522327 0.01281379 0.01182911
-21.51468611 29.70763231 3.03652902
-0.00106808 -0.00037602 -0.00021994
0.00842093 0.01935125 0.01774936
-21.15127279 31.01866809 5.77282408
-0.00067557 -0.00025570 0.00025917
0.00794901 -0.00512339 -0.03488857
6.86758780 0.06425940 5.97125659
-0.00063752 0.00072316 -0.00068998
0.00995921 -0.01626455 0.00632434
7.39618086 2.11918856 7.73566708
-0.00080989 0.00024804 -0.00059195
0.00278484 0.01136823 0.01539486
7.12196223 12.79227178 -13.52866654
0.00010497 0.00024711 0.00169372
-0.00091119 -0.00053910 -0.00158797
4.58251937 11.80011120 -14.96739493
0.00108040 -0.00008596 0.00061690
0.03204000 -0.00512416 0.03658231
14.29687629 3.78304682 -2.68436824
-0.00021733 0.00033572 0.00102584
0.00534681 -0.00251475 0.00563267
14.86155747 1.05132386 -1.87051233
0.00012356 0.00078843 0.00067340
0.00574127 0.01343403 0.00685571
-2.71513267 12.78247811 -0.37845795
-0.00059658 -0.00097354 0.00058294
-0.00432999 -0.00178319 0.00681215
-5.59063296 13.02744893 0.66337986
0.00026905 -0.00003673 0.00007908
0.01298894 -0.00422379 -0.00679952
3.30546097 11.16116203 3.17473383
-0.00082888 0.00053104 -0.00100350
0.03260728 0.02259631 -0.01114897
6.31649474 11.46658637 2.97485168
0.00014095 -0.00114146 0.00032015
-0.00219022 0.00483010 0.00241781
25.29625426 -12.46592075 -8.35357963
-0.00003064 -0.00024510 0.00017173
-0.00787157 -0.00300206 -0.00249340
26.73912680 -11.69807665 -10.93820267
0.00022477 0.00028351 -0.00050104
-0.03704062 0.01283953 0.00452681
15.05893402 -3.36145152 0.17714036
0.00114448 0.00116125 0.00106141
0.02769001 -0.00007120 -0.01666240
16.99390713 -5.49183544 -0.56422575
-0.00025794 0.00075660 -0.00023350
0.00047967 0.02276546 -0.00720781
12.19509312 7.83363124 11.79231901
-0.00094601 -0.00031516 0.00022496
0.01267604 0.01432970 -0.02230622
13.45691063 9.74635271 9.70479654
-0.00023839 -0.00027473 -0.00043168
-0.00357846 -0.00455541 0.00423940
-0.05259083 -14.68616042 17.35719963
-0.00013896 0.00039746 0.00053812
-0.01952303 -0.00358219 -0.00254742
1.49502773 -12.43412659 18.51766083
-0.00013023 -0.00057003 0.00046120
0.00260259 -0.02270575 -0.01107807
-4.00393532 -2.12339893 -13.05418668
-0.00007843 0.00122576 0.00040808
0.00464018 -0.01017433 0.00449580
-3.23297969 -1.35956494 -15.90665755
0.00071896 -0.00108539 -0.00011175
-0.00712889 0.01037358 0.03842823
14.75609594 -8.26917097 -10.60360404
0.00017475 -0.00002939 -0.00014555
-0.00036493 0.01912032 0.02925235
16.39798923 -6.04112591 -9.07397622
-0.00002592 0.00030522 0.00101236
-0.01962827 -0.03140577 -0.00937534
6.83980286 -6.09404852 8.49612466
0.00089826 0.00006982 -0.00078519
0.00344752 0.01159384 0.00499282
9.63558461 -6.58449763 7.69281460
-0.00056699 0.00004013 0.00088009
0.00518974 0.00739447 -0.00813913
-21.78370724 2.00425120 21.17443042
0.00025763 -0.00007220 -0.00021342
-0.00166763 -0.00267404 -0.04094105
-22.40183869 1.43874676 23.86125240
-0.00022907 0.00044875 -0.00035404
0.01890615 0.00204102 -0.00595736
26.73096385 -2.95920807 -6.67410100
0.00005470 -0.00010542 -0.00026148
0.00460643 0.00076630 0.00464406
25.27697030 -1.52075453 -8.73241402
-0.00004022 0.00035413 -0.00064962
-0.00138576 0.01027071 -0.00217535
9.81954879 -15.62636078 -7.74433291
0.00087222 0.00036624 -0.00063546
-0.00462707 -0.03276859 0.00701008
9.35823752 -12.97406570 -6.85043433
0.00034650 0.00036722 -0.00024752
-0.00355937 0.00640947 -0.00629189
-5.98523132 -11.35681788 18.24961785
-0.00015187 -0.00044475 -0.00060059
0.00614397 0.01000435 0.00193499
-7.00161358 -11.42023978 15.47776074
0.00051851 0.00033973 0.00008808
0.00012219 0.00642597 0.00205106
8.33561178 1.40054059 -29.43604133
-0.00036600 0.00029379 -0.00047639
0.01501565 -0.01676132 0.00046461
6.06278675 2.97889556 -29.95496076
-0.00075056 -0.00152759 -0.00057234
0.00749602 0.00147277 -0.00302437
12.76143781 15.12048498 14.58104245
0.00041153 -0.00116671 -0.00080575
-0.01123076 0.00558391 0.00329750
11.21948495 15.93501352 17.23250032
-0.00003004 0.00027761 -0.00056538
-0.00142577 -0.00464107 -0.03655695
29.28003680 4.90421767 -4.54520696
0.00026865 0.00034322 -0.00028658
0.00176088 -0.00726462 -0.01095246
26.95553474 6.63370421 -3.86228981
-0.00032358 0.00102248 0.00035285
0.00828382 -0.00136713 0.00126904
-9.94615117 4.89335524 6.59026150
-0.00001883 0.00016460 -0.00023070
-0.00083442 0.01190755 0.00238079
-8.76933850 13.34698822 2.59471043
-0.00011399 0.00006009 -0.00000029
-0.00496977 -0.00211570 0.00214676
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09481564
0.32868967
437.96250591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3596407400 (a.u.)
total exchange computation time: 2.6580419540 s
-154.2379222256
-931.42106244
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3596613152 (a.u.)
total exchange computation time: 2.6538400650 s
-154.2388406438
Anderson extrapolation: theta=1.3659762098 (1.3659762098)
-931.42123794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3595918020 (a.u.)
total exchange computation time: 2.6537408829 s
-154.2407238036
Anderson extrapolation: theta=0.0576821240 (0.0576821240)
-931.42134496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3595067933 (a.u.)
total exchange computation time: 2.6581408978 s
-154.2413751760
Anderson extrapolation: theta=2.0991734714 (2.0000000000)
-931.42134963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3593053600 (a.u.)
total exchange computation time: 2.6544928551 s
-154.2428157101
Anderson extrapolation: theta=0.2896238268 (0.2896238268)
-931.42135513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3592358477 (a.u.)
total exchange computation time: 2.6557419300 s
-154.2432305771
Anderson extrapolation: theta=1.5035039417 (1.5035039417)
-931.42135633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3591452030 (a.u.)
total exchange computation time: 2.6566691399 s
-154.2436900206
Anderson extrapolation: theta=0.3585193164 (0.3585193164)
-931.42135747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3591291937 (a.u.)
total exchange computation time: 2.6568529606 s
-154.2436897805
Anderson extrapolation: theta=1.0467267965 (1.0467267965)
-931.42135776
-72.241504 67.974887 97.754058
559.039765 1031.404879 -410.095350
486.798261 1099.379766 -312.341292
1242.242126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3591260953 (a.u.)
total exchange computation time: 2.6564979553 s
678.67753848
-1083.20651366
89.88834803
-389.57837202
-174.84323263
78.02797559
551.60419304
0.00000000
-931.42135789
4.06326229 -31.18073228 -2.22136080
0.00004461 -0.00049252 0.00005325
-0.01632461 0.00863603 -0.00514010
-11.48048452 -1.57700225 -9.29011685
-0.00009585 0.00028930 -0.00014175
-0.02454257 -0.02948227 -0.00699234
-37.52061320 2.41622205 0.21964263
-0.00005577 0.00004447 -0.00000188
0.01875799 0.00251729 -0.01253919
-11.71700218 -4.19089263 3.95506817
0.00007188 -0.00010247 0.00011914
-0.00168647 -0.00620059 -0.00219440
4.13979737 -4.02053400 9.02135817
-0.00019355 -0.00000696 -0.00038713
0.00141591 0.01799763 -0.00116809
-32.41856766 -0.34163438 -0.20959756
-0.00057149 0.00013430 0.00040226
-0.02029866 0.02133257 0.03187730
14.36443381 12.50213114 -13.65337670
0.00000204 -0.00016383 0.00046076
-0.02390487 0.00512367 0.00211570
-7.73174967 6.06715546 2.66007741
-0.00003122 -0.00006179 -0.00004505
-0.00002378 0.01251304 0.02740275
7.40909190 12.35003779 -5.99434443
-0.00029593 -0.00029478 -0.00028025
-0.01463697 -0.00082344 -0.01471810
8.81850642 9.93282478 -19.01809427
0.00001602 0.00003585 -0.00026124
0.00004798 -0.00165122 0.00764168
23.17351743 17.32859714 -2.25493620
-0.00014330 0.00006734 -0.00016570
0.02630637 -0.00163059 -0.01515404
2.10825585 16.81454639 -19.63941690
0.00001189 -0.00007767 0.00001326
0.00187477 0.01524068 0.03633726
13.98456338 -1.01926783 -5.75620780
-0.00009336 0.00028495 -0.00008266
0.01355895 -0.00401708 -0.00456685
-16.04408607 -1.35542525 3.25334900
-0.00002436 -0.00001293 0.00000045
-0.03062739 -0.03108721 -0.02509517
-16.33937338 -2.11106949 18.82876879
0.00055092 -0.00036887 -0.00011632
0.00126404 -0.00040490 0.03417480
0.47445706 2.08838091 -4.80250633
0.00019506 0.00017810 0.00026297
-0.00675368 -0.02829203 0.00194635
22.75064532 -7.10990266 -8.81892544
0.00019068 -0.00001960 0.00003219
-0.03804715 0.00960725 -0.00184974
-0.76585136 -6.31192938 7.27499520
-0.00004745 -0.00002042 0.00012717
0.00922432 -0.01092924 0.00303219
-1.74068005 -1.36591017 -19.33261438
-0.00014547 0.00000327 -0.00004965
-0.00589223 0.00178244 0.00392803
3.19151077 1.76826514 -9.29144705
-0.00005267 -0.00026122 -0.00000942
-0.00128436 0.01562747 -0.01456172
-3.77792871 17.73430668 12.31269959
0.00032538 -0.00004877 0.00005793
0.03755491 -0.02632414 -0.01211559
-3.81161926 5.05613162 -11.12261182
0.00019058 0.00019872 -0.00007004
-0.03516421 -0.00449385 -0.02495052
-7.91769155 2.79463218 -8.93194780
0.00001377 -0.00026898 0.00022562
-0.02064972 0.00825871 -0.00405563
2.41552199 27.47848477 8.76630310
0.00022906 0.00008235 0.00020422
-0.01476471 0.00293876 0.01824273
9.60404500 -6.23656404 -1.78764398
-0.00033059 0.00007987 0.00005027
0.00192161 -0.00913124 0.00388816
-8.70566667 0.81512773 6.04052550
0.00003035 -0.00008879 0.00019490
-0.02568628 -0.02639063 0.03449277
20.41380207 10.85285633 8.78054821
0.00019825 -0.00000972 -0.00011005
0.00305112 0.01032962 -0.00026885
-2.06362830 -2.15421566 -27.47846918
0.00027963 -0.00017059 -0.00028083
0.03532682 -0.01846801 0.00087784
-14.27955996 6.14156892 7.88884286
0.00012894 -0.00001787 0.00030599
0.00933950 0.00395417 0.00642912
-9.58172984 7.25924969 -2.28874845
-0.00012535 -0.00013857 0.00049267
0.01008614 0.00988899 -0.01018043
-1.77538221 -15.29376713 23.36084953
0.00026820 0.00051980 -0.00039387
-0.02943519 0.00889101 0.00421618
-2.70952747 6.32948705 -6.16667477
-0.00005349 -0.00001476 0.00023145
0.03382894 -0.01361107 0.00153993
-20.22388243 30.56402061 4.16589030
-0.00019824 -0.00072487 -0.00004726
-0.02553492 -0.00118437 0.02491005
7.69407172 0.33333399 7.63225808
0.00020953 0.00030403 -0.00014905
-0.01109429 0.00926006 -0.01688016
5.75108051 11.48275334 -13.47177805
-0.00007304 -0.00032366 0.00006791
-0.02437398 -0.01927904 -0.03725172
15.54458408 2.75432987 -1.78146141
0.00004850 -0.00007714 0.00018808
0.00033586 0.01073597 -0.00414798
-4.42646878 13.24438269 -0.78956000
-0.00011643 -0.00032729 0.00005242
-0.00558290 0.00208214 -0.00722362
4.74000499 12.47151254 2.77811227
0.00011030 0.00025101 -0.00053752
-0.03303776 -0.02506572 0.01004797
25.06975129 -11.52720443 -9.92012265
0.00004047 0.00014365 -0.00008265
0.02726900 -0.01631494 0.01086653
16.72690610 -3.61160344 -0.69469892
0.00025945 0.00012571 -0.00017209
-0.02251626 -0.01465356 0.02269530
13.21206277 7.97402660 10.18806513
0.00047151 -0.00006681 0.00014161
-0.00421652 -0.02292611 0.01400076
1.62769531 -14.05306917 17.57793142
0.00024514 -0.00006899 -0.00014834
0.02687299 0.03303643 0.01424523
-3.83713896 -0.72009603 -14.18900705
0.00038648 -0.00002020 0.00017305
0.00171814 0.00749167 -0.05081741
15.02016988 -7.54030369 -8.86223123
-0.00010172 0.00019072 0.00005150
0.01945601 -0.00610225 -0.02636237
8.38036232 -7.04511945 8.90684755
-0.00006791 -0.00003307 0.00012491
0.00214952 0.00715821 0.00958068
-21.11169921 2.30621767 22.78983640
0.00010306 0.00008728 0.00021119
-0.01298285 0.00098491 0.03957952
25.69195781 -3.20568544 -8.15154965
0.00006569 0.00016919 -0.00015839
0.00059485 -0.00155445 -0.00009850
9.88889376 -13.94485832 -8.31691824
0.00004474 0.00007062 -0.00032943
0.00006558 0.02287058 -0.00121754
-6.73252920 -12.42430309 16.98170554
0.00005318 0.00015319 0.00007704
0.00087082 -0.00562780 -0.01235320
7.81085672 3.10729383 -29.32390693
-0.00036379 -0.00034639 0.00010281
-0.02432490 0.01378841 -0.00559731
10.99657282 15.53244342 15.38050722
0.00022827 0.00041236 0.00021479
0.00214607 0.00483870 0.02445256
28.72173911 6.23241606 -3.42927163
0.00012826 0.00017255 -0.00022320
-0.01234238 0.01491447 0.01679773
5.33188140 -31.66178350 -3.46049840
0.00008912 -0.00089120 -0.00017491
0.00691480 -0.00173245 0.00159221
4.66398677 -31.24452376 -0.47333398
0.00079249 -0.00008150 0.00018045
0.00075785 -0.01011061 0.00034365
-11.99776973 -3.36122159 -9.01238314
-0.00034593 0.00075908 -0.00074976
0.00916328 0.01303983 0.00182508
-12.44470548 -1.11568090 -10.77464097
0.00060293 0.00059830 0.00025667
0.00304839 0.00639537 -0.00013105
-38.97985579 2.03835560 1.18272734
-0.00009115 0.00035036 0.00067742
-0.01467891 0.00041499 0.00814150
-37.92826798 3.81361492 -0.89959654
0.00026391 -0.00081454 0.00069973
-0.00157134 0.00627768 -0.00250471
-10.67509364 -5.64406603 3.35807974
-0.00083439 0.00078139 -0.00016744
-0.00405398 0.01688741 0.00434922
-10.76371401 -2.63510579 3.81135209
-0.00015338 -0.00058678 0.00061504
0.00608197 -0.00701355 0.00188427
4.47214684 -2.30541990 8.34268885
-0.00081701 -0.00064707 0.00025902
-0.00126043 -0.02154357 0.00895352
3.96885571 -3.76526851 10.86686666
-0.00105624 -0.00068280 -0.00050802
0.00656190 -0.00419859 -0.01422848
-33.91542487 -1.38678737 -0.08769191
-0.00107476 0.00055869 0.00080822
0.00296900 -0.00031243 -0.00571816
-32.94781886 1.13238450 0.90429132
-0.00045372 0.00053935 -0.00056777
0.01315529 -0.02816857 -0.02850287
13.80617306 12.74944075 -15.39023937
-0.00140902 0.00058948 -0.00077470
0.00677574 0.00204548 -0.00143204
16.14545465 12.42883833 -13.62210059
-0.00117775 0.00066839 -0.00087339
0.02700114 -0.00457378 -0.00922415
-8.51137887 7.38527705 1.71528974
0.00055005 0.00055490 0.00036633
-0.00764161 0.01738031 -0.00525799
-7.39420240 4.97155367 1.30667863
0.00002113 0.00074438 0.00098221
0.00863712 -0.03409083 -0.02362720
6.09762630 12.39646487 -7.32011282
0.00053208 0.00023298 -0.00060144
0.01468520 -0.00094256 0.01229136
8.81307035 13.46967906 -6.63107451
-0.00059376 -0.00083626 0.00044588
0.00177110 0.00495886 0.00213742
8.48209917 8.62605245 -20.22240220
0.00027978 -0.00021117 0.00078139
0.00605894 -0.00385776 -0.00808355
10.22906588 11.00421848 -19.55186192
0.00053226 -0.00103667 0.00081829
0.00157127 -0.00639726 -0.00185790
24.09644992 15.75622183 -2.75850222
0.00060315 -0.00025227 -0.00037170
-0.01036545 -0.00012160 0.00550469
24.56925067 18.50532253 -2.61508822
-0.00120958 0.00090396 -0.00098675
-0.00643841 0.00131242 0.00143975
1.82767985 16.93483318 -21.38440940
-0.00050629 0.00044799 -0.00075684
-0.01866528 0.00364969 -0.03923135
3.52188066 15.69170625 -19.58880070
-0.00030194 0.00058921 0.00011154
0.01251321 -0.01843428 0.01366514
12.59300164 -1.31884804 -6.96736604
0.00068682 -0.00134120 -0.00089082
0.00559345 0.00507380 0.01191472
13.42369318 -0.88221612 -4.04503652
-0.00006112 0.00000324 -0.00059626
-0.01479492 -0.00595664 -0.00089489
-17.64600048 -2.09483506 2.55851560
0.00018434 0.00060290 0.00077050
0.01907121 0.01220935 0.01948000
-14.85003052 -2.71471382 2.84916783
-0.00093822 -0.00033751 -0.00089753
0.00399226 0.00599553 0.01315618
-16.74274289 -0.70584369 20.02861109
0.00006256 0.00002940 -0.00079991
0.01349612 -0.01115024 -0.01778078
-15.18024150 -3.22182573 19.80769538
0.00021651 0.00045142 -0.00004152
-0.01212161 0.01327095 -0.01501337
-0.49839128 0.43395073 -4.89138214
-0.00018985 0.00000472 -0.00015651
0.01191437 0.01013164 -0.00320367
-0.93264797 3.21123261 -4.95492928
-0.00078989 -0.00068049 -0.00012291
-0.00798281 0.02011949 -0.00458932
23.38703121 -8.77392539 -9.15270778
-0.00014447 0.00068374 -0.00014014
0.01927528 -0.00597861 -0.00325947
23.97106509 -5.79048812 -8.51111304
-0.00040522 0.00008433 0.00062212
0.01151493 -0.00105088 0.00176889
0.13860763 -6.28774775 5.69461341
-0.00055522 -0.00018429 -0.00041921
-0.00730589 0.00332972 -0.01664807
0.72778311 -6.38486102 8.32608673
0.00030013 -0.00051595 -0.00068311
-0.00166112 0.00990144 0.01352442
-0.50118616 -2.67061217 -19.49217483
0.00109975 -0.00000487 -0.00061981
0.01639489 -0.00602073 0.00948264
-2.96942812 -2.01843382 -20.50272356
0.00007203 -0.00000407 0.00063290
-0.01904655 0.00076416 -0.01033591
2.72175803 3.05217996 -10.60224998
0.00056093 0.00062725 0.00083746
0.00454071 -0.01965453 0.01463068
2.06370456 1.91329491 -7.83651037
-0.00073012 -0.00137246 0.00055973
-0.00633938 0.01051207 0.00348205
-2.08847792 16.65345109 12.29429821
0.00001671 -0.00022593 -0.00021692
-0.03653661 0.02106782 0.00688521
-3.70973925 18.55412967 13.92381283
-0.00038463 -0.00070577 0.00008846
0.01183662 0.01567315 0.01209910
-5.42932887 6.02455698 -11.11857843
-0.00149029 -0.00007796 0.00034357
0.01808620 0.00318699 -0.00262334
-4.29716551 3.73554225 -12.36733421
-0.00092100 -0.00069113 -0.00061307
0.02089242 0.00983217 0.01277722
-7.64083800 1.79647413 -7.43475879
-0.00037810 -0.00082664 -0.00065349
-0.00132480 -0.01007904 0.00519183
-6.29451683 3.29920654 -9.48278297
0.00096126 0.00019409 -0.00061216
0.01787464 0.00167385 0.00080172
2.95556990 28.00528771 7.14045360
0.00011020 -0.00097804 0.00067938
0.00706185 -0.00100507 -0.01847356
1.08542694 28.68629962 9.12204617
0.00025705 0.00088133 -0.00019353
0.00047028 -0.00694619 0.00460717
10.62066816 -7.41003438 -0.75947619
0.00015507 -0.00017919 0.00056661
-0.00676901 0.01056604 -0.00379164
8.45426118 -7.29754161 -2.74975253
-0.00037674 -0.00081554 0.00049695
0.00235226 0.00005086 0.00347096
-7.11870211 0.27120917 6.79969590
0.00022141 -0.00062876 0.00053635
0.01648791 0.00072576 -0.00416325
-9.86304226 -0.05327098 7.28436308
-0.00062768 0.00139860 -0.00006859
0.01128053 0.01779162 -0.02716282
21.48485467 10.65569104 10.25917882
-0.00093351 0.00112962 0.00048533
-0.00136799 0.00062981 -0.00254996
20.60494297 12.66654663 8.33980416
-0.00077458 0.00099966 -0.00023305
0.00181870 -0.01050780 -0.00191385
-1.03805768 -3.37268429 -26.40550627
-0.00008487 0.00120155 -0.00027634
-0.01587666 0.01126273 -0.01474945
-3.63824427 -2.04560805 -26.66992426
0.00110557 0.00005212 0.00057550
-0.02990348 0.00203907 0.01703165
-13.77298893 7.27070999 9.23721227
0.00043832 -0.00021669 0.00017446
0.00792680 -0.00858328 0.00828540
-15.44159988 7.30704872 7.15268612
0.00031378 0.00026582 0.00057282
-0.00925869 0.00352985 -0.01532967
-11.26801066 7.85113876 -2.57204383
0.00027359 0.00052512 0.00075590
-0.01039834 -0.00476887 0.00013317
-8.57333195 8.24694810 -3.59813506
-0.00094828 -0.00003868 -0.00004447
-0.01203555 -0.01221185 0.01513418
-1.04596893 -16.87926354 22.89638372
-0.00039109 -0.00013298 -0.00079899
0.00792015 -0.01780327 -0.00705093
-3.59190080 -15.63782783 23.66852323
-0.00131899 -0.00066154 -0.00025581
0.02265541 0.00596968 0.00099445
-2.51958648 6.40018573 -7.96154535
-0.00105930 0.00017161 -0.00012086
0.00388481 -0.00650014 -0.01278714
-4.39773884 6.75258269 -5.93634285
0.00013417 -0.00075352 0.00026967
-0.03958918 0.01355970 0.01312780
-21.53044920 29.70258500 3.03377380
-0.00103007 -0.00029547 -0.00014518
0.01018078 0.02007732 0.01884900
-21.16116276 31.01467555 5.77564250
-0.00063942 -0.00027791 0.00011204
0.00974850 -0.00574881 -0.03713360
6.85833021 0.07460834 5.96110074
-0.00059183 0.00065581 -0.00065590
0.01240602 -0.01669938 0.01035514
7.38411782 2.12325753 7.72725964
-0.00079725 0.00029342 -0.00052752
0.00340354 0.01084336 0.01613998
7.12350881 12.79596192 -13.50330939
0.00009742 0.00024130 0.00168590
-0.00278547 -0.00230702 -0.00223894
4.59970722 11.79866471 -14.95702046
0.00120249 -0.00010497 0.00075609
0.02772379 -0.00418082 0.03155233
14.29378015 3.78800562 -2.66880797
-0.00019548 0.00032513 0.00104838
0.00534961 -0.00267192 0.00539932
14.86358678 1.06356193 -1.86020117
0.00014174 0.00083040 0.00070014
0.00316049 0.00711215 0.00623245
-2.72421409 12.76782042 -0.36950505
-0.00061112 -0.00098121 0.00061030
-0.00278822 -0.00197220 0.00657709
-5.58619924 13.02676862 0.66435770
0.00031926 -0.00005406 0.00005290
0.01159052 -0.00426151 -0.00601555
3.29402693 11.16982010 3.15933967
-0.00069270 0.00062501 -0.00104865
0.03405326 0.02340023 -0.01095385
6.31854187 11.44961248 2.97972805
0.00012453 -0.00111557 0.00032828
-0.00584893 0.00784572 0.00156217
25.29555347 -12.46968928 -8.35108004
-0.00006306 -0.00025405 0.00015612
-0.00799857 -0.00137672 -0.00514757
26.74136335 -11.69343051 -10.94557959
0.00007146 0.00033548 -0.00048120
-0.03800549 0.01259696 0.00518838
15.07694967 -3.34403501 0.19255094
0.00125559 0.00116008 0.00099287
0.02669956 -0.00049817 -0.01688789
16.99005278 -5.47978888 -0.56794907
-0.00025500 0.00084141 -0.00026206
0.00095839 0.01875142 -0.00677208
12.18129141 7.82934289 11.79500990
-0.00088905 -0.00025475 0.00012720
0.01520797 0.01524444 -0.02555064
13.45322506 9.74209220 9.69845131
-0.00025225 -0.00029098 -0.00041412
-0.00320630 -0.00339854 0.00435477
-0.05527352 -14.68030823 17.36519343
-0.00021597 0.00038186 0.00052695
-0.01817311 -0.00405585 -0.00292137
1.49315395 -12.44337275 18.52423939
-0.00011803 -0.00066016 0.00041675
0.00337414 -0.02141384 -0.01068262
-4.00496960 -2.10532432 -13.04792779
-0.00006045 0.00117405 0.00043423
0.00416022 -0.01513765 0.00830770
-3.22241375 -1.37552791 -15.90715627
0.00068750 -0.00103994 0.00005101
-0.00826894 0.01187403 0.04124557
14.75870605 -8.26902588 -10.60489091
0.00017400 0.00004960 -0.00002512
-0.00000282 0.01954364 0.02969887
16.39699897 -6.03750996 -9.05907805
-0.00010672 0.00017609 0.00097183
-0.01992535 -0.03180572 -0.01046647
6.85338236 -6.09264596 8.48449982
0.00090499 0.00011973 -0.00076470
-0.00015217 0.01283540 0.00503579
9.62723881 -6.58366905 7.70576654
-0.00053402 0.00007236 0.00083769
0.01094665 0.00838107 -0.01261519
-21.77989395 2.00308633 21.16997458
0.00025427 -0.00008157 -0.00037389
0.00002630 -0.00191409 -0.03760889
-22.40469532 1.44554061 23.85575918
-0.00015383 0.00045560 -0.00037572
0.01792430 0.00131010 -0.00465468
26.73192552 -2.96076587 -6.67788085
0.00007465 -0.00010132 -0.00024137
0.00516019 0.00124188 0.00520094
25.27632452 -1.51512782 -8.74222497
-0.00004368 0.00039109 -0.00065627
-0.00030846 0.00781814 -0.00108190
9.83249030 -15.62187128 -7.75365002
0.00085257 0.00022647 -0.00060369
-0.00499336 -0.03564889 0.00854310
9.36332602 -12.96836093 -6.85433995
0.00033225 0.00039132 -0.00027470
-0.00341629 0.00538645 -0.00701117
-5.98732109 -11.36318264 18.24066827
-0.00012089 -0.00039597 -0.00058199
0.00902184 0.01387732 0.00717114
-6.99383218 -11.41494699 15.47914476
0.00051886 0.00036501 0.00009657
0.00005046 0.00594950 0.00210408
8.33058195 1.40443382 -29.44317290
-0.00029994 0.00021607 -0.00047434
0.01731829 -0.02128076 0.00053674
6.05175798 2.95602690 -29.96363859
-0.00071338 -0.00151879 -0.00058130
0.01070715 0.00283123 -0.00135784
12.76726665 15.10315547 14.56905728
0.00036171 -0.00114032 -0.00078814
-0.01315591 0.00733487 0.00532348
11.21899069 15.93903541 17.22289934
-0.00003374 0.00026037 -0.00070559
-0.00038495 -0.00379897 -0.03207672
29.28412046 4.90914343 -4.54984128
0.00027404 0.00031346 -0.00033188
0.00087979 -0.00730338 -0.01122199
26.95093488 6.64899950 -3.85695818
-0.00028338 0.00101380 0.00035806
0.01139329 -0.00288226 0.00128044
-9.94643582 4.89585623 6.58680735
-0.00001912 0.00016883 -0.00022984
-0.00078043 0.01169983 0.00245199
-8.77105704 13.34788586 2.59470986
-0.00011514 0.00005957 0.00000026
-0.00493026 -0.00239225 0.00252773
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09485037
0.32650752
435.05490006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3642764939 (a.u.)
total exchange computation time: 2.6991679668 s
-154.2552059575
-931.41763472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3642498427 (a.u.)
total exchange computation time: 2.6985700130 s
-154.2565778038
Anderson extrapolation: theta=1.3512799950 (1.3512799950)
-931.41780949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3641281414 (a.u.)
total exchange computation time: 2.7020039558 s
-154.2590322767
Anderson extrapolation: theta=0.0517444173 (0.0517444173)
-931.41791348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3640516782 (a.u.)
total exchange computation time: 2.6981089115 s
-154.2596752621
Anderson extrapolation: theta=1.9099639856 (1.9099639856)
-931.41791715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3638801228 (a.u.)
total exchange computation time: 2.6973328590 s
-154.2610342743
Anderson extrapolation: theta=0.2167641533 (0.2167641533)
-931.41792077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3638327529 (a.u.)
total exchange computation time: 2.6994249821 s
-154.2613478439
Anderson extrapolation: theta=1.8594993592 (1.8594993592)
-931.41792135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3637577663 (a.u.)
total exchange computation time: 2.6983571053 s
-154.2617861037
Anderson extrapolation: theta=0.2936194219 (0.2936194219)
-931.41792191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3637499412 (a.u.)
total exchange computation time: 2.6975049973 s
-154.2617726571
Anderson extrapolation: theta=1.3156684113 (1.3156684113)
-931.41792200
-72.323818 68.014835 97.677668
559.006659 1031.410793 -410.085597
486.682840 1099.425627 -312.407929
1242.254246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3637506101 (a.u.)
total exchange computation time: 2.6975400448 s
678.75133192
-1083.37157938
89.88514701
-389.46344711
-174.85562384
78.12153929
551.60419304
0.00000000
-931.41792200
4.06386852 -31.18808680 -2.22058182
0.00003683 -0.00048823 0.00005071
-0.01393048 0.00807162 -0.00477131
-11.48201700 -1.57277649 -9.29227009
-0.00010767 0.00027451 -0.00014457
-0.02140516 -0.02803148 -0.00397419
-37.52137740 2.41689886 0.21956611
-0.00004635 0.00004394 -0.00000653
0.01786831 -0.00457905 -0.00554171
-11.71593048 -4.19245353 3.95684678
0.00006952 -0.00010532 0.00011863
-0.00748662 -0.00490717 0.00021555
4.13689951 -4.02056898 9.01554673
-0.00019315 0.00000074 -0.00038736
0.00014949 0.01194285 0.00028960
-32.42721836 -0.33953759 -0.20344073
-0.00058207 0.00014478 0.00041831
-0.02081728 0.01942261 0.03055490
14.36437217 12.49969338 -13.64645710
-0.00001398 -0.00016065 0.00045902
-0.03838281 0.00724663 -0.00888457
-7.73221809 6.06627688 2.65950735
-0.00003179 -0.00005350 -0.00002882
-0.00219979 0.01971316 0.03571217
7.40459647 12.34561295 -5.99860490
-0.00030355 -0.00029574 -0.00028720
-0.01498423 -0.00292661 -0.01233303
8.81874695 9.93335623 -19.02198342
0.00001546 0.00003523 -0.00025618
-0.00224791 -0.00076943 0.01202209
23.17146947 17.32960100 -2.25748015
-0.00012949 0.00006568 -0.00017360
0.02736196 -0.00483684 -0.01557583
2.10844146 16.81344021 -19.63907790
0.00001135 -0.00006880 0.00002992
-0.00398412 0.01921567 0.02848627
13.98321533 -1.01500910 -5.75746538
-0.00008608 0.00028268 -0.00008631
0.01472206 -0.00480687 -0.00959294
-16.04456961 -1.35573914 3.25325897
-0.00003938 -0.00002840 -0.00001205
-0.02778178 -0.02907883 -0.02351886
-16.33110468 -2.11660406 18.82715575
0.00055083 -0.00036832 -0.00009948
-0.00160205 0.00254757 0.03132149
0.47735691 2.09094334 -4.79855429
0.00019065 0.00016345 0.00026382
-0.01039493 -0.02867979 0.00135952
22.75335872 -7.11015960 -8.81844979
0.00017027 -0.00001361 0.00003142
-0.04132572 0.01366840 -0.00113201
-0.76652750 -6.31227784 7.27691443
-0.00004276 -0.00002602 0.00012813
0.00902308 -0.01086394 0.00068494
-1.74288476 -1.36585424 -19.33334404
-0.00014638 0.00000326 -0.00004702
0.00232279 -0.00181983 0.00632994
3.19071581 1.76440708 -9.29164457
-0.00005397 -0.00025336 -0.00001557
-0.00379341 0.01496855 -0.00935614
-3.77290315 17.73347356 12.31352186
0.00034431 -0.00006245 0.00005125
0.03605673 -0.02687523 -0.01385614
-3.80889621 5.05909505 -11.12375870
0.00017024 0.00019591 -0.00008404
-0.04394951 -0.00643846 -0.02948131
-7.91756462 2.79062928 -8.92857913
0.00000537 -0.00026332 0.00022173
-0.01202697 0.01378082 -0.01108752
2.41890090 27.47973134 8.76943676
0.00022038 0.00008395 0.00021527
-0.01898191 0.00327529 0.02473529
9.59909360 -6.23540123 -1.78687489
-0.00032934 0.00007401 0.00005271
0.00293136 -0.01364479 0.00558802
-8.70531056 0.81369406 6.04358205
0.00001830 -0.00010207 0.00021243
-0.02117098 -0.02524404 0.03365925
20.41678754 10.85275033 8.77889635
0.00019953 -0.00000298 -0.00011094
0.00192910 0.01588095 -0.00318521
-2.05929757 -2.15684577 -27.48267820
0.00029745 -0.00017912 -0.00028124
0.03397216 -0.01469183 -0.00248467
-14.27758978 6.14131608 7.89345748
0.00013374 -0.00001596 0.00030910
0.00929337 0.00346737 0.00567534
-9.58357114 7.25720930 -2.28139768
-0.00011988 -0.00013341 0.00048724
0.01115943 0.01018334 -0.01092861
-1.77147274 -15.28593580 23.35495770
0.00025065 0.00052281 -0.00039159
-0.03883177 0.00282034 0.00466180
-2.71019939 6.32921314 -6.16319711
-0.00003558 -0.00002182 0.00023149
0.03583393 -0.01383083 -0.00137059
-20.22695448 30.55314294 4.16527753
-0.00021202 -0.00072542 -0.00003431
-0.02804695 -0.00093975 0.02544354
7.69717181 0.33793012 7.62995715
0.00020316 0.00030908 -0.00015878
-0.01367463 0.01039504 -0.02095209
5.74989090 11.47782405 -13.47090314
-0.00008362 -0.00033335 0.00005043
-0.01675387 -0.01839402 -0.03071181
15.54531289 2.75321424 -1.77865617
0.00004938 -0.00006995 0.00018610
0.00306803 0.01721535 -0.00355565
-4.42823676 13.23948138 -0.78880160
-0.00011922 -0.00032613 0.00004849
-0.00525790 0.00241958 -0.00804790
4.74153207 12.47518097 2.77008816
0.00009404 0.00023722 -0.00053210
-0.03020606 -0.02854802 0.01104279
25.07046348 -11.52511266 -9.92132046
0.00005455 0.00013498 -0.00007651
0.02748323 -0.01740420 0.01301167
16.73071099 -3.60977436 -0.69719269
0.00024807 0.00011947 -0.00016059
-0.02173896 -0.00960469 0.02203134
13.21911919 7.97293608 10.19024325
0.00046877 -0.00007909 0.00014950
-0.00645943 -0.02482503 0.01668857
1.63147600 -14.05397652 17.57576122
0.00025823 -0.00005245 -0.00014117
0.02404088 0.03125219 0.01366386
-3.83133510 -0.72037018 -14.18660729
0.00038767 -0.00001551 0.00014551
0.00288987 0.01077739 -0.05630209
15.01871909 -7.53746636 -8.86156045
-0.00009178 0.00018744 0.00003810
0.01919626 -0.00667187 -0.02572956
8.37935196 -7.04558793 8.90875808
-0.00006737 -0.00002999 0.00013096
-0.00004298 0.00481945 0.01397492
-21.11020332 2.30753067 22.79315699
0.00009619 0.00008779 0.00022997
-0.01373387 0.00098711 0.03341287
25.69294549 -3.20315366 -8.15392586
0.00006562 0.00016887 -0.00015883
-0.00085952 0.00034215 -0.00163579
9.88956505 -13.94371081 -8.32186436
0.00004475 0.00008290 -0.00033016
-0.00001596 0.02489795 -0.00160851
-6.73172813 -12.42202695 16.98281350
0.00005279 0.00014941 0.00006939
-0.00238010 -0.00907558 -0.01739369
7.80530599 3.10215121 -29.32238633
-0.00037751 -0.00033865 0.00009955
-0.02902778 0.01630686 -0.00709707
11.00000515 15.53864755 15.38382332
0.00022950 0.00041419 0.00022547
0.00263875 0.00225067 0.01711678
28.72361543 6.23506192 -3.43255490
0.00012146 0.00018050 -0.00021458
-0.01410844 0.01598278 0.01674023
5.33343014 -31.67520452 -3.46307331
0.00011384 -0.00089674 -0.00016584
0.00518614 -0.00098156 0.00284929
4.67589735 -31.24605608 -0.47061662
0.00079334 -0.00012252 0.00017830
-0.00034075 -0.00996968 -0.00139879
-12.00267785 -3.34943589 -9.02357354
-0.00031010 0.00080605 -0.00074063
0.00837266 0.00995402 0.00264409
-12.43556811 -1.10651040 -10.77079492
0.00061069 0.00062748 0.00024820
0.00074990 0.00788817 -0.00401721
-38.98167284 2.04362374 1.19313809
-0.00014555 0.00035342 0.00070673
-0.01195251 0.00108030 0.00620635
-37.92435745 3.80158923 -0.88917727
0.00025366 -0.00077580 0.00067895
-0.00344640 0.01268328 -0.00767112
-10.68773373 -5.63182764 3.35570147
-0.00084374 0.00084022 -0.00015351
-0.00052382 0.01190952 0.00246721
-10.76582835 -2.64412244 3.82063549
-0.00012436 -0.00060765 0.00062195
0.00812363 -0.00320361 0.00149518
4.45985308 -2.31578613 8.34684858
-0.00081986 -0.00072310 0.00029079
-0.00013650 -0.01567352 0.00659470
3.95321313 -3.77563912 10.85881036
-0.00102913 -0.00069932 -0.00056436
0.00671250 -0.00389052 -0.01334950
-33.93145530 -1.37841663 -0.07574381
-0.00105981 0.00055877 0.00078435
0.00435073 0.00035042 -0.00596806
-32.95422147 1.13961161 0.89490136
-0.00040096 0.00042712 -0.00068110
0.01267011 -0.02677080 -0.02697306
13.78524538 12.75834562 -15.40190369
-0.00137426 0.00059469 -0.00075895
0.01023814 0.00050539 0.00914195
16.12861578 12.43872405 -13.63548404
-0.00104539 0.00064901 -0.00091097
0.03778857 -0.00491195 -0.00917164
-8.50336226 7.39413312 1.72062358
0.00051945 0.00062504 0.00034494
-0.00734018 0.01695607 -0.00521462
-7.39362074 4.98167469 1.32068773
0.00006020 0.00059143 0.00086858
0.01048587 -0.04077763 -0.03199224
6.10605758 12.39993065 -7.32875775
0.00058731 0.00022854 -0.00055446
0.01234911 -0.00123180 0.01070267
8.80421828 13.45728711 -6.62432085
-0.00058084 -0.00081101 0.00045267
0.00455106 0.00739968 0.00118837
8.48648153 8.62276669 -20.21092908
0.00030329 -0.00023358 0.00074222
0.00544980 -0.00711208 -0.01108820
10.23709788 10.98847245 -19.53964447
0.00054388 -0.00105807 0.00080795
0.00411623 -0.00408031 -0.00320383
24.10517950 15.75243410 -2.76390909
0.00055819 -0.00024622 -0.00034685
-0.01164361 0.00308215 0.00666093
24.55090970 18.51892219 -2.62984528
-0.00123398 0.00090835 -0.00098052
-0.00550458 0.00083569 0.00160747
1.81951346 16.94166482 -21.39696421
-0.00057873 0.00046093 -0.00090097
-0.01678996 0.00268839 -0.03132005
3.51773506 15.69997945 -19.58670880
-0.00024307 0.00050799 0.00016633
0.01630136 -0.02132278 0.01315265
12.60347538 -1.33881060 -6.98036318
0.00071071 -0.00131927 -0.00083915
0.00609901 0.00566190 0.01337862
13.42232295 -0.88235006 -4.05400787
-0.00012473 -0.00002075 -0.00059212
-0.01633928 -0.00578563 0.00292280
-17.64265104 -2.08541740 2.57066996
0.00025360 0.00064987 0.00084627
0.01483485 0.01078354 0.01761409
-14.86398150 -2.71959280 2.83610808
-0.00091929 -0.00031373 -0.00084335
0.00527522 0.00564751 0.01336297
-16.74139099 -0.70574438 20.01606758
0.00011785 -0.00001617 -0.00087171
0.01357165 -0.01115828 -0.01736420
-15.17736532 -3.21464775 19.80661252
0.00017253 0.00049978 -0.00009835
-0.00940466 0.01040283 -0.01280393
-0.50087390 0.43433199 -4.89382793
-0.00013818 0.00004733 -0.00016901
0.01337593 0.01072463 -0.00291621
-0.94474100 3.20164181 -4.95691356
-0.00081805 -0.00059921 -0.00014142
-0.00579862 0.01966584 -0.00447274
23.38545484 -8.76385252 -9.15490974
-0.00006121 0.00064894 -0.00015510
0.02147869 -0.01105638 -0.00406433
23.96533957 -5.78925534 -8.50172703
-0.00035570 0.00008196 0.00062960
0.01272590 -0.00010821 0.00189052
0.13005547 -6.29041002 5.68781507
-0.00058690 -0.00017074 -0.00048404
-0.00820050 0.00330341 -0.01508608
0.73223419 -6.39229683 8.31625450
0.00029542 -0.00047560 -0.00062637
-0.00064701 0.00985019 0.01425147
-0.48418753 -2.67086977 -19.50118140
0.00115537 -0.00001867 -0.00058015
0.01083383 -0.00073457 0.00993154
-2.96893126 -2.01847139 -20.49354676
-0.00001075 -0.00000462 0.00058520
-0.02147899 -0.00103345 -0.01301460
2.73031109 3.06098643 -10.58923976
0.00057777 0.00054814 0.00089527
0.00370116 -0.01907083 0.01366984
2.05255853 1.89303020 -7.82800775
-0.00074932 -0.00132852 0.00056559
-0.00306129 0.01099661 -0.00061370
-2.08934688 16.65070770 12.29125539
-0.00013091 -0.00014000 -0.00018805
-0.03572600 0.02099840 0.00724934
-3.71514595 18.54402336 13.92551041
-0.00033518 -0.00063997 0.00014124
0.01236689 0.01653863 0.01373963
-5.45112904 6.02348521 -11.11350523
-0.00140370 -0.00007093 0.00033230
0.02430003 0.00025447 -0.00289644
-4.31034034 3.72547657 -12.37613878
-0.00083087 -0.00064038 -0.00055141
0.02323036 0.01501058 0.01740770
-7.64655015 1.78376563 -7.44440207
-0.00038116 -0.00087139 -0.00062615
-0.00017229 -0.01182301 0.00819070
-6.27955017 3.30216914 -9.49194078
0.00101465 0.00019369 -0.00060049
0.00825746 -0.00186621 0.00491081
2.95743933 27.99058639 7.15007820
0.00014303 -0.00097844 0.00059188
0.00900761 0.00080759 -0.02435917
1.08929718 28.69930677 9.11928435
0.00026374 0.00084874 -0.00017571
0.00280408 -0.00900951 0.00411792
10.62278683 -7.41239850 -0.75109325
0.00012273 -0.00013002 0.00054609
-0.00906338 0.01350411 -0.00625121
8.44868214 -7.30977311 -2.74219191
-0.00036436 -0.00081174 0.00051312
0.00370614 0.00180788 0.00444626
-7.11487577 0.26180001 6.80761352
0.00028208 -0.00062409 0.00051698
0.01321010 0.00156068 -0.00531502
-9.87211181 -0.03174677 7.28250187
-0.00058397 0.00146741 -0.00017549
0.01011497 0.01589125 -0.02516464
21.47081018 10.67265458 10.26638063
-0.00093613 0.00113117 0.00047823
0.00008170 0.00013268 -0.00092606
20.59338005 12.68121953 8.33624984
-0.00076748 0.00094617 -0.00023861
0.00165693 -0.01567753 -0.00081159
-1.03981730 -3.35431597 -26.41010333
-0.00014287 0.00123898 -0.00033147
-0.01251204 0.00706365 -0.01223553
-3.62257711 -2.04476373 -26.66076988
0.00097833 0.00006167 0.00064667
-0.03238091 0.00263419 0.01780512
-13.76617119 7.26719661 9.24008301
0.00047114 -0.00025078 0.00020997
0.00813653 -0.00810407 0.00910065
-15.43717691 7.31114422 7.16080865
0.00027529 0.00028047 0.00051006
-0.00958037 0.00363945 -0.01538910
-11.26422546 7.85886950 -2.56070118
0.00022704 0.00050575 0.00075703
-0.01238758 -0.00471635 0.00041686
-8.58792501 8.24599371 -3.59833842
-0.00099462 -0.00008894 0.00001789
-0.01064720 -0.01239241 0.01539472
-1.05159252 -16.88180381 22.88418275
-0.00036006 -0.00019882 -0.00082592
0.00726785 -0.01442468 -0.00613052
-3.61099145 -15.64756807 23.66471660
-0.00120610 -0.00063153 -0.00025468
0.03260335 0.00872145 -0.00044109
-2.53535697 6.40256064 -7.96375003
-0.00104234 0.00014469 -0.00016897
0.00441722 -0.00667566 -0.01076298
-4.39693946 6.74169546 -5.93189551
-0.00003284 -0.00069750 0.00032534
-0.04216039 0.01386094 0.01412149
-21.54558835 29.69876815 3.03217376
-0.00098543 -0.00021261 -0.00006669
0.01167351 0.02048396 0.01956773
-21.17045528 31.01033069 5.77618516
-0.00059674 -0.00030222 -0.00004248
0.01114281 -0.00614943 -0.03850231
6.84983293 0.08393384 5.95157952
-0.00053659 0.00058682 -0.00060629
0.01463356 -0.01707607 0.01393221
7.37226337 2.12799106 7.71984136
-0.00078203 0.00033581 -0.00046034
0.00404543 0.00991035 0.01674664
7.12488469 12.79951068 -13.47808946
0.00008215 0.00022815 0.00167533
-0.00468629 -0.00412717 -0.00293718
4.61859415 11.79696199 -14.94471226
0.00130499 -0.00011953 0.00087211
0.02245156 -0.00294514 0.02523995
14.29101188 3.79280067 -2.65291680
-0.00017388 0.00031414 0.00106976
0.00522609 -0.00270777 0.00506732
14.86580978 1.07623587 -1.84950806
0.00014893 0.00084552 0.00072440
0.00035767 0.00028741 0.00564329
-2.73346639 12.75304186 -0.36014905
-0.00061943 -0.00098966 0.00063659
-0.00127963 -0.00216350 0.00629521
-5.58105519 13.02582714 0.66496688
0.00036329 -0.00007155 0.00003039
0.00996179 -0.00429968 -0.00500555
3.28467988 11.17991227 3.14327420
-0.00055172 0.00072144 -0.00109272
0.03495877 0.02380620 -0.01061884
6.32023053 11.43311942 2.98470016
0.00009385 -0.00107755 0.00033287
-0.00916622 0.01076333 0.00068190
25.29436248 -12.47354219 -8.34889592
-0.00009581 -0.00025660 0.00013010
-0.00803287 0.00012669 -0.00759158
26.74127068 -11.68801235 -10.95263853
-0.00008456 0.00038614 -0.00045910
-0.03837090 0.01220457 0.00562769
15.09660162 -3.32664902 0.20692652
0.00136141 0.00115736 0.00092416
0.02510092 -0.00083512 -0.01674855
16.98625717 -5.46659312 -0.57208744
-0.00024999 0.00090841 -0.00028869
0.00149105 0.01404730 -0.00626627
12.16842175 7.82598881 11.79613489
-0.00082254 -0.00019094 0.00001769
0.01734729 0.01599135 -0.02805503
13.44934299 9.73762341 9.69237297
-0.00026453 -0.00030248 -0.00039628
-0.00280140 -0.00223096 0.00437854
-0.05906998 -14.67470461 17.37300819
-0.00028601 0.00036485 0.00051435
-0.01611018 -0.00427007 -0.00324829
1.49148697 -12.45393129 18.53016326
-0.00010276 -0.00074369 0.00037471
0.00409753 -0.01947446 -0.00989683
-4.00574892 -2.08817745 -13.04115975
-0.00004443 0.00110314 0.00047540
0.00368188 -0.01957505 0.01184582
-3.21235458 -1.39076316 -15.90512719
0.00065206 -0.00098900 0.00022332
-0.00908306 0.01306043 0.04309990
14.76131600 -8.26768304 -10.60435765
0.00017452 0.00012950 0.00009546
0.00025844 0.01956671 0.02932627
16.39478756 -6.03584326 -9.04482133
-0.00018839 0.00004589 0.00092711
-0.02005374 -0.03192810 -0.01142556
6.86695254 -6.09045676 8.47318360
0.00089718 0.00017457 -0.00074410
-0.00367282 0.01400921 0.00505151
9.61956388 -6.58232684 7.71794534
-0.00047801 0.00010843 0.00077761
0.01647183 0.00927322 -0.01679608
-21.77607906 2.00180415 21.16321385
0.00025872 -0.00008742 -0.00051822
0.00214859 -0.00095169 -0.03304323
-22.40645345 1.45241474 23.84998069
-0.00008341 0.00045899 -0.00039164
0.01654310 0.00034944 -0.00313634
26.73320344 -2.96224756 -6.68134196
0.00009658 -0.00009533 -0.00021937
0.00557195 0.00168620 0.00556698
25.27565985 -1.50902196 -8.75210222
-0.00004265 0.00041769 -0.00065834
0.00081310 0.00520288 0.00006932
9.84512578 -15.61956657 -7.76244355
0.00083163 0.00007802 -0.00056656
-0.00525382 -0.03702191 0.00962957
9.36820514 -12.96232605 -6.85867525
0.00031857 0.00041124 -0.00030449
-0.00328452 0.00436558 -0.00757378
-5.98885794 -11.36869690 18.23215818
-0.00007834 -0.00033176 -0.00054235
0.01180421 0.01755108 0.01223108
-6.98604769 -11.40928957 15.48065773
0.00051893 0.00038824 0.00010530
-0.00001891 0.00542480 0.00217212
8.32661350 1.40702283 -29.45027158
-0.00022511 0.00012175 -0.00047200
0.01931177 -0.02489299 0.00060956
6.04138541 2.93333176 -29.97239963
-0.00066388 -0.00150451 -0.00058367
0.01352167 0.00416010 0.00019674
12.77228921 15.08627549 14.55739838
0.00030448 -0.00110678 -0.00076238
-0.01486186 0.00907903 0.00728455
11.21847283 15.94282447 17.21133249
-0.00003298 0.00024704 -0.00082520
0.00075731 -0.00272283 -0.02647180
29.28825803 4.91362159 -4.55516336
0.00027559 0.00028423 -0.00037764
-0.00011995 -0.00700459 -0.01117655
26.94703328 6.66411815 -3.85154809
-0.00023124 0.00099909 0.00036312
0.01413223 -0.00431722 0.00119925
-9.94672466 4.89842004 6.58336637
-0.00001938 0.00017298 -0.00022895
-0.00071990 0.01148558 0.00250101
-8.77279273 13.34877517 2.59471810
-0.00011628 0.00005898 0.00000089
-0.00488759 -0.00266515 0.00293610
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09492759
0.32299442
430.37386809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3694472423 (a.u.)
total exchange computation time: 2.6911039352 s
-154.2740065587
-931.41288941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3693460032 (a.u.)
total exchange computation time: 2.6920099258 s
-154.2760633161
Anderson extrapolation: theta=1.3655835137 (1.3655835137)
-931.41307480
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3691320235 (a.u.)
total exchange computation time: 2.6912400723 s
-154.2794404267
Anderson extrapolation: theta=0.0567746751 (0.0567746751)
-931.41318693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3690599985 (a.u.)
total exchange computation time: 2.6898839474 s
-154.2801100444
Anderson extrapolation: theta=1.9840012987 (1.9840012987)
-931.41319131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3689022620 (a.u.)
total exchange computation time: 2.6914269924 s
-154.2815075451
Anderson extrapolation: theta=0.2207241612 (0.2207241612)
-931.41319581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3688669287 (a.u.)
total exchange computation time: 2.6905159950 s
-154.2817764198
Anderson extrapolation: theta=1.7732590096 (1.7732590096)
-931.41319656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3688229642 (a.u.)
total exchange computation time: 2.6921107769 s
-154.2820721254
Anderson extrapolation: theta=0.2815880994 (0.2815880994)
-931.41319727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3688283830 (a.u.)
total exchange computation time: 2.6942038536 s
-154.2819901501
Anderson extrapolation: theta=1.3325914277 (1.3325914277)
-931.41319741
-72.406089 68.056494 97.602992
558.977600 1031.417225 -410.077040
486.571511 1099.473719 -312.474047
1242.269828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3688473668 (a.u.)
total exchange computation time: 2.6913800240 s
678.83888832
-1083.56291787
89.88007844
-389.33038355
-174.87001542
78.22879641
551.60419304
0.00000000
-931.41319745
4.06436729 -31.19537905 -2.21983964
0.00003032 -0.00048424 0.00004835
-0.01140758 0.00742635 -0.00439201
-11.48371462 -1.56876698 -9.29445400
-0.00011784 0.00026058 -0.00014584
-0.01812512 -0.02613074 -0.00094488
-37.52200375 2.41754035 0.21944684
-0.00003748 0.00003974 -0.00000750
0.01663032 -0.01177448 0.00174654
-11.71491652 -4.19405229 3.95862706
0.00006410 -0.00010738 0.00011942
-0.01360434 -0.00308616 0.00287519
4.13400281 -4.02051182 9.00973751
-0.00019341 0.00000512 -0.00038683
-0.00114757 0.00507628 0.00173499
-32.43602966 -0.33729096 -0.19704817
-0.00059282 0.00015410 0.00043355
-0.02101701 0.01681016 0.02869424
14.36401443 12.49731153 -13.63960605
-0.00003703 -0.00015644 0.00045203
-0.05126976 0.00912147 -0.01828945
-7.73270348 6.06555038 2.65921281
-0.00003349 -0.00004165 -0.00000870
-0.00438828 0.02638908 0.04254728
7.39998544 12.34116553 -6.00296052
-0.00031125 -0.00029779 -0.00029289
-0.01496747 -0.00505690 -0.00976852
8.81897013 9.93388175 -19.02577981
0.00001370 0.00003503 -0.00024899
-0.00459509 -0.00001271 0.01597152
23.16963261 17.33056755 -2.26014426
-0.00011521 0.00006244 -0.00018167
0.02819633 -0.00775183 -0.01579368
2.10859632 16.81248226 -19.63851915
0.00000789 -0.00005799 0.00004241
-0.00945741 0.02282678 0.02005617
13.98198085 -1.01078745 -5.75879697
-0.00007821 0.00028001 -0.00009244
0.01589091 -0.00556832 -0.01427886
-16.04526747 -1.35627737 3.25298750
-0.00005273 -0.00004274 -0.00002365
-0.02414962 -0.02667530 -0.02157401
-16.32284834 -2.12211897 18.82578434
0.00054920 -0.00036626 -0.00008429
-0.00474747 0.00546151 0.02773770
0.48017658 2.09328451 -4.79459177
0.00018430 0.00014878 0.00026436
-0.01428271 -0.02837246 0.00073139
22.75575330 -7.11031110 -8.81798287
0.00014831 -0.00000562 0.00003102
-0.04404044 0.01741393 -0.00041405
-0.76713404 -6.31271011 7.27883895
-0.00003811 -0.00003159 0.00012785
0.00902516 -0.01079609 -0.00173890
-1.74507155 -1.36581235 -19.33402487
-0.00014320 0.00000141 -0.00004327
0.01005674 -0.00539401 0.00825548
3.18989158 1.76066449 -9.29191427
-0.00005654 -0.00024595 -0.00001898
-0.00617323 0.01382978 -0.00388360
-3.76759942 17.73243310 12.31423724
0.00036235 -0.00007621 0.00004386
0.03411425 -0.02663720 -0.01491960
-3.80651221 5.06200882 -11.12513303
0.00014566 0.00019216 -0.00010014
-0.05162106 -0.00812463 -0.03312421
-7.91753047 2.78673270 -8.92529598
0.00000129 -0.00025490 0.00021437
-0.00385141 0.01893048 -0.01754052
2.42213338 27.48100318 8.77276124
0.00020967 0.00008574 0.00022945
-0.02264891 0.00370338 0.03038954
9.59416482 -6.23434370 -1.78606269
-0.00032764 0.00006594 0.00005595
0.00368677 -0.01772747 0.00699981
-8.70511778 0.81206564 6.04689827
0.00000874 -0.00011469 0.00022938
-0.01600565 -0.02383411 0.03228538
20.41978790 10.85276685 8.77721993
0.00020022 0.00000645 -0.00011327
0.00077056 0.02081516 -0.00585294
-2.05470475 -2.15958923 -27.48690640
0.00031407 -0.00018556 -0.00028332
0.03063700 -0.01036911 -0.00561438
-14.27554790 6.14108999 7.89811588
0.00013843 -0.00001422 0.00031178
0.00896771 0.00330303 0.00475210
-9.58532635 7.25524747 -2.27413123
-0.00011402 -0.00012813 0.00048149
0.01163616 0.01034061 -0.01143174
-1.76786285 -15.27808271 23.34910183
0.00022874 0.00052264 -0.00038919
-0.04635666 -0.00349966 0.00466491
-2.71059486 6.32883253 -6.15973003
-0.00001712 -0.00002887 0.00023004
0.03596046 -0.01360804 -0.00427709
-20.23024290 30.54225803 4.16486104
-0.00022691 -0.00072584 -0.00002120
-0.02987634 -0.00068507 0.02552509
7.70016641 0.34260645 7.62749459
0.00019552 0.00031480 -0.00017044
-0.01602348 0.01184854 -0.02439707
5.74857205 11.47275285 -13.47026517
-0.00009005 -0.00034265 0.00003665
-0.00826605 -0.01777972 -0.02287360
15.54606536 2.75223141 -1.77587836
0.00005172 -0.00005939 0.00018444
0.00606286 0.02384235 -0.00291494
-4.43004531 13.23459874 -0.78810530
-0.00012177 -0.00032480 0.00004410
-0.00465100 0.00274275 -0.00903426
4.74282613 12.47862916 2.76214925
0.00007928 0.00022179 -0.00052620
-0.02719263 -0.03145548 0.01191348
25.07138769 -11.52315516 -9.92241788
0.00006857 0.00012581 -0.00006926
0.02705576 -0.01823804 0.01515279
16.73434818 -3.60801937 -0.69951650
0.00023722 0.00011596 -0.00014954
-0.02044583 -0.00405197 0.02093816
13.22612578 7.97165404 10.19255012
0.00046496 -0.00009229 0.00015861
-0.00832536 -0.02652324 0.01873737
1.63544215 -14.05464278 17.57369643
0.00026972 -0.00003704 -0.00013439
0.02063672 0.02866842 0.01267253
-3.82550894 -0.72056119 -14.18464187
0.00038936 -0.00000923 0.00011550
0.00369707 0.01361370 -0.06037005
15.01741639 -7.53468050 -8.86108817
-0.00008200 0.00018389 0.00002521
0.01883460 -0.00714393 -0.02441796
8.37834127 -7.04601923 8.91077643
-0.00006788 -0.00002804 0.00013915
-0.00193172 0.00275728 0.01785911
-21.10881339 2.30885129 22.79673535
0.00008896 0.00008832 0.00024528
-0.01441217 0.00107264 0.02612980
25.69392655 -3.20061924 -8.15631470
0.00006485 0.00016956 -0.00016002
-0.00214158 0.00233783 -0.00297378
9.89023622 -13.94237121 -8.32682289
0.00004472 0.00009582 -0.00033099
-0.00010072 0.02534248 -0.00163155
-6.73094542 -12.41982081 16.98378728
0.00005080 0.00014396 0.00005926
-0.00535317 -0.01210157 -0.02202164
7.79953131 3.09713439 -29.32092049
-0.00039344 -0.00032989 0.00009554
-0.03291852 0.01773402 -0.00847497
11.00345785 15.54486904 15.38727146
0.00023091 0.00041463 0.00023214
0.00283456 -0.00052889 0.00881761
28.72538290 6.23783107 -3.43570904
0.00011389 0.00018888 -0.00020603
-0.01534160 0.01661032 0.01650776
5.33529672 -31.68868570 -3.46547361
0.00013059 -0.00089904 -0.00015106
0.00301018 -0.00014656 0.00438644
4.68778704 -31.24819941 -0.46798500
0.00078955 -0.00016292 0.00016902
-0.00151405 -0.00980753 -0.00314554
-12.00707283 -3.33704014 -9.03460190
-0.00027792 0.00083953 -0.00072819
0.00738192 0.00643736 0.00344423
-12.42638478 -1.09685646 -10.76719507
0.00060912 0.00066272 0.00022384
-0.00151833 0.00936245 -0.00790461
-38.98422241 2.04895809 1.20392921
-0.00018806 0.00035935 0.00072753
-0.00885539 0.00182318 0.00397515
-37.92065813 3.79034084 -0.87922814
0.00023575 -0.00071082 0.00063700
-0.00532338 0.01912735 -0.01286385
-10.70040593 -5.61885937 3.35347441
-0.00083798 0.00087748 -0.00014789
0.00334382 0.00632933 0.00028360
-10.76744482 -2.65333543 3.83001053
-0.00008701 -0.00061284 0.00062736
0.01016126 0.00066729 0.00115539
4.44755096 -2.32711293 8.35141249
-0.00081793 -0.00077347 0.00031229
0.00108142 -0.00898292 0.00393008
3.93798194 -3.78624816 10.84993591
-0.00100154 -0.00071455 -0.00061644
0.00679264 -0.00356622 -0.01214313
-33.94721908 -1.37002440 -0.06416148
-0.00103942 0.00056139 0.00075950
0.00562825 0.00093182 -0.00619641
-32.95984758 1.14519803 0.88385832
-0.00035077 0.00032229 -0.00078701
0.01189911 -0.02454504 -0.02486900
13.76494517 12.76728147 -15.41300773
-0.00132602 0.00059378 -0.00070277
0.01337472 -0.00094891 0.01835804
16.11409282 12.44830875 -13.64942958
-0.00087157 0.00062859 -0.00094869
0.04730131 -0.00508472 -0.00929402
-8.49579551 7.40402837 1.72563784
0.00049076 0.00069218 0.00032430
-0.00670269 0.01590917 -0.00488859
-7.39239644 4.98929660 1.33273614
0.00010618 0.00041347 0.00072328
0.01202115 -0.04633586 -0.03913656
6.11524568 12.40332094 -7.33674676
0.00063252 0.00022286 -0.00051498
0.00977827 -0.00154617 0.00862651
8.79564513 13.44534866 -6.61749436
-0.00055661 -0.00077605 0.00045556
0.00730859 0.00971453 0.00022569
8.49119788 8.61904506 -20.20013550
0.00032441 -0.00026888 0.00069143
0.00489018 -0.01016726 -0.01377465
10.24538215 10.97247636 -19.52762336
0.00056587 -0.00107014 0.00079236
0.00665026 -0.00182734 -0.00442731
24.11319548 15.74883527 -2.76890774
0.00050842 -0.00022774 -0.00031756
-0.01271659 0.00596303 0.00767572
24.53223137 18.53257308 -2.64450383
-0.00125450 0.00091080 -0.00097368
-0.00454234 0.00036265 0.00174184
1.81031809 16.94866122 -21.41143850
-0.00064298 0.00046964 -0.00101132
-0.01466459 0.00157060 -0.02269659
3.51458851 15.70694585 -19.58381082
-0.00017008 0.00041607 0.00021879
0.01942996 -0.02366911 0.01252699
12.61432290 -1.35842616 -6.99254041
0.00073643 -0.00129499 -0.00078184
0.00648936 0.00622448 0.01467396
13.41995136 -0.88283859 -4.06280009
-0.00019442 -0.00004408 -0.00057271
-0.01777757 -0.00563537 0.00658005
-17.63839243 -2.07533886 2.58390382
0.00030398 0.00069029 0.00091381
0.00982370 0.00899941 0.01544456
-14.87760919 -2.72412566 2.82386730
-0.00089518 -0.00029153 -0.00078850
0.00652782 0.00521666 0.01348712
-16.73920735 -0.70632892 20.00245989
0.00017314 -0.00006089 -0.00094106
0.01349364 -0.01072936 -0.01658456
-15.17506551 -3.20683222 19.80474495
0.00014055 0.00053564 -0.00014531
-0.00625086 0.00714922 -0.01018632
-0.50253677 0.43537051 -4.89645245
-0.00008104 0.00009177 -0.00018034
0.01459813 0.01103185 -0.00262920
-0.95718940 3.19325626 -4.95917196
-0.00083629 -0.00052059 -0.00015932
-0.00313357 0.01881922 -0.00428579
23.38519482 -8.75445725 -9.15736079
0.00003058 0.00059438 -0.00017320
0.02345329 -0.01564868 -0.00479492
23.96039397 -5.78802918 -8.49222515
-0.00030186 0.00008298 0.00063746
0.01362970 0.00060655 0.00195800
0.12100074 -6.29286983 5.68009216
-0.00062229 -0.00015729 -0.00054181
-0.00912370 0.00327628 -0.01319134
0.73664562 -6.39912896 8.30729569
0.00029448 -0.00043549 -0.00056719
0.00018911 0.00978330 0.01471803
-0.46652493 -2.67117239 -19.50957930
0.00118813 -0.00001128 -0.00053867
0.00520257 0.00435160 0.01037446
-2.96975077 -2.01857230 -20.48516758
-0.00010231 -0.00001217 0.00052752
-0.02333934 -0.00266380 -0.01522106
2.73909099 3.06862412 -10.57539178
0.00059094 0.00047225 0.00094838
0.00274667 -0.01807914 0.01232532
2.04122488 1.87343943 -7.81954273
-0.00075516 -0.00128246 0.00055492
0.00020279 0.01154895 -0.00461000
-2.09240535 16.64925122 12.28865685
-0.00027407 -0.00005508 -0.00015789
-0.03434867 0.02056995 0.00751069
-3.71979472 18.53493063 13.92805005
-0.00028378 -0.00057147 0.00019930
0.01279495 0.01699357 0.01467974
-5.47143994 6.02242903 -11.10860953
-0.00129342 -0.00007478 0.00031978
0.02968371 -0.00214061 -0.00323136
-4.32209148 3.71633083 -12.38387650
-0.00073180 -0.00057012 -0.00047251
0.02526374 0.01938362 0.02121508
-7.65227286 1.77033254 -7.45354338
-0.00037972 -0.00092278 -0.00058743
0.00087945 -0.01333564 0.01076433
-6.26407744 3.30501736 -9.50079762
0.00102983 0.00017918 -0.00057234
-0.00082424 -0.00523952 0.00886985
2.95986081 27.97593456 7.15820993
0.00018312 -0.00097204 0.00048199
0.01061728 0.00232470 -0.02942930
1.09333927 28.71176177 9.11677490
0.00027950 0.00080816 -0.00015987
0.00491051 -0.01085162 0.00363687
10.62435004 -7.41393500 -0.74309343
0.00008171 -0.00006969 0.00051623
-0.01101435 0.01602969 -0.00836619
8.44333023 -7.32189382 -2.73435880
-0.00034654 -0.00080071 0.00053323
0.00501780 0.00359025 0.00539387
-7.11023983 0.25248649 6.81520540
0.00032899 -0.00061591 0.00049288
0.00975621 0.00244220 -0.00648294
-9.88056145 -0.00924865 7.27909842
-0.00054604 0.00152775 -0.00027304
0.00845363 0.01364277 -0.02258595
21.45677069 10.68962625 10.27352568
-0.00093308 0.00113078 0.00047761
0.00141271 -0.00032395 0.00062091
20.58191868 12.69493163 8.33264578
-0.00076075 0.00087276 -0.00023999
0.00163419 -0.02025308 0.00013883
-1.04234374 -3.33551476 -26.41545026
-0.00018609 0.00125831 -0.00037528
-0.00864441 0.00239414 -0.00921068
-3.60889447 -2.04375797 -26.65052429
0.00084398 0.00007344 0.00071946
-0.03338412 0.00312720 0.01782589
-13.75885480 7.26318655 9.24351150
0.00050459 -0.00028293 0.00024856
0.00823867 -0.00763140 0.00978500
-15.43334110 7.31546276 7.16798805
0.00023632 0.00029494 0.00044773
-0.00949457 0.00344516 -0.01512546
-11.26119944 7.86631119 -2.54933298
0.00017313 0.00048637 0.00075941
-0.01400446 -0.00476894 0.00075103
-8.60317059 8.24427983 -3.59759830
-0.00103489 -0.00013947 0.00008069
-0.00906648 -0.01234280 0.01534280
-1.05677069 -16.88522812 22.87160607
-0.00033207 -0.00024976 -0.00084865
0.00643150 -0.01050899 -0.00499316
-3.62808395 -15.65677380 23.66088293
-0.00105608 -0.00059078 -0.00025882
0.04083675 0.01122932 -0.00158464
-2.55085675 6.40452642 -7.96661433
-0.00102337 0.00011707 -0.00020808
0.00486784 -0.00684469 -0.00838401
-4.39872394 6.73165771 -5.92658273
-0.00020627 -0.00064119 0.00038435
-0.04273784 0.01370480 0.01476423
-21.56001208 29.69620668 3.03177296
-0.00093527 -0.00012873 0.00001394
0.01287735 0.02057776 0.01990187
-21.17906490 31.00560895 5.77436815
-0.00054918 -0.00032771 -0.00020084
0.01213522 -0.00632581 -0.03901491
6.84223249 0.09221281 5.94291215
-0.00047277 0.00051640 -0.00054309
0.01660620 -0.01739144 0.01700372
7.36065685 2.13333195 7.71344942
-0.00076415 0.00037368 -0.00039095
0.00470786 0.00862508 0.01722040
7.12597336 12.80280649 -13.45304954
0.00005918 0.00020757 0.00166180
-0.00655821 -0.00594568 -0.00368483
4.63885705 11.79507877 -14.93085720
0.00138403 -0.00012838 0.00095965
0.01623894 -0.00138572 0.01761111
14.28856389 3.79742977 -2.63671507
-0.00015304 0.00030323 0.00108959
0.00497072 -0.00263275 0.00463871
14.86805470 1.08892742 -1.83846908
0.00014438 0.00083223 0.00074636
-0.00258666 -0.00679186 0.00510569
-2.74279711 12.73813070 -0.35040725
-0.00062175 -0.00099886 0.00066162
0.00014805 -0.00234140 0.00595557
-5.57530061 13.02462215 0.66526928
0.00040023 -0.00008919 0.00001242
0.00812060 -0.00433514 -0.00378830
3.27747533 11.19146344 3.12655793
-0.00040816 0.00081875 -0.00113517
0.03531279 0.02382329 -0.01015805
6.32135743 11.41728600 2.98971406
0.00005043 -0.00102793 0.00033385
-0.01208870 0.01352383 -0.00020313
25.29267919 -12.47738733 -8.34717705
-0.00012849 -0.00025334 0.00009465
-0.00796327 0.00146786 -0.00976090
26.73882641 -11.68184621 -10.95935257
-0.00024089 0.00043492 -0.00043565
-0.03815122 0.01167216 0.00585328
15.11779192 -3.30931422 0.22027564
0.00145951 0.00115347 0.00085678
0.02292202 -0.00106731 -0.01623044
16.98255294 -5.45253646 -0.57660984
-0.00024273 0.00095491 -0.00031314
0.00206698 0.00871216 -0.00570076
12.15661524 7.82361477 11.79554049
-0.00074810 -0.00012445 -0.00010059
0.01909016 0.01655657 -0.02984081
13.44528923 9.73301789 9.68656297
-0.00027509 -0.00030928 -0.00037850
-0.00237084 -0.00109851 0.00432488
-0.06385376 -14.66936268 17.38062387
-0.00034634 0.00034743 0.00050046
-0.01342140 -0.00425880 -0.00355025
1.49007111 -12.46568334 18.53548059
-0.00008466 -0.00081806 0.00033665
0.00476301 -0.01693428 -0.00873311
-4.00630259 -2.07223025 -13.03366572
-0.00003028 0.00101564 0.00053004
0.00324705 -0.02325358 0.01489996
-3.20285208 -1.40519798 -15.90045669
0.00061393 -0.00093388 0.00040131
-0.00958061 0.01392280 0.04402920
14.76394178 -8.26514103 -10.60202709
0.00017592 0.00020869 0.00021289
0.00042587 0.01920012 0.02815740
16.39134713 -6.03613331 -9.03126484
-0.00027021 -0.00008421 0.00087875
-0.01999734 -0.03175668 -0.01224445
6.88029763 -6.08740899 8.46217697
0.00087536 0.00023395 -0.00072343
-0.00700465 0.01506004 0.00506497
9.61289845 -6.58041630 7.72909477
-0.00040044 0.00014777 0.00070152
0.02149877 0.00998824 -0.02045178
-21.77213248 2.00046364 21.15442801
0.00027242 -0.00008905 -0.00064197
0.00456138 0.00015750 -0.02753523
-22.40719771 1.45931029 23.84400998
-0.00001941 0.00045802 -0.00040096
0.01478676 -0.00082582 -0.00142828
26.73482285 -2.96362590 -6.68446189
0.00011986 -0.00008761 -0.00019631
0.00582493 0.00209377 0.00572060
25.27504500 -1.50259724 -8.76197522
-0.00003701 0.00043347 -0.00065566
0.00194690 0.00252411 0.00124264
9.85743927 -15.61953078 -7.77064692
0.00080976 -0.00007284 -0.00052603
-0.00545097 -0.03682207 0.01021331
9.37288297 -12.95602361 -6.86347472
0.00030531 0.00042702 -0.00033636
-0.00320355 0.00335788 -0.00802358
-5.98967136 -11.37313553 18.22439769
-0.00002493 -0.00025336 -0.00048291
0.01434222 0.02082718 0.01686519
-6.97826436 -11.40329969 15.48230382
0.00051871 0.00040927 0.00011431
-0.00008947 0.00486810 0.00223913
8.32382859 1.40808625 -29.45733291
-0.00014292 0.00001497 -0.00046930
0.02092086 -0.02737690 0.00071178
6.03184153 2.91089157 -29.98114862
-0.00060380 -0.00148489 -0.00057996
0.01588913 0.00544349 0.00161708
12.77640095 15.06995192 14.54618592
0.00024071 -0.00106618 -0.00072876
-0.01635329 0.01079745 0.00917386
11.21800139 15.94644667 17.19814329
-0.00002734 0.00023860 -0.00091965
0.00199987 -0.00141146 -0.01976277
29.29238826 4.91767046 -4.56117041
0.00027286 0.00025688 -0.00042262
-0.00121614 -0.00638492 -0.01084172
26.94399779 6.67897221 -3.84606450
-0.00016878 0.00097874 0.00036765
0.01644162 -0.00564326 0.00101719
-9.94701736 4.90104552 6.57993881
-0.00001963 0.00017705 -0.00022805
-0.00065354 0.01127203 0.00253063
-8.77454544 13.34965521 2.59473655
-0.00011741 0.00005833 0.00000162
-0.00484340 -0.00292682 0.00335123
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09466199
0.31853546
424.43252923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3757454723 (a.u.)
total exchange computation time: 2.6713120937 s
-154.2931576648
-931.40808878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3754957935 (a.u.)
total exchange computation time: 2.6748340130 s
-154.2961955077
Anderson extrapolation: theta=1.3675203847 (1.3675203847)
-931.40828533
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3750559050 (a.u.)
total exchange computation time: 2.6705410480 s
-154.3010161797
Anderson extrapolation: theta=0.0579329492 (0.0579329492)
-931.40840494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3749512751 (a.u.)
total exchange computation time: 2.6723859310 s
-154.3018646365
Anderson extrapolation: theta=2.0114743464 (2.0000000000)
-931.40840987
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3747161990 (a.u.)
total exchange computation time: 2.6710100174 s
-154.3036882308
Anderson extrapolation: theta=0.2276025409 (0.2276025409)
-931.40841514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3746543365 (a.u.)
total exchange computation time: 2.6712760925 s
-154.3041034683
Anderson extrapolation: theta=1.7073792694 (1.7073792694)
-931.40841603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3745645275 (a.u.)
total exchange computation time: 2.6712758541 s
-154.3046428205
Anderson extrapolation: theta=0.2848054632 (0.2848054632)
-931.40841686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3745555437 (a.u.)
total exchange computation time: 2.6712300777 s
-154.3046327032
Anderson extrapolation: theta=1.3111654308 (1.3111654308)
-931.40841699
-72.487860 68.098016 97.531136
558.953174 1031.424063 -410.069326
486.465314 1099.522079 -312.538190
1242.287174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3745563083 (a.u.)
total exchange computation time: 2.6727819443 s
678.93110601
-1083.76683117
89.87524668
-389.18830479
-174.88507738
78.34345714
551.60419304
0.00000000
-931.40841696
4.06477806 -31.20261400 -2.21913135
0.00002512 -0.00048059 0.00004617
-0.00881534 0.00675736 -0.00408915
-11.48555206 -1.56495907 -9.29664519
-0.00012630 0.00024775 -0.00014558
-0.01480856 -0.02377000 0.00195730
-37.52250180 2.41809101 0.21934105
-0.00002932 0.00003189 -0.00000474
0.01511105 -0.01872708 0.00898527
-11.71400753 -4.19567486 3.96042951
0.00005550 -0.00010836 0.00012163
-0.01981295 -0.00073859 0.00569027
4.13109725 -4.02041550 9.00394169
-0.00019433 0.00000578 -0.00038559
-0.00244390 -0.00247714 0.00311625
-32.44500309 -0.33491464 -0.19043425
-0.00060360 0.00016190 0.00044770
-0.02088773 0.01351156 0.02632789
14.36326115 12.49500005 -13.63289609
-0.00006609 -0.00015134 0.00044062
-0.06173694 0.01072492 -0.02610573
-7.73322273 6.06502746 2.65924650
-0.00003626 -0.00002663 0.00001442
-0.00638397 0.03202446 0.04735580
7.39525894 12.33667910 -6.00739150
-0.00031883 -0.00030093 -0.00029719
-0.01448875 -0.00713822 -0.00696385
8.81915786 9.93440717 -19.02945299
0.00001073 0.00003517 -0.00023991
-0.00692416 0.00054968 0.01934068
23.16801327 17.33147430 -2.26293021
-0.00010055 0.00005779 -0.00018979
0.02879591 -0.01035340 -0.01579864
2.10867823 16.81170042 -19.63780566
0.00000179 -0.00004547 0.00005052
-0.01426602 0.02587394 0.01150761
13.98086896 -1.00660876 -5.76023871
-0.00006975 0.00027697 -0.00010085
0.01703382 -0.00627117 -0.01841578
-16.04615165 -1.35702140 3.25254959
-0.00006403 -0.00005575 -0.00003415
-0.01975755 -0.02390632 -0.01929118
-16.31462863 -2.12759175 18.82462692
0.00054589 -0.00036273 -0.00007113
-0.00812665 0.00827005 0.02346764
0.48288605 2.09540679 -4.79062361
0.00017592 0.00013442 0.00026456
-0.01830515 -0.02746098 0.00007988
22.75780813 -7.11032825 -8.81751915
0.00012514 0.00000416 0.00003098
-0.04609019 0.02063578 0.00026232
-0.76767094 -6.31322567 7.28075005
-0.00003342 -0.00003713 0.00012633
0.00921565 -0.01072426 -0.00417656
-1.74718076 -1.36581207 -19.33464201
-0.00013624 -0.00000225 -0.00003867
0.01700141 -0.00883434 0.00961445
3.18901972 1.75702859 -9.29221394
-0.00006027 -0.00023925 -0.00001954
-0.00834609 0.01222212 0.00170944
-3.76203252 17.73118715 12.31483752
0.00037927 -0.00008964 0.00003610
0.03166117 -0.02556498 -0.01525557
-3.80452645 5.06485990 -11.12676289
0.00011744 0.00018762 -0.00011789
-0.05812747 -0.00953108 -0.03590936
-7.91752603 2.78298215 -8.92214816
0.00000123 -0.00024399 0.00020390
0.00363920 0.02349898 -0.02316326
2.42519113 27.48230359 8.77632017
0.00019727 0.00008778 0.00024623
-0.02559713 0.00424085 0.03486320
9.58926448 -6.23342292 -1.78519649
-0.00032560 0.00005592 0.00005985
0.00424775 -0.02123966 0.00818170
-8.70504848 0.81025335 6.05046357
0.00000197 -0.00012652 0.00024548
-0.01029443 -0.02215171 0.03032211
20.42279421 10.85294395 8.77549835
0.00020032 0.00001826 -0.00011688
-0.00037293 0.02507525 -0.00819658
-2.04987557 -2.16241269 -27.49117790
0.00032846 -0.00018965 -0.00028694
0.02533630 -0.00552681 -0.00844090
-14.27343684 6.14088938 7.90281094
0.00014289 -0.00001248 0.00031395
0.00838069 0.00346608 0.00368200
-9.58699179 7.25336542 -2.26695296
-0.00010808 -0.00012280 0.00047555
0.01148455 0.01038147 -0.01166120
-1.76461059 -15.27025662 23.34328195
0.00020341 0.00051919 -0.00038689
-0.05214477 -0.00991020 0.00426646
-2.71071291 6.32834693 -6.15629595
0.00000091 -0.00003571 0.00022712
0.03413364 -0.01296857 -0.00705912
-20.23376180 30.53136783 4.16464147
-0.00024256 -0.00072612 -0.00000817
-0.03099063 -0.00041740 0.02515330
7.70303739 0.34737418 7.62484381
0.00018674 0.00032133 -0.00018371
-0.01810972 0.01352927 -0.02719947
5.74718943 11.46754448 -13.46980366
-0.00009192 -0.00035172 0.00002723
0.00099238 -0.01750192 -0.01374650
15.54686461 2.75143252 -1.77312303
0.00005565 -0.00004546 0.00018311
0.00918728 0.03032861 -0.00223773
-4.43188973 13.22973726 -0.78747869
-0.00012392 -0.00032332 0.00003917
-0.00374008 0.00302914 -0.01013944
4.74391041 12.48183469 2.75430224
0.00006611 0.00020503 -0.00051989
-0.02402476 -0.03371887 0.01261972
25.07252063 -11.52133836 -9.92339840
0.00008221 0.00011629 -0.00006094
0.02596742 -0.01878680 0.01722431
16.73782764 -3.60629565 -0.70167878
0.00022717 0.00011540 -0.00013916
-0.01863923 0.00190445 0.01941357
13.23306814 7.97016738 10.19500154
0.00046030 -0.00010630 0.00016861
-0.00980965 -0.02796427 0.02015278
1.63956751 -14.05508786 17.57172940
0.00027934 -0.00002315 -0.00012823
0.01677629 0.02537329 0.01129575
-3.81965426 -0.72064718 -14.18314220
0.00039137 -0.00000167 0.00008382
0.00410383 0.01580632 -0.06283328
15.01625899 -7.53194976 -8.86080427
-0.00007244 0.00018011 0.00001316
0.01834869 -0.00754749 -0.02244102
8.37731568 -7.04642926 8.91293255
-0.00006924 -0.00002705 0.00014913
-0.00337502 0.00112671 0.02097259
-21.10753464 2.31018018 22.80051530
0.00008142 0.00008892 0.00025664
-0.01490352 0.00127437 0.01805520
25.69489109 -3.19806678 -8.15872648
0.00006347 0.00017128 -0.00016183
-0.00321967 0.00435797 -0.00406383
9.89090661 -13.94083611 -8.33179401
0.00004465 0.00010857 -0.00033175
-0.00015774 0.02420811 -0.00132201
-6.73020400 -12.41770804 16.98459116
0.00004740 0.00013712 0.00004692
-0.00789162 -0.01452534 -0.02595797
7.79350268 3.09225438 -29.31952003
-0.00041114 -0.00032072 0.00009086
-0.03589830 0.01793209 -0.00975251
11.00693242 15.55108646 15.39078764
0.00023235 0.00041360 0.00023431
0.00277298 -0.00346940 -0.00039695
28.72703202 6.24072837 -3.43873582
0.00010582 0.00019747 -0.00019764
-0.01601346 0.01678832 0.01612271
5.33734779 -31.70217586 -3.46760508
0.00013927 -0.00089808 -0.00013066
0.00124179 0.00061668 0.00559737
4.69958394 -31.25094379 -0.46554615
0.00078100 -0.00020264 0.00015268
-0.00267130 -0.00963171 -0.00485007
-12.01101541 -3.32424986 -9.04541918
-0.00025016 0.00085791 -0.00071256
0.00620791 0.00255881 0.00420706
-12.41729450 -1.08662874 -10.76407966
0.00059855 0.00070383 0.00018393
-0.00365753 0.01076041 -0.01163352
-38.98731470 2.05440417 1.21496396
-0.00021749 0.00036838 0.00073882
-0.00554933 0.00259626 0.00155316
-37.91728507 3.78026470 -0.87006738
0.00021034 -0.00062005 0.00057428
-0.00711489 0.02530558 -0.01783645
-10.71287320 -5.60550319 3.35126473
-0.00081590 0.00089094 -0.00015172
0.00746549 0.00025838 -0.00215950
-10.76843855 -2.66250753 3.83945637
-0.00004153 -0.00060236 0.00063152
0.01209867 0.00446085 0.00088088
4.43531512 -2.33899025 8.35621725
-0.00081089 -0.00079510 0.00032240
0.00236341 -0.00160438 0.00102173
3.92316704 -3.79707577 10.84031726
-0.00097377 -0.00072844 -0.00066295
0.00679916 -0.00323000 -0.01062558
-33.96263794 -1.36157507 -0.05295890
-0.00101413 0.00056616 0.00073377
0.00675388 0.00140415 -0.00639510
-32.96474444 1.14928018 0.87129116
-0.00030431 0.00022827 -0.00088319
0.01084121 -0.02147413 -0.02221148
13.74546464 12.77615916 -15.42298668
-0.00126579 0.00058718 -0.00061184
0.01611278 -0.00228467 0.02614912
16.10246878 12.45758182 -13.66394471
-0.00066304 0.00060778 -0.00098717
0.05477304 -0.00510325 -0.00954361
-8.48863954 7.41489863 1.73035250
0.00046528 0.00075385 0.00030548
-0.00576843 0.01427893 -0.00432312
-7.39043541 4.99407877 1.34238602
0.00015748 0.00021608 0.00055247
0.01308949 -0.05028596 -0.04447486
6.12503306 12.40661647 -7.34420708
0.00066634 0.00021612 -0.00048454
0.00677949 -0.00175523 0.00627517
8.78751989 13.43400558 -6.61065404
-0.00052124 -0.00073170 0.00045477
0.01000456 0.01199369 -0.00061167
8.49621393 8.61470031 -20.19018613
0.00034342 -0.00031594 0.00063055
0.00441456 -0.01286786 -0.01602740
10.25407399 10.95636827 -19.51587359
0.00059798 -0.00107329 0.00077208
0.00906536 0.00028579 -0.00549905
24.12043211 15.74560189 -2.77343598
0.00045471 -0.00019818 -0.00028446
-0.01357347 0.00850518 0.00852699
24.51327467 18.54624619 -2.65905562
-0.00127106 0.00091132 -0.00096634
-0.00356136 -0.00010790 0.00184903
1.80022397 16.95575388 -21.42730378
-0.00069822 0.00047355 -0.00108600
-0.01237207 0.00034660 -0.01386028
3.51263275 15.71246166 -19.58014511
-0.00008604 0.00031597 0.00026848
0.02170855 -0.02533052 0.01179636
12.62556813 -1.37766025 -7.00381832
0.00076344 -0.00126850 -0.00071965
0.00673367 0.00674318 0.01576808
13.41649025 -0.88367249 -4.07118905
-0.00026967 -0.00006687 -0.00053906
-0.01905717 -0.00551959 0.00988930
-17.63353176 -2.06470878 2.59808422
0.00033241 0.00072274 0.00097194
0.00409608 0.00688600 0.01301183
-14.89083681 -2.72833882 2.81245308
-0.00086606 -0.00027125 -0.00073331
0.00772605 0.00471189 0.01353043
-16.73619673 -0.70757101 19.98783580
0.00022780 -0.00010295 -0.00100651
0.01325943 -0.00986016 -0.01545150
-15.17314879 -3.19857854 19.80225310
0.00012224 0.00055753 -0.00018084
-0.00271388 0.00356473 -0.00720343
-0.50330498 0.43708514 -4.89923810
-0.00001940 0.00013690 -0.00019050
0.01557483 0.01105879 -0.00234492
-0.96982984 3.18602406 -4.96169303
-0.00084290 -0.00044604 -0.00017631
-0.00010058 0.01767577 -0.00403176
23.38637217 -8.74602102 -9.16010570
0.00012979 0.00052256 -0.00019402
0.02511087 -0.01950714 -0.00539767
23.95628368 -5.78676585 -8.48260328
-0.00024500 0.00008641 0.00064546
0.01420710 0.00106885 0.00196040
0.11138685 -6.29512885 5.67156080
-0.00066142 -0.00014396 -0.00059129
-0.01003278 0.00325180 -0.01102842
0.74106864 -6.40536151 8.29923890
0.00029654 -0.00039567 -0.00050665
0.00081625 0.00970770 0.01491292
-0.44854349 -2.67120832 -19.51734139
0.00119815 0.00001610 -0.00049544
-0.00029810 0.00905193 0.01078381
-2.97200065 -2.01883646 -20.47772124
-0.00020005 -0.00002587 0.00046201
-0.02450590 -0.00404515 -0.01684401
2.74803921 3.07515380 -10.56078842
0.00060001 0.00040122 0.00099527
0.00169476 -0.01669079 0.01062998
2.02990366 1.85455645 -7.81136024
-0.00074789 -0.00123402 0.00052836
0.00335689 0.01216196 -0.00838871
-2.09756891 16.64905540 12.28651861
-0.00041036 0.00002729 -0.00012689
-0.03236673 0.01975116 0.00766747
-3.72365935 18.52687937 13.93148935
-0.00023082 -0.00050197 0.00025966
0.01313086 0.01702355 0.01486789
-5.48993165 6.02124166 -11.10391187
-0.00116288 -0.00008738 0.00030581
0.03421568 -0.00402326 -0.00360490
-4.33229430 3.70837303 -12.39031402
-0.00062509 -0.00048364 -0.00037971
0.02696909 0.02294809 0.02421230
-7.65794166 1.75608216 -7.46202498
-0.00037425 -0.00097968 -0.00053933
0.00179749 -0.01451486 0.01278005
-6.24865522 3.30754447 -9.50911087
0.00100959 0.00015144 -0.00052859
-0.00908282 -0.00833806 0.01254574
2.96293298 27.96142520 7.16453805
0.00022888 -0.00096021 0.00035374
0.01178004 0.00346371 -0.03335374
1.09768230 28.72355171 9.11448834
0.00030328 0.00076063 -0.00014595
0.00672973 -0.01241553 0.00317669
10.62523822 -7.41448910 -0.73560634
0.00003346 0.00000005 0.00047847
-0.01260397 0.01810626 -0.01011603
8.43828585 -7.33379449 -2.72619511
-0.00032383 -0.00078281 0.00055681
0.00609924 0.00517355 0.00615088
-7.10500598 0.24332265 6.82239996
0.00036167 -0.00060411 0.00046409
0.00623865 0.00333260 -0.00761145
-9.88849301 0.01408559 7.27431077
-0.00051590 0.00157826 -0.00035892
0.00629833 0.01108542 -0.01945255
21.44281778 10.70657807 10.28070878
-0.00092493 0.00112862 0.00048299
0.00257806 -0.00073586 0.00201723
20.57055746 12.70740248 8.32905022
-0.00075386 0.00078201 -0.00023781
0.00173845 -0.02417441 0.00092926
-1.04539997 -3.31656681 -26.42136168
-0.00021256 0.00125770 -0.00040572
-0.00431268 -0.00269117 -0.00568928
-3.59725780 -2.04256055 -26.63918623
0.00070859 0.00008697 0.00079068
-0.03288939 0.00349774 0.01704053
-13.75103349 7.25870880 9.24753968
0.00053822 -0.00031320 0.00028961
0.00822365 -0.00718701 0.01031045
-15.43008717 7.31999245 7.17424047
0.00019852 0.00030802 0.00038710
-0.00901132 0.00295583 -0.01455053
-11.25903170 7.87346062 -2.53791875
0.00011347 0.00046653 0.00076329
-0.01519701 -0.00494276 0.00114492
-8.61897183 8.24180951 -3.59591787
-0.00106835 -0.00018932 0.00014262
-0.00730949 -0.01205894 0.01497468
-1.06155469 -16.88929648 22.85872337
-0.00030770 -0.00028396 -0.00086640
0.00550028 -0.00623436 -0.00369879
-3.64267373 -15.66529133 23.65695214
-0.00087577 -0.00054032 -0.00026709
0.04742415 0.01346884 -0.00246581
-2.56605820 6.40607272 -7.96999245
-0.00100271 0.00008878 -0.00023695
0.00524864 -0.00700486 -0.00574801
-4.40312766 6.72245988 -5.92036510
-0.00037789 -0.00058640 0.00044523
-0.04127102 0.01311468 0.01503695
-21.57364660 29.69490634 3.03259186
-0.00088077 -0.00004507 0.00009517
0.01380182 0.02037060 0.01986136
-21.18693080 31.00049953 5.77016006
-0.00049840 -0.00035344 -0.00035956
0.01272390 -0.00627381 -0.03868121
6.83564978 0.09942593 5.93528687
-0.00040147 0.00044483 -0.00046845
0.01829578 -0.01764587 0.01953226
7.34933886 2.13920143 7.70811285
-0.00074352 0.00040571 -0.00031989
0.00538897 0.00705527 0.01756323
7.12666011 12.80573792 -13.42823544
0.00002872 0.00017966 0.00164510
-0.00835285 -0.00771703 -0.00449026
4.66011518 11.79311063 -14.91592282
0.00143590 -0.00013015 0.00101337
0.00914740 0.00052054 0.00868412
14.28642053 3.80189751 -2.62022905
-0.00013354 0.00029286 0.00110747
0.00457818 -0.00244084 0.00411333
14.87014109 1.10120273 -1.82711720
0.00012774 0.00079008 0.00076628
-0.00555898 -0.01384013 0.00464350
-2.75211875 12.72307605 -0.34030045
-0.00061848 -0.00100873 0.00068512
0.00144921 -0.00249035 0.00554715
-5.56904835 13.02315148 0.66533952
0.00042926 -0.00010696 -0.00000020
0.00608847 -0.00436400 -0.00238841
3.27243496 11.20447464 3.10921912
-0.00026434 0.00091530 -0.00117550
0.03509216 0.02344286 -0.00958261
6.32174346 11.40228140 2.99471551
-0.00000402 -0.00096747 0.00033122
-0.01456521 0.01607409 -0.00108093
25.29050786 -12.48114251 -8.34605640
-0.00016067 -0.00024501 0.00005101
-0.00779026 0.00261108 -0.01160331
26.73404400 -11.67496474 -10.96570788
-0.00039514 0.00048124 -0.00041173
-0.03735730 0.01100372 0.00585492
15.14038702 -3.29204482 0.23263006
0.00154759 0.00114888 0.00079233
0.02019331 -0.00118301 -0.01532215
16.97897539 -5.43794586 -0.58148162
-0.00023305 0.00097851 -0.00033518
0.00266955 0.00283963 -0.00508738
12.14597869 7.82225543 11.79311726
-0.00066736 -0.00005603 -0.00022476
0.02043551 0.01693249 -0.03094225
13.44109018 9.72834505 9.68101803
-0.00028386 -0.00031161 -0.00036107
-0.00192017 -0.00004459 0.00420694
-0.06946009 -14.66428176 17.38802198
-0.00039466 0.00033042 0.00048536
-0.01023386 -0.00406793 -0.00384243
1.48894715 -12.47847322 18.54026270
-0.00006397 -0.00088094 0.00030408
0.00536389 -0.01384341 -0.00720678
-4.00665726 -2.05770818 -13.02525854
-0.00001772 0.00091509 0.00059575
0.00289883 -0.02596679 0.01726733
-3.19393674 -1.41877953 -15.89308781
0.00057441 -0.00087592 0.00058126
-0.00976550 0.01444696 0.04405682
14.76659367 -8.26142232 -10.59797087
0.00017783 0.00028562 0.00032396
0.00050591 0.01845492 0.02621121
16.38668114 -6.03836961 -9.01845877
-0.00035137 -0.00021296 0.00082735
-0.01972792 -0.03126420 -0.01291843
6.89321343 -6.08343824 8.45148075
0.00084054 0.00029728 -0.00070268
-0.01004109 0.01594158 0.00508942
9.60755060 -6.57789362 7.73899079
-0.00030384 0.00018961 0.00061183
0.02579087 0.01049238 -0.02344785
-21.76790635 1.99913278 21.14395465
0.00029628 -0.00008596 -0.00074194
0.00711549 0.00135377 -0.02139732
-22.40703574 1.46615523 23.83795175
0.00003672 0.00045185 -0.00040299
0.01268714 -0.00219398 0.00043529
26.73679924 -2.96487593 -6.68723122
0.00014383 -0.00007831 -0.00017308
0.00591069 0.00245892 0.00565166
25.27454947 -1.49601782 -8.77177207
-0.00002678 0.00043836 -0.00064821
0.00306346 -0.00012932 0.00240513
9.86941870 -15.62175169 -7.77822436
0.00078717 -0.00021961 -0.00048413
-0.00560843 -0.03502433 0.01029386
9.37736447 -12.94951539 -6.86876593
0.00029230 0.00043872 -0.00036978
-0.00316344 0.00236815 -0.00833782
-5.98960579 -11.37629775 18.21767080
0.00003805 -0.00016280 -0.00040592
0.01648423 0.02350291 0.02082230
-6.97048652 -11.39701146 15.48408714
0.00051819 0.00042799 0.00012357
-0.00016208 0.00429531 0.00229092
8.32232584 1.40747184 -29.46435061
-0.00005508 -0.00009932 -0.00046606
0.02207954 -0.02856496 0.00087338
6.02327143 2.88878500 -29.98979851
-0.00053500 -0.00146016 -0.00057076
0.01779028 0.00666150 0.00288871
12.77951045 15.05429009 14.53553568
0.00017126 -0.00101863 -0.00068757
-0.01764207 0.01247770 0.01098947
11.21765251 15.94998236 17.18374291
-0.00001647 0.00023597 -0.00098451
0.00332534 0.00012569 -0.01198741
29.29644396 4.92132803 -4.56784191
0.00026548 0.00023266 -0.00046566
-0.00239874 -0.00547279 -0.01022935
26.94196994 6.69348041 -3.84051857
-0.00009785 0.00095325 0.00037124
0.01827976 -0.00683719 0.00073972
-9.94731357 4.90373151 6.57652485
-0.00001985 0.00018105 -0.00022714
-0.00057918 0.01105950 0.00253621
-8.77631502 13.35052505 2.59476667
-0.00011853 0.00005762 0.00000244
-0.00480313 -0.00316988 0.00374878
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09477660
0.31364037
417.91006571
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3815878741 (a.u.)
total exchange computation time: 2.6765778065 s
-154.3139795163
-931.40331853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3812465458 (a.u.)
total exchange computation time: 2.6716458797 s
-154.3178357578
Anderson extrapolation: theta=1.3510930899 (1.3510930899)
-931.40352207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3807035118 (a.u.)
total exchange computation time: 2.6727159023 s
-154.3236620371
Anderson extrapolation: theta=0.0524406946 (0.0524406946)
-931.40364292
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3806101822 (a.u.)
total exchange computation time: 2.6765129566 s
-154.3244946703
Anderson extrapolation: theta=1.9184281584 (1.9184281584)
-931.40364712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3804126936 (a.u.)
total exchange computation time: 2.6713249683 s
-154.3262030219
Anderson extrapolation: theta=0.2186881061 (0.2186881061)
-931.40365098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3803658045 (a.u.)
total exchange computation time: 2.6725959778 s
-154.3265700041
Anderson extrapolation: theta=1.8391302859 (1.8391302859)
-931.40365154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3802973710 (a.u.)
total exchange computation time: 2.6731281281 s
-154.3270688628
Anderson extrapolation: theta=0.2874842470 (0.2874842470)
-931.40365191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3802955138 (a.u.)
total exchange computation time: 2.6708230972 s
-154.3270429422
Anderson extrapolation: theta=1.3060546715 (1.3060546715)
-931.40365192
-72.567358 68.138316 97.463022
558.933891 1031.431225 -410.062126
486.366533 1099.569541 -312.599104
1242.305832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3803058582 (a.u.)
total exchange computation time: 2.6716470718 s
679.02530250
-1083.97336566
89.86976508
-389.04468990
-174.90035789
78.45868567
551.60419304
0.00000000
-931.40365174
4.06512081 -31.20979683 -2.21845461
0.00002122 -0.00047729 0.00004415
-0.00634197 0.00610281 -0.00375256
-11.48750375 -1.56133453 -9.29882128
-0.00013309 0.00023624 -0.00014389
-0.01157852 -0.02097378 0.00458804
-37.52288328 2.41849719 0.21930457
-0.00002199 0.00002064 0.00000163
0.01336866 -0.02504416 0.01578923
-11.71325138 -4.19730313 3.96227587
0.00004370 -0.00010800 0.00012532
-0.02610517 0.00215420 0.00866458
4.12817283 -4.02033830 8.99816990
-0.00019591 0.00000244 -0.00038366
-0.00369367 -0.01052022 0.00437698
-32.45413767 -0.33243409 -0.18361722
-0.00061421 0.00016783 0.00046050
-0.02037022 0.00955904 0.02346173
14.36203160 12.49277131 -13.62638753
-0.00009974 -0.00014548 0.00042556
-0.06908247 0.01206806 -0.03245099
-7.73379122 6.06475160 2.65964553
-0.00003996 -0.00000909 0.00003939
-0.00800481 0.03616585 0.04972867
7.39042067 12.33213761 -6.01187621
-0.00032607 -0.00030507 -0.00029992
-0.01367467 -0.00894934 -0.00363928
8.81929217 9.93493683 -19.03297696
0.00000660 0.00003553 -0.00022927
-0.00914543 0.00084508 0.02200892
23.16661608 17.33230117 -2.26583805
-0.00008565 0.00005189 -0.00019787
0.02914128 -0.01258954 -0.01561088
2.10865007 16.81111818 -19.63700340
-0.00000655 -0.00003156 0.00005432
-0.01817877 0.02820643 0.00325454
13.97988848 -1.00247845 -5.76182253
-0.00006071 0.00027358 -0.00011119
0.01811372 -0.00688830 -0.02179906
-16.04718824 -1.35794985 3.25196286
-0.00007288 -0.00006725 -0.00004342
-0.01468097 -0.02080568 -0.01672488
-16.30647161 -2.13300073 18.82365054
0.00054080 -0.00035780 -0.00006032
-0.01166967 0.01089097 0.01857470
0.48545431 2.09731722 -4.78665483
0.00016547 0.00012066 0.00026443
-0.02233418 -0.02604489 -0.00058544
22.75950739 -7.11018620 -8.81705341
0.00010110 0.00001542 0.00003127
-0.04737697 0.02312063 0.00085177
-0.76813676 -6.31382397 7.28262893
-0.00002859 -0.00004263 0.00012357
0.00957325 -0.01065227 -0.00655290
-1.74915880 -1.36587995 -19.33518498
-0.00012598 -0.00000763 -0.00003354
0.02290321 -0.01207345 0.01034426
3.18808348 1.75348698 -9.29250041
-0.00006505 -0.00023349 -0.00001722
-0.01025523 0.01017688 0.00728763
-3.75622136 17.72974397 12.31532010
0.00039477 -0.00010229 0.00002835
0.02863312 -0.02363313 -0.01485394
-3.80298913 5.06763745 -11.12866979
0.00008617 0.00018243 -0.00013687
-0.06346065 -0.01063859 -0.03788200
-7.91749352 2.77941290 -8.91917904
0.00000482 -0.00023092 0.00019080
0.01029705 0.02732241 -0.02775989
2.42805141 27.48363671 8.78014805
0.00018356 0.00009013 0.00026493
-0.02768775 0.00489729 0.03786951
9.58439691 -6.23266600 -1.78426717
-0.00032331 0.00004426 0.00006430
0.00465155 -0.02413166 0.00910394
-8.70505860 0.80827016 6.05426279
-0.00000174 -0.00013741 0.00026042
-0.00415153 -0.02020991 0.02775704
20.42579764 10.85331451 8.77371354
0.00019986 0.00003207 -0.00012159
-0.00144463 0.02862838 -0.01013883
-2.04485094 -2.16527878 -27.49551453
0.00033966 -0.00019114 -0.00029192
0.01822849 -0.00024414 -0.01092187
-14.27126112 6.14071551 7.90753441
0.00014699 -0.00001058 0.00031554
0.00756087 0.00394291 0.00250326
-9.58856864 7.25156345 -2.25986466
-0.00010238 -0.00011748 0.00046957
0.01068023 0.01031513 -0.01161830
-1.76176060 -15.26250698 23.33749499
0.00017549 0.00051247 -0.00038489
-0.05641409 -0.01624297 0.00354411
-2.71056763 6.32776128 -6.15291632
0.00001752 -0.00004212 0.00022283
0.03045111 -0.01197033 -0.00962696
-20.23751979 30.52047440 4.16461596
-0.00025861 -0.00072627 0.00000456
-0.03139595 -0.00017149 0.02433799
7.70576866 0.35224629 7.62198320
0.00017697 0.00032877 -0.00019825
-0.01989701 0.01539996 -0.02932521
5.74581446 11.46220110 -13.46944820
-0.00008888 -0.00036076 0.00002281
0.01083803 -0.01761746 -0.00343227
15.54773474 2.75086761 -1.77038497
0.00006118 -0.00002831 0.00018214
0.01232428 0.03636390 -0.00153779
-4.43376301 13.22489914 -0.78693030
-0.00012554 -0.00032170 0.00003365
-0.00252898 0.00325989 -0.01131992
4.74480934 12.48478009 2.74655259
0.00005461 0.00018728 -0.00051325
-0.02069165 -0.03530216 0.01317940
25.07385390 -11.51966649 -9.92424605
0.00009512 0.00010657 -0.00005157
0.02423360 -0.01901887 0.01921935
16.74116330 -3.60455723 -0.70369129
0.00021818 0.00011798 -0.00012968
-0.01633727 0.00812248 0.01746554
13.23993482 7.96846499 10.19760844
0.00045497 -0.00012098 0.00017918
-0.01091256 -0.02910273 0.02095515
1.64382229 -14.05533720 17.56984952
0.00028689 -0.00001110 -0.00012286
0.01260397 0.02147625 0.00957024
-3.81376792 -0.72061122 -14.18212726
0.00039347 0.00000682 0.00005133
0.00406801 0.01721542 -0.06352360
15.01524315 -7.52927724 -8.86069349
-0.00006317 0.00017613 0.00000229
0.01770356 -0.00791644 -0.01981088
8.37626405 -7.04683059 8.91525048
-0.00007119 -0.00002674 0.00016047
-0.00420736 0.00005156 0.02310664
-21.10637087 2.31151891 22.80443453
0.00007370 0.00008967 0.00026373
-0.01511560 0.00162313 0.00953120
25.69583078 -3.19548071 -8.16116960
0.00006160 0.00017403 -0.00016413
-0.00406059 0.00631659 -0.00487272
9.89157579 -13.93911426 -8.33677532
0.00004457 0.00012035 -0.00033227
-0.00018108 0.02160424 -0.00070505
-6.72952347 -12.41570733 16.98519479
0.00004283 0.00012922 0.00003279
-0.00985787 -0.01617337 -0.02896005
7.78719711 3.08751271 -29.31819480
-0.00043012 -0.00031178 0.00008553
-0.03791503 0.01682816 -0.01094625
11.01042837 15.55727710 15.39430075
0.00023369 0.00041102 0.00023153
0.00241623 -0.00658710 -0.01041605
28.72855759 6.24375519 -3.44163822
0.00009756 0.00020604 -0.00018948
-0.01611456 0.01653074 0.01559789
5.33947496 -31.71562823 -3.46939350
0.00014079 -0.00089403 -0.00010547
-0.00049843 0.00136632 0.00673606
4.71121713 -31.25427847 -0.46340455
0.00076772 -0.00024159 0.00012956
-0.00383249 -0.00943451 -0.00646957
-12.01457753 -3.31130277 -9.05597862
-0.00022752 0.00085988 -0.00069393
0.00487444 -0.00159510 0.00491167
-12.40842838 -1.07574155 -10.76167723
0.00057970 0.00075036 0.00012946
-0.00556637 0.01201806 -0.01503060
-38.99074708 2.06000936 1.22609389
-0.00023330 0.00038054 0.00074005
-0.00219120 0.00335688 -0.00095190
-37.91434805 3.77173945 -0.86199976
0.00017799 -0.00050529 0.00049227
-0.00872058 0.03086940 -0.02230922
-10.72488293 -5.59213117 3.34892270
-0.00077668 0.00087898 -0.00016597
0.01173111 -0.00611038 -0.00481487
-10.76869079 -2.67140624 3.84895620
0.00001154 -0.00057686 0.00063470
0.01388275 0.00802209 0.00067381
4.42322412 -2.35096591 8.36108462
-0.00079858 -0.00078559 0.00032034
0.00366474 0.00625847 -0.00203402
3.90876884 -3.80810132 10.83004740
-0.00094613 -0.00074094 -0.00070268
0.00673113 -0.00288883 -0.00882173
-33.97764287 -1.35303969 -0.04214825
-0.00098461 0.00057260 0.00070731
0.00769298 0.00175034 -0.00655703
-32.96897688 1.15204626 0.85736274
-0.00026275 0.00014855 -0.00096744
0.00950175 -0.01755314 -0.01903345
13.72697160 12.78489683 -15.43136304
-0.00119524 0.00057539 -0.00049193
0.01841893 -0.00348597 0.03255144
16.09420158 12.46654213 -13.67904474
-0.00042953 0.00058714 -0.00102676
0.05953289 -0.00500151 -0.00983272
-8.48183709 7.42664399 1.73480221
0.00044412 0.00080782 0.00028935
-0.00459047 0.01213549 -0.00357035
-7.38767218 4.99577910 1.34931020
0.00021190 0.00000664 0.00036452
0.01355323 -0.05223708 -0.04752707
6.13523592 12.40980442 -7.35128281
0.00068752 0.00020860 -0.00046428
0.00358950 -0.00192160 0.00364102
8.78000780 13.42339755 -6.60385121
-0.00047525 -0.00067845 0.00045081
0.01250777 0.01407347 -0.00132798
8.50150053 8.60956694 -20.18121901
0.00036072 -0.00037301 0.00056157
0.00405416 -0.01506926 -0.01773894
10.26332141 10.94027770 -19.50446084
0.00063948 -0.00106826 0.00074780
0.01124915 0.00217818 -0.00638678
24.12683687 15.74288976 -2.77744163
0.00039797 -0.00015900 -0.00024824
-0.01420329 0.01067754 0.00920638
24.49409970 18.55991268 -2.67349409
-0.00128360 0.00090992 -0.00095861
-0.00257878 -0.00057938 0.00193668
1.78937162 16.96286778 -21.44401851
-0.00074391 0.00047235 -0.00112500
-0.00999338 -0.00093411 -0.00523063
3.51200742 15.71642506 -19.57575645
0.00000525 0.00021071 0.00031498
0.02297806 -0.02619899 0.01096733
12.63722605 -1.39648107 -7.01412986
0.00079110 -0.00124001 -0.00065346
0.00680820 0.00720037 0.01663184
13.41186119 -0.88484466 -4.07897193
-0.00034971 -0.00008927 -0.00049298
-0.02012170 -0.00544662 0.01266739
-17.62842006 -2.05365669 2.61306206
0.00033618 0.00074598 0.00101972
-0.00225018 0.00449076 0.01037372
-14.90359092 -2.73226320 2.80186810
-0.00083217 -0.00025317 -0.00067810
0.00886434 0.00413760 0.01349477
-16.73237349 -0.70941740 19.97226474
0.00028117 -0.00014056 -0.00106663
0.01286838 -0.00855001 -0.01398027
-15.17139840 -3.19010639 19.79931978
0.00011899 0.00056429 -0.00020357
0.00112249 -0.00025677 -0.00392446
-0.50311866 0.43947751 -4.90216746
0.00004572 0.00018158 -0.00019951
0.01630080 0.01081074 -0.00206702
-0.98247645 3.17987515 -4.96446118
-0.00083662 -0.00037656 -0.00019214
0.00317584 0.01633241 -0.00371904
23.38908846 -8.73878032 -9.16318141
0.00023496 0.00043693 -0.00021694
0.02637296 -0.02241029 -0.00582215
23.95304410 -5.78543702 -8.47286125
-0.00018645 0.00009117 0.00065332
0.01445054 0.00126324 0.00188642
0.10115809 -6.29718858 5.66235355
-0.00070416 -0.00013071 -0.00063152
-0.01088728 0.00323222 -0.00866537
0.74554168 -6.41099911 8.29209606
0.00030068 -0.00035617 -0.00044588
0.00121420 0.00962886 0.01483648
-0.43058032 -2.67068949 -19.52444258
0.00118629 0.00006162 -0.00045066
-0.00550804 0.01323276 0.01113650
-2.97575241 -2.01934853 -20.47130720
-0.00030095 -0.00004458 0.00039124
-0.02488531 -0.00510959 -0.01780032
2.75709130 3.08066058 -10.54553359
0.00060463 0.00033663 0.00103460
0.00056519 -0.01492486 0.00862247
2.01878818 1.83641884 -7.80369187
-0.00072811 -0.00118298 0.00048700
0.00632444 0.01282288 -0.01186064
-2.10471612 16.65007005 12.28485028
-0.00053722 0.00010544 -0.00009545
-0.02973302 0.01850329 0.00772004
-3.72671923 18.51987143 13.93583985
-0.00017664 -0.00043321 0.00031924
0.01338702 0.01663654 0.01429562
-5.50632641 6.01980772 -11.09943514
-0.00101555 -0.00010670 0.00029028
0.03790591 -0.00543310 -0.00399640
-4.34084429 3.70182164 -12.39526767
-0.00051211 -0.00038421 -0.00027625
0.02833500 0.02572131 0.02643128
-7.66350031 1.74094223 -7.46972333
-0.00036536 -0.00104052 -0.00048436
0.00255500 -0.01526620 0.01413015
-6.23378965 3.30956057 -9.51665523
0.00095764 0.00011175 -0.00047059
-0.01634615 -0.01109093 0.01584615
2.96672710 27.94712811 7.16882204
0.00027828 -0.00094462 0.00021236
0.01240295 0.00417057 -0.03585115
1.10243777 28.73458075 9.11239646
0.00033382 0.00070737 -0.00013384
0.00821587 -0.01365500 0.00274835
10.62535395 -7.41393354 -0.72873922
-0.00002048 0.00007733 0.00043437
-0.01380111 0.01972107 -0.01147120
8.43361527 -7.34537810 -2.71765446
-0.00029708 -0.00075875 0.00058317
0.00699429 0.00660561 0.00674977
-7.09938978 0.23436306 6.82912805
0.00038005 -0.00058873 0.00043087
0.00275982 0.00419649 -0.00864941
-9.89603856 0.03809920 7.26833094
-0.00049554 0.00161781 -0.00043095
0.00367002 0.00827591 -0.01580795
21.42902287 10.72348478 10.28801551
-0.00091243 0.00112486 0.00049364
0.00354012 -0.00110254 0.00319463
20.55930279 12.71839178 8.32551162
-0.00074632 0.00067662 -0.00023272
0.00195497 -0.02741098 0.00155898
-1.04872050 -3.29778380 -26.42762177
-0.00022053 0.00123565 -0.00042086
0.00040856 -0.00810320 -0.00172187
-3.58763680 -2.04114877 -26.62680381
0.00057811 0.00010174 0.00085707
-0.03098287 0.00373295 0.01545583
-13.74270818 7.25379058 9.25219974
0.00057153 -0.00034174 0.00033244
0.00808324 -0.00678601 0.01065850
-15.42738551 7.32470328 7.17960113
0.00016344 0.00031855 0.00032942
-0.00815970 0.00219780 -0.01368433
-11.25779533 7.88030712 -2.52643436
0.00004988 0.00044570 0.00076888
-0.01593003 -0.00525493 0.00159205
-8.63522103 8.23860015 -3.59331970
-0.00109430 -0.00023753 0.00020238
-0.00539290 -0.01153703 0.01427748
-1.06600160 -16.89374692 22.84561399
-0.00028718 -0.00030031 -0.00087865
0.00454408 -0.00177127 -0.00229809
-3.65435706 -15.67298340 23.65287024
-0.00067169 -0.00048128 -0.00027850
0.05247633 0.01543039 -0.00311742
-2.58093798 6.40718971 -7.97372285
-0.00098060 0.00005985 -0.00025474
0.00557215 -0.00715277 -0.00295887
-4.41006072 6.71406580 -5.91322591
-0.00053957 -0.00053479 0.00050647
-0.03787034 0.01214904 0.01494107
-21.58643526 29.69485445 3.03462799
-0.00082306 0.00003714 0.00017548
0.01444678 0.01987436 0.01945435
-21.19401689 30.99500561 5.76358136
-0.00044605 -0.00037849 -0.00051520
0.01290376 -0.00598818 -0.03750601
6.83018835 0.10555760 5.92885864
-0.00032387 0.00037236 -0.00038461
0.01968827 -0.01782839 0.02150636
7.33835114 2.14550331 7.70385266
-0.00072011 0.00043090 -0.00024768
0.00607163 0.00527235 0.01778403
7.12683494 12.80819640 -13.40369654
-0.00000880 0.00014474 0.00162503
-0.01001412 -0.00938002 -0.00533354
4.68193392 11.79117439 -14.90045623
0.00145727 -0.00012342 0.00102822
0.00131559 0.00277131 -0.00141376
14.28455776 3.80621567 -2.60349094
-0.00011591 0.00028351 0.00112302
0.00405281 -0.00213952 0.00349974
14.87188680 1.11262983 -1.81548074
0.00009918 0.00071990 0.00078450
-0.00841763 -0.02051220 0.00427607
-2.76135158 12.70786877 -0.32985369
-0.00061024 -0.00101912 0.00070679
0.00258611 -0.00259536 0.00506004
-5.56242296 13.02141335 0.66526338
0.00044966 -0.00012483 -0.00000680
0.00389932 -0.00438185 -0.00084301
3.26954525 11.21892257 3.09129302
-0.00012266 0.00100946 -0.00121325
0.03426075 0.02264492 -0.00889827
6.32123685 11.38826193 2.99965072
-0.00006765 -0.00089710 0.00032506
-0.01658061 0.01837418 -0.00193302
25.28785910 -12.48473766 -8.34564687
-0.00019192 -0.00023246 0.00000058
-0.00750728 0.00353086 -0.01308083
26.72697209 -11.66740889 -10.97170437
-0.00054497 0.00052458 -0.00038828
-0.03598243 0.01021187 0.00562211
15.16421969 -3.27484793 0.24404545
0.00162348 0.00114407 0.00073239
0.01695619 -0.00117167 -0.01401871
16.97556144 -5.42318123 -0.58666518
-0.00022090 0.00097730 -0.00035464
0.00327830 -0.00342956 -0.00444129
12.13659455 7.82193381 11.78879770
-0.00058193 0.00001352 -0.00035209
0.02138153 0.01711399 -0.03138686
13.43677344 9.72366948 9.67573092
-0.00029076 -0.00030989 -0.00034422
-0.00145609 0.00088893 0.00404141
-0.07569361 -14.65945014 17.39518459
-0.00042923 0.00031445 0.00046905
-0.00668822 -0.00374676 -0.00414253
1.48815193 -12.49211152 18.54460313
-0.00004098 -0.00093020 0.00027845
0.00589108 -0.01027135 -0.00534398
-4.00683427 -2.04477751 -13.01579310
-0.00000633 0.00080574 0.00066939
0.00267771 -0.02755996 0.01877703
-3.18561989 -1.43147569 -15.88301885
0.00053477 -0.00081655 0.00075951
-0.00963642 0.01461486 0.04319756
14.76927655 -8.25657257 -10.59230827
0.00017988 0.00035875 0.00042554
0.00049906 0.01734300 0.02351082
16.38080610 -6.04252197 -9.00644442
-0.00043091 -0.00033896 0.00077349
-0.01921009 -0.03041754 -0.01344554
6.90551385 -6.07849050 8.44109644
0.00079416 0.00036370 -0.00068170
-0.01266476 0.01657029 0.00518120
9.60378337 -6.57472790 7.74744978
-0.00019182 0.00023271 0.00051204
0.02904368 0.01060193 -0.02540354
-21.76324415 1.99788490 21.13216993
0.00033057 -0.00007792 -0.00081616
0.00967108 0.00257876 -0.01493609
-22.40609623 1.47286571 23.83192018
0.00008366 0.00043975 -0.00039718
0.01029075 -0.00372547 0.00241223
26.73913788 -2.96597526 -6.68965419
0.00016781 -0.00006761 -0.00015059
0.00582503 0.00277916 0.00535409
25.27424169 -1.48944633 -8.78142151
-0.00001207 0.00043263 -0.00063609
0.00413597 -0.00267706 0.00352533
9.88105440 -15.62611910 -7.78517092
0.00076396 -0.00035601 -0.00044287
-0.00575315 -0.03174238 0.00990634
9.38165209 -12.94286202 -6.87456812
0.00027935 0.00044647 -0.00040418
-0.00317571 0.00142391 -0.00849986
-5.98852997 -11.37801955 18.21222002
0.00010867 -0.00006292 -0.00031463
0.01808688 0.02539039 0.02386774
-6.96271860 -11.39045998 15.48601087
0.00051737 0.00044437 0.00013297
-0.00023992 0.00372232 0.00231159
8.32217626 1.40510680 -29.47131479
0.00003649 -0.00021564 -0.00046199
0.02274492 -0.02837448 0.00111884
6.01579163 2.86708668 -29.99827135
-0.00045940 -0.00143062 -0.00055669
0.01921671 0.00779820 0.00399983
12.78153874 15.03939297 14.52555895
0.00009693 -0.00096434 -0.00063913
-0.01874185 0.01409930 0.01272208
11.21750743 15.95352575 17.16860786
-0.00000004 0.00024003 -0.00101572
0.00471559 0.00186217 -0.00328869
29.30035264 4.92465019 -4.57514032
0.00025313 0.00021268 -0.00050571
-0.00364483 -0.00430751 -0.00937414
26.94106238 6.70756959 -3.83492730
-0.00002043 0.00092318 0.00037350
0.01961796 -0.00788106 0.00036834
-9.94761289 4.90647688 6.57312449
-0.00002004 0.00018497 -0.00022624
-0.00049726 0.01084951 0.00252011
-8.77810132 13.35138386 2.59480985
-0.00011964 0.00005686 0.00000336
-0.00474841 -0.00338924 0.00413222
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09479777
0.30885397
411.53243326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3878166977 (a.u.)
total exchange computation time: 2.7344999313 s
-154.3324780652
-931.39949394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3873309131 (a.u.)
total exchange computation time: 2.7340948582 s
-154.3373620104
Anderson extrapolation: theta=1.3587595398 (1.3587595398)
-931.39971014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3865713434 (a.u.)
total exchange computation time: 2.7381129265 s
-154.3447028531
Anderson extrapolation: theta=0.0567508322 (0.0567508322)
-931.39984087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3864494772 (a.u.)
total exchange computation time: 2.7347941399 s
-154.3457180161
Anderson extrapolation: theta=2.0987554253 (2.0000000000)
-931.39984640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3861824969 (a.u.)
total exchange computation time: 2.7339570522 s
-154.3478712600
Anderson extrapolation: theta=0.3031724856 (0.3031724856)
-931.39985263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3860994029 (a.u.)
total exchange computation time: 2.7388000488 s
-154.3484812578
Anderson extrapolation: theta=1.5799534898 (1.5799534898)
-931.39985394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3859924937 (a.u.)
total exchange computation time: 2.7353820801 s
-154.3491988900
Anderson extrapolation: theta=0.3830946047 (0.3830946047)
-931.39985499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3859777335 (a.u.)
total exchange computation time: 2.7345290184 s
-154.3492258596
Anderson extrapolation: theta=1.0698776099 (1.0698776099)
-931.39985512
-72.645095 68.178598 97.397654
558.920125 1031.438679 -410.055071
486.275030 1099.617276 -312.657417
1242.326938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1369172526
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3859826135 (a.u.)
total exchange computation time: 2.7344048023 s
679.11271537
-1084.16764559
89.86460458
-388.90908093
-174.91446575
78.56781408
551.60419304
0.00000000
-931.39985492
4.06541464 -31.21693257 -2.21780681
0.00001857 -0.00047431 0.00004230
-0.00394901 0.00546918 -0.00343413
-11.48954476 -1.55787180 -9.30096198
-0.00013827 0.00022627 -0.00014096
-0.00857842 -0.01779561 0.00679952
-37.52316162 2.41871016 0.21938991
-0.00001561 0.00000639 0.00001129
0.01145287 -0.03035392 0.02178747
-11.71269663 -4.19891477 3.96418907
0.00002873 -0.00010603 0.00013056
-0.03209973 0.00548173 0.01171625
4.12521992 -4.02034225 8.99243188
-0.00019811 -0.00000509 -0.00038114
-0.00485177 -0.01878472 0.00542479
-32.46342940 -0.32987979 -0.17661918
-0.00062441 0.00017156 0.00047169
-0.01929839 0.00495236 0.02002698
14.36026909 12.49063566 -13.62012932
-0.00013624 -0.00013898 0.00040755
-0.07288779 0.01319934 -0.03756534
-7.73442147 6.06475476 2.66042820
-0.00004436 0.00001012 0.00006490
-0.00910933 0.03851896 0.04948598
7.38547690 12.32752707 -6.01638899
-0.00033277 -0.00031009 -0.00030094
-0.01239460 -0.01058365 -0.00034048
8.81935593 9.93547301 -19.03633114
0.00000138 0.00003596 -0.00021747
-0.01117680 0.00081789 0.02388228
23.16544371 17.33303092 -2.26886632
-0.00007063 0.00004493 -0.00020581
0.02926399 -0.01446012 -0.01524813
2.10848167 16.81075355 -19.63617603
-0.00001663 -0.00001666 0.00005403
-0.02102318 0.02972903 -0.00439657
13.97904775 -0.99840128 -5.76357452
-0.00005114 0.00026991 -0.00012304
0.01910860 -0.00740205 -0.02426136
-16.04833809 -1.35903881 3.25124710
-0.00007899 -0.00007710 -0.00005131
-0.00905831 -0.01749162 -0.01395707
-16.29840461 -2.13832569 18.82281747
0.00053387 -0.00035160 -0.00005214
-0.01527797 0.01321117 0.01319706
0.48785027 2.09902673 -4.78269056
0.00015298 0.00010773 0.00026397
-0.02626633 -0.02424984 -0.00124081
22.76084114 -7.10986579 -8.81658109
0.00007660 0.00002772 0.00003183
-0.04788573 0.02472021 0.00131580
-0.76852871 -6.31450444 7.28445726
-0.00002354 -0.00004809 0.00011962
0.01008373 -0.01059358 -0.00881948
-1.75096016 -1.36604097 -19.33564815
-0.00011299 -0.00001461 -0.00002820
0.02760463 -0.01508354 0.01041212
3.18706812 1.75002389 -9.29273066
-0.00007074 -0.00022895 -0.00001203
-0.01184980 0.00747027 0.01291371
-3.75018930 17.72811847 12.31568809
0.00040857 -0.00011373 0.00002099
0.02499897 -0.02084212 -0.01376156
-3.80194139 5.07033293 -11.13086893
0.00005244 0.00017676 -0.00015667
-0.06769443 -0.01143409 -0.03912379
-7.91738157 2.77605442 -8.91642407
0.00001159 -0.00021610 0.00017563
0.01606009 0.03030541 -0.03122493
2.43069808 27.48500762 8.78426809
0.00016898 0.00009274 0.00028491
-0.02901409 0.00524585 0.03982193
9.57956522 -6.23209525 -1.78326762
-0.00032086 0.00003126 0.00006915
0.00487855 -0.02641225 0.00977160
-8.70510074 0.80613106 6.05827615
-0.00000222 -0.00014725 0.00027389
0.00228899 -0.01806128 0.02463530
20.42878992 10.85390591 8.77185051
0.00019887 0.00004753 -0.00012719
-0.00239905 0.03149054 -0.01163042
-2.03968567 -2.16814675 -27.49993541
0.00034683 -0.00018982 -0.00029808
0.00962347 0.00534240 -0.01302530
-14.26902707 6.14057206 7.91227719
0.00015062 -0.00000835 0.00031651
0.00655199 0.00470140 0.00125387
-9.59006308 7.24984107 -2.25286599
-0.00009726 -0.00011221 0.00046367
0.00923440 0.01016216 -0.01129844
-1.75934584 -15.25488265 23.33173537
0.00014571 0.00050254 -0.00038332
-0.05940644 -0.02234678 0.00256469
-2.71018742 6.32708329 -6.14961096
0.00003182 -0.00004795 0.00021729
0.02517630 -0.01071090 -0.01191374
-20.24151999 30.50957966 4.16477820
-0.00027468 -0.00072631 0.00001676
-0.03110655 0.00001741 0.02309898
7.70834643 0.35723720 7.61889635
0.00016635 0.00033720 -0.00021371
-0.02140235 0.01738127 -0.03080921
5.74452310 11.45672180 -13.46911922
-0.00008069 -0.00036996 0.00002394
0.02101264 -0.01817504 0.00779741
15.54869994 2.75058323 -1.76765878
0.00006829 -0.00000826 0.00018153
0.01533028 0.04162001 -0.00082937
-4.43565579 13.22008618 -0.78646925
-0.00012645 -0.00031998 0.00002751
-0.00103361 0.00341964 -0.01253171
4.74554865 12.48745314 2.73890462
0.00004487 0.00016890 -0.00050637
-0.01717354 -0.03617542 0.01357913
25.07537413 -11.51814135 -9.92494542
0.00010697 0.00009681 -0.00004119
0.02185483 -0.01893108 0.02112339
16.74437292 -3.60275615 -0.70556906
0.00021049 0.00012378 -0.00012129
-0.01356777 0.01441657 0.01512872
13.24671731 7.96653808 10.20037699
0.00044917 -0.00013616 0.00019001
-0.01163733 -0.02992102 0.02116631
1.64817430 -14.05542086 17.56804347
0.00029226 -0.00000117 -0.00011846
0.00828315 0.01713155 0.00756344
-3.80785020 -0.72044245 -14.18160238
0.00039543 0.00001583 0.00001895
0.00354858 0.01779444 -0.06237389
15.01436388 -7.52666579 -8.86073555
-0.00005427 0.00017196 -0.00000707
0.01690054 -0.00830260 -0.01657451
8.37517996 -7.04723153 8.91774666
-0.00007339 -0.00002681 0.00017261
-0.00434671 -0.00032484 0.02408779
-21.10532371 2.31287016 22.80842730
0.00006595 0.00009063 0.00026641
-0.01499939 0.00213664 0.00088940
25.69673915 -3.19284590 -8.16365032
0.00005936 0.00017775 -0.00016676
-0.00464895 0.00816180 -0.00537674
9.89224356 -13.93722573 -8.34176208
0.00004448 0.00013046 -0.00033241
-0.00013701 0.01772068 0.00014594
-6.72891899 -12.41383139 16.98557500
0.00003744 0.00012071 0.00001741
-0.01113179 -0.01692130 -0.03084674
7.78059903 3.08290087 -29.31695403
-0.00044990 -0.00030374 0.00007962
-0.03898425 0.01444243 -0.01206801
11.01394297 15.56341694 15.39773350
0.00023478 0.00040680 0.00022344
0.00184032 -0.00981039 -0.02102192
28.72995885 6.24690953 -3.44442028
0.00008939 0.00021437 -0.00018161
-0.01566562 0.01588050 0.01500165
5.34157158 -31.72899686 -3.47076910
0.00013542 -0.00088701 -0.00007591
-0.00213226 0.00207356 0.00773357
4.72261543 -31.25819136 -0.46165944
0.00074975 -0.00027969 0.00010004
-0.00496292 -0.00921815 -0.00797799
-12.01784091 -3.29845344 -9.06623704
-0.00021058 0.00084455 -0.00067258
0.00341584 -0.00591016 0.00553660
-12.39990340 -1.06411782 -10.76019596
0.00055372 0.00080161 0.00006213
-0.00715159 0.01306802 -0.01792753
-38.99431375 2.06582029 1.23716548
-0.00023557 0.00039570 0.00073108
0.00107874 0.00406545 -0.00344061
-37.91194548 3.76510605 -0.85529938
0.00013966 -0.00036977 0.00039357
-0.01003807 0.03546529 -0.02600279
-10.73617371 -5.57913364 3.34628559
-0.00072006 0.00084084 -0.00019129
0.01598843 -0.01256390 -0.00757789
-10.76809222 -2.67981330 3.85849733
0.00007143 -0.00053756 0.00063718
0.01543078 0.01121600 0.00054065
4.41135771 -2.36255800 8.36582734
-0.00078101 -0.00074353 0.00030572
0.00493652 0.01432891 -0.00511846
3.89478316 -3.81930393 10.81923690
-0.00091891 -0.00075204 -0.00073452
0.00659121 -0.00254515 -0.00676254
-33.99217633 -1.34439703 -0.03173945
-0.00095171 0.00058017 0.00068028
0.00841179 0.00195697 -0.00667751
-32.97262700 1.15373658 0.84226783
-0.00022722 0.00008654 -0.00103776
0.00789259 -0.01280124 -0.01538709
13.70960738 12.79342086 -15.43774445
-0.00111617 0.00055898 -0.00034849
0.02028590 -0.00454464 0.03766265
16.08958291 12.47519591 -13.69474738
-0.00018303 0.00056705 -0.00106736
0.06113251 -0.00483032 -0.01004565
-8.47531598 7.43913310 1.73903311
0.00042814 0.00085216 0.00027656
-0.00323241 0.00957337 -0.00269131
-7.38407831 4.99427802 1.35332164
0.00026681 -0.00020624 0.00016932
0.01332579 -0.05197016 -0.04802615
6.14565878 12.41287461 -7.35813541
0.00069538 0.00020052 -0.00045524
0.00025735 -0.00203381 0.00078200
8.77326225 13.41365202 -6.59712976
-0.00041961 -0.00061722 0.00044422
0.01473001 0.01589930 -0.00189906
8.50703559 8.60351004 -20.17333904
0.00037683 -0.00043780 0.00048686
0.00383149 -0.01664826 -0.01883378
10.27325825 10.92432062 -19.49343950
0.00068920 -0.00105608 0.00072032
0.01309034 0.00378286 -0.00706837
24.13237117 15.74083201 -2.78088305
0.00033911 -0.00011169 -0.00020960
-0.01460682 0.01247684 0.00970707
24.47476668 18.57354367 -2.68781387
-0.00129215 0.00090657 -0.00095054
-0.00160451 -0.00105648 0.00201247
1.77790682 16.96992444 -21.46105380
-0.00077984 0.00046590 -0.00112981
-0.00759712 -0.00222478 0.00287752
3.51279033 15.71878282 -19.57069564
0.00009949 0.00010363 0.00035792
0.02314994 -0.02621287 0.01004964
12.64930121 -1.41486061 -7.02342211
0.00081869 -0.00120982 -0.00058426
0.00669644 0.00757992 0.01724220
13.40599896 -0.88635064 -4.08597847
-0.00043355 -0.00011147 -0.00043696
-0.02091871 -0.00542113 0.01475309
-17.62344627 -2.04232937 2.62867567
0.00031308 0.00075899 0.00105645
-0.00905760 0.00187951 0.00761024
-14.91580178 -2.73593400 2.79211016
-0.00079380 -0.00023756 -0.00062319
0.00991667 0.00350593 0.01338494
-16.72776160 -0.71178779 19.95583689
0.00033264 -0.00017194 -0.00112010
0.01232603 -0.00681092 -0.01219549
-15.16957921 -3.18164998 19.79614594
0.00013180 0.00055517 -0.00021249
0.00514868 -0.00420374 -0.00044301
-0.50193333 0.44253244 -4.90522350
0.00011330 0.00022470 -0.00020742
0.01677732 0.01030004 -0.00180140
-0.99492843 3.17472718 -4.96745726
-0.00081671 -0.00031280 -0.00020660
0.00657045 0.01488077 -0.00336023
23.39342105 -8.73291306 -9.16661394
0.00034435 0.00034174 -0.00024114
0.02717191 -0.02418543 -0.00602332
23.95069013 -5.78403076 -8.46300362
-0.00012759 0.00009619 0.00066071
0.01436473 0.00119194 0.00173043
0.09026209 -6.29905022 5.65261524
-0.00075020 -0.00011753 -0.00066183
-0.01164880 0.00322037 -0.00617379
0.75008914 -6.41604659 8.28586249
0.00030597 -0.00031698 -0.00038595
0.00137585 0.00955474 0.01449742
-0.41295472 -2.66935967 -19.53086126
0.00115398 0.00012300 -0.00040459
-0.01030797 0.01681060 0.01141392
-2.98102930 -2.02017375 -20.46598408
-0.00040169 -0.00006689 0.00031800
-0.02442667 -0.00581209 -0.01804999
2.76617803 3.08525267 -10.52975032
0.00060459 0.00028079 0.00106468
-0.00058574 -0.01240743 0.00610270
2.00806029 1.81906708 -7.79675039
-0.00069667 -0.00112919 0.00043220
0.00906547 0.01350948 -0.01495972
-2.11368554 16.65221870 12.28365508
-0.00065189 0.00017754 -0.00006401
-0.02639808 0.01678667 0.00767242
-3.72895867 18.51388307 13.94106647
-0.00012156 -0.00036681 0.00037500
0.01357717 0.01586535 0.01300130
-5.52039806 6.01804081 -11.09520334
-0.00085478 -0.00013090 0.00027316
0.04078835 -0.00641755 -0.00438855
-4.34765773 3.69684661 -12.39860144
-0.00039425 -0.00027502 -0.00016522
0.02935930 0.02773108 0.02791781
-7.66890237 1.72486668 -7.47655571
-0.00035374 -0.00110340 -0.00042537
0.00313367 -0.01551659 0.01474692
-6.21992588 3.31089696 -9.52322845
0.00087821 0.00006159 -0.00039998
-0.02253701 -0.01346224 0.01871842
2.97128135 27.93308663 7.17090885
0.00032935 -0.00092702 0.00006406
0.01259785 0.00444234 -0.03674099
1.10769677 28.74477293 9.11047302
0.00036963 0.00064976 -0.00012329
0.00931680 -0.01454954 0.00241862
10.62462387 -7.41216935 -0.72257513
-0.00007850 0.00016024 0.00038556
-0.01460064 0.02086827 -0.01242318
8.42937334 -7.35655687 -2.70870014
-0.00026712 -0.00072920 0.00061161
0.00767192 0.00785721 0.00717492
-7.09360444 0.22566065 6.83532605
0.00038448 -0.00056994 0.00039369
-0.00059389 0.00500151 -0.00955262
-9.90335919 0.06262002 7.26138230
-0.00048679 0.00164550 -0.00048719
0.00061211 0.00527766 -0.01172291
21.41544493 10.74032393 10.29551803
-0.00089647 0.00111970 0.00050854
0.00427027 -0.00142477 0.00409760
20.54816792 12.72770117 8.32206856
-0.00073769 0.00055944 -0.00022539
0.00226621 -0.02995255 0.00202978
-1.05201599 -3.27949739 -26.43398739
-0.00020868 0.00119110 -0.00041909
0.00539314 -0.01370513 0.00258807
-3.57991462 -2.03950822 -26.61347416
0.00045791 0.00011720 0.00091549
-0.02785239 0.00383041 0.01314231
-13.73388749 7.24845648 9.25751302
0.00060400 -0.00036877 0.00037632
0.00781172 -0.00644381 0.01082019
-15.42518392 7.32954881 7.18412314
0.00013253 0.00032552 0.00027581
-0.00697383 0.00121762 -0.01256055
-11.25753525 7.88683157 -2.51485240
-0.00001574 0.00042329 0.00077639
-0.01619425 -0.00571363 0.00208548
-8.65180075 8.23468372 -3.58984652
-0.00111213 -0.00028311 0.00025861
-0.00333613 -0.01077809 0.01324690
-1.07017003 -16.89830592 22.83236376
-0.00027048 -0.00029840 -0.00088509
0.00363114 0.00270749 -0.00085132
-3.66282432 -15.67972981 23.64859727
-0.00044982 -0.00041480 -0.00029215
0.05613028 0.01711578 -0.00356859
-2.59547626 6.40786834 -7.97763458
-0.00095726 0.00003035 -0.00026102
0.00585315 -0.00728815 -0.00011529
-4.41931470 6.70641628 -5.90517104
-0.00068393 -0.00048771 0.00056662
-0.03279474 0.01089300 0.01450239
-21.59833853 29.69602057 3.03785641
-0.00076333 0.00011675 0.00025338
0.01479504 0.01909725 0.01867417
-21.20031217 30.98914470 5.75470405
-0.00039382 -0.00040185 -0.00066435
0.01266247 -0.00544214 -0.03550578
6.82593353 0.11059663 5.92374846
-0.00024122 0.00029928 -0.00029387
0.02077114 -0.01794451 0.02291451
7.32773552 2.15212831 7.70068239
-0.00069393 0.00044852 -0.00017480
0.00674498 0.00335717 0.01789279
7.12639604 12.81008001 -13.37948451
-0.00005277 0.00010330 0.00160144
-0.01150927 -0.01090438 -0.00621377
4.70383328 11.78940799 -14.88507628
0.00144562 -0.00010685 0.00099994
-0.00702023 0.00534020 -0.01242706
14.28294336 3.81040270 -2.58653834
-0.00010068 0.00027558 0.00113591
0.00340122 -0.00173821 0.00280646
14.87311662 1.12279982 -1.80358222
0.00005949 0.00062399 0.00080143
-0.01101142 -0.02643901 0.00401054
-2.77042592 12.69250244 -0.31909682
-0.00059775 -0.00102982 0.00072629
0.00352660 -0.00264182 0.00448477
-5.55555859 13.01940667 0.66513557
0.00046088 -0.00014273 -0.00000689
0.00159490 -0.00438387 0.00079952
3.26875526 11.23475832 3.07282159
0.00001431 0.00109946 -0.00124800
0.03278476 0.02141042 -0.00811394
6.31971407 11.37536854 3.00446746
-0.00013855 -0.00081789 0.00031550
-0.01812767 0.02039892 -0.00274685
25.28475024 -12.48811643 -8.34603901
-0.00022179 -0.00021667 -0.00005508
-0.00711254 0.00419955 -0.01416500
26.71769497 -11.65922719 -10.97735630
-0.00068800 0.00056446 -0.00036628
-0.03403429 0.00930503 0.00514524
15.18909154 -3.25772285 0.25460168
0.00168524 0.00113957 0.00067856
0.01327143 -0.00102819 -0.01233231
16.97234841 -5.40862679 -0.59212093
-0.00020630 0.00095006 -0.00037144
0.00386829 -0.00990475 -0.00378068
12.12852080 7.82266104 11.78255456
-0.00049346 0.00008342 -0.00047995
0.02192325 0.01710017 -0.03119931
13.43236747 9.71904838 9.67069148
-0.00029574 -0.00030468 -0.00032811
-0.00098252 0.00166272 0.00384380
-0.08233703 -14.65484815 17.40209333
-0.00044889 0.00029997 0.00045146
-0.00293275 -0.00334483 -0.00446401
1.48771774 -12.50637931 18.54861605
-0.00001599 -0.00096407 0.00026102
0.00634132 -0.00630880 -0.00318605
-4.00684717 -2.03353589 -13.00517689
0.00000448 0.00069233 0.00074721
0.00261497 -0.02795563 0.01931607
-3.17789362 -1.44327615 -15.87030248
0.00049631 -0.00075727 0.00093246
-0.00918870 0.01440512 0.04146140
14.77199003 -8.25065994 -10.58520478
0.00018173 0.00042662 0.00051461
0.00040663 0.01588302 0.02009108
16.37375375 -6.04853851 -8.99525409
-0.00050775 -0.00046072 0.00071777
-0.01840407 -0.02918182 -0.01382830
6.91703810 -6.07252723 8.43102967
0.00073807 0.00043209 -0.00066017
-0.01478887 0.01690631 0.00536051
9.60179612 -6.57091244 7.75435189
-0.00006893 0.00027544 0.00040646
0.03110780 0.01031845 -0.02627894
-21.75798924 1.99679505 21.11946984
0.00037506 -0.00006494 -0.00086391
0.01210748 0.00377914 -0.00843712
-22.40452604 1.47934787 23.82603646
0.00012033 0.00042115 -0.00038316
0.00766093 -0.00538372 0.00444787
26.74183351 -2.96690427 -6.69174902
0.00019109 -0.00005569 -0.00012978
0.00557280 0.00305632 0.00483352
25.27418738 -1.48303891 -8.79085490
0.00000688 0.00041686 -0.00061954
0.00514155 -0.00504141 0.00457716
9.89233752 -15.63243188 -7.79151036
0.00074014 -0.00047640 -0.00040400
-0.00590817 -0.02719258 0.00911981
9.38574508 -12.93612140 -6.88089125
0.00026624 0.00045048 -0.00043891
-0.00324274 0.00054163 -0.00850108
-5.98634568 -11.37818528 18.20823202
0.00018451 0.00004277 -0.00021312
0.01903688 0.02634555 0.02582057
-6.95496540 -11.38368038 15.48807625
0.00051622 0.00045844 0.00014237
-0.00032363 0.00316384 0.00228993
8.32342062 1.40100279 -29.47821039
0.00012974 -0.00032839 -0.00045671
0.02289989 -0.02682101 0.00146623
6.00948955 2.84586629 -30.00649906
-0.00037895 -0.00139663 -0.00053844
0.02016003 0.00884153 0.00493191
12.78241842 15.02535995 14.51636191
0.00001846 -0.00090356 -0.00058378
-0.01967038 0.01565249 0.01437186
11.21765135 15.95718327 17.15327126
0.00002216 0.00025151 -0.00100996
0.00614858 0.00375689 0.00611091
29.30403795 4.92770836 -4.58301324
0.00023562 0.00019787 -0.00054186
-0.00492914 -0.00294198 -0.00832095
26.94135714 6.72117577 -3.82931346
0.00006141 0.00088918 0.00037407
0.02044071 -0.00876072 -0.00009219
-9.94791488 4.90928050 6.56973767
-0.00002021 0.00018881 -0.00022534
-0.00040670 0.01064539 0.00248469
-8.77990415 13.35223087 2.59486741
-0.00012073 0.00005605 0.00000436
-0.00469017 -0.00358485 0.00447581
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09518428
0.30467064
405.95835337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3912244029 (a.u.)
total exchange computation time: 2.6458261013 s
-154.3485846732
-931.39481587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3907843527 (a.u.)
total exchange computation time: 2.6452870369 s
-154.3536776914
Anderson extrapolation: theta=1.4282730484 (1.4282730484)
-931.39505905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3901622865 (a.u.)
total exchange computation time: 2.6465351582 s
-154.3611113228
Anderson extrapolation: theta=0.0819384961 (0.0819384961)
-931.39522133
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3901255614 (a.u.)
total exchange computation time: 2.6457149982 s
-154.3618262751
Anderson extrapolation: theta=2.4795876475 (2.0000000000)
-931.39523297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3900819765 (a.u.)
total exchange computation time: 2.6491529942 s
-154.3630664512
Anderson extrapolation: theta=0.4884895026 (0.4884895026)
-931.39524901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3900974379 (a.u.)
total exchange computation time: 2.6463270187 s
-154.3633648453
Anderson extrapolation: theta=0.7639494191 (0.7639494191)
-931.39525375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3901453667 (a.u.)
total exchange computation time: 2.6459610462 s
-154.3632598626
Anderson extrapolation: theta=0.6269208085 (0.6269208085)
-931.39525614
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3902033836 (a.u.)
total exchange computation time: 2.6491351128 s
-154.3629236326
Anderson extrapolation: theta=0.5996812982 (0.5996812982)
-931.39525693
-72.720225 68.213112 97.344784
558.912111 1031.446427 -410.047775
486.191886 1099.659539 -312.702991
1242.343274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3902550361 (a.u.)
total exchange computation time: 2.6465380192 s
679.19939756
-1084.34891968
89.85739979
-388.78431285
-174.92856679
78.66484289
551.60419304
0.00000000
-931.39525702
4.06567800 -31.22402612 -2.21718551
0.00001711 -0.00047165 0.00004062
-0.00172207 0.00485590 -0.00310296
-11.49165195 -1.55454635 -9.30305023
-0.00014200 0.00021803 -0.00013704
-0.00590670 -0.01427452 0.00845653
-37.52335160 2.41868896 0.21964332
-0.00001026 -0.00001020 0.00002375
0.00937432 -0.03417850 0.02665857
-11.71238951 -4.20048413 3.96619266
0.00001082 -0.00010229 0.00013734
-0.03754358 0.00907934 0.01465536
4.12222958 -4.02049112 8.98673571
-0.00020086 -0.00001684 -0.00037816
-0.00586077 -0.02689832 0.00615271
-32.47287001 -0.32728728 -0.16946665
-0.00063387 0.00017272 0.00048093
-0.01746529 -0.00042337 0.01592688
14.35794428 12.48860185 -13.61416092
-0.00017374 -0.00013194 0.00038718
-0.07291051 0.01416890 -0.04165402
-7.73512200 6.06505507 2.66159264
-0.00004917 0.00003003 0.00008961
-0.00959240 0.03891168 0.04659203
7.38043751 12.32283488 -6.02090440
-0.00033871 -0.00031587 -0.00030026
-0.01068239 -0.01189797 0.00297300
8.81933346 9.93601550 -19.03950108
-0.00000482 0.00003628 -0.00020493
-0.01291163 0.00044246 0.02486735
23.16449710 17.33364912 -2.27201222
-0.00005562 0.00003712 -0.00021351
0.02911744 -0.01592330 -0.01470716
2.10815109 16.81061827 -19.63538258
-0.00002787 -0.00000122 0.00005000
-0.02268833 0.03034551 -0.01126578
13.97835443 -0.99438122 -5.76551367
-0.00004109 0.00026600 -0.00013587
0.01995244 -0.00779151 -0.02561856
-16.04955783 -1.36026271 3.25042366
-0.00008210 -0.00008520 -0.00005774
-0.00304984 -0.01402255 -0.01107150
-16.29045549 -2.14354873 18.82208620
0.00052511 -0.00034433 -0.00004682
-0.01878972 0.01505693 0.00751166
0.49004359 2.10054915 -4.77873587
0.00013852 0.00009581 0.00026317
-0.02996094 -0.02209199 -0.00184908
22.76180548 -7.10935466 -8.81609862
0.00005207 0.00004058 0.00003258
-0.04752148 0.02529074 0.00161217
-0.76884288 -6.31526664 7.28621755
-0.00001819 -0.00005352 0.00011454
0.01069833 -0.01053767 -0.01092656
-1.75254855 -1.36631835 -19.33603099
-0.00009786 -0.00002313 -0.00002316
0.03123920 -0.01802553 0.00917287
3.18596134 1.74661842 -9.29286129
-0.00007717 -0.00022582 -0.00000404
-0.01315152 0.00469869 0.01815914
-3.74396438 17.72633218 12.31594992
0.00042030 -0.00012351 0.00001437
0.02062773 -0.01720497 -0.01200906
-3.80141589 5.07294020 -11.13336990
0.00001684 0.00017076 -0.00017692
-0.07074682 -0.01187818 -0.03963887
-7.91714572 2.77292975 -8.91391000
0.00002110 -0.00019999 0.00015900
0.02091631 0.03234930 -0.03346642
2.43312092 27.48641900 8.78869534
0.00015406 0.00009566 0.00030533
-0.02903822 0.00611049 0.03957532
9.57477117 -6.23172826 -1.78219269
-0.00031833 0.00001726 0.00007428
0.00493674 -0.02801934 0.01018294
-8.70512523 0.80385263 6.06247956
0.00000065 -0.00015594 0.00028562
0.00888755 -0.01571927 0.02095500
20.43176369 10.85474026 8.76989775
0.00019743 0.00006427 -0.00013343
-0.00319173 0.03361199 -0.01262577
-2.03444617 -2.17097351 -27.50445679
0.00034928 -0.00018561 -0.00030520
-0.00007128 0.01105107 -0.01468852
-14.26674248 6.14046487 7.91702964
0.00015369 -0.00000568 0.00031682
0.00539711 0.00568559 -0.00003423
-9.59148629 7.24819708 -2.24595449
-0.00009304 -0.00010705 0.00045802
0.00716049 0.00990226 -0.01066756
-1.75738937 -15.24743073 23.32599553
0.00011470 0.00048958 -0.00038229
-0.06118658 -0.02804417 0.00142057
-2.70961299 6.32632267 -6.14639751
0.00004308 -0.00005309 0.00021066
0.01859780 -0.00925979 -0.01386470
-20.24576016 30.49868505 4.16511864
-0.00029041 -0.00072628 0.00002820
-0.03005093 0.00010607 0.02142104
7.71075909 0.36236221 7.61557181
0.00015504 0.00034665 -0.00022977
-0.02256551 0.01937158 -0.03161323
5.74339385 11.45110229 -13.46873009
-0.00006728 -0.00037955 0.00003096
0.03111642 -0.01910133 0.01953090
15.54978341 2.75061994 -1.76493898
0.00007687 0.00001420 0.00018129
0.01802409 0.04568775 -0.00011789
-4.43755656 13.21529959 -0.78610487
-0.00012653 -0.00031821 0.00002077
0.00072438 0.00348172 -0.01368368
4.74615546 12.48984710 2.73136140
0.00003701 0.00015028 -0.00049933
-0.01338240 -0.03623331 0.01379150
25.07706296 -11.51676225 -9.92548183
0.00011742 0.00008718 -0.00002987
0.01878729 -0.01849608 0.02291568
16.74747787 -3.60084385 -0.70733011
0.00020433 0.00013277 -0.00011421
-0.01035758 0.02053936 0.01243768
13.25341002 7.96438033 10.20330884
0.00044311 -0.00015165 0.00020079
-0.01195487 -0.03035046 0.02073586
1.65259022 -14.05537235 17.56629578
0.00029540 0.00000644 -0.00011514
0.00392246 0.01245450 0.00533361
-3.80190511 -0.72013641 -14.18155870
0.00039701 0.00002479 -0.00001243
0.00262203 0.01705830 -0.05965993
15.01361500 -7.52411840 -8.86090547
-0.00004585 0.00016757 -0.00001460
0.01583518 -0.00876615 -0.01270799
8.37406233 -7.04763498 8.92042867
-0.00007548 -0.00002688 0.00018492
-0.00376581 0.00006134 0.02379208
-21.10439227 2.31423789 22.81242692
0.00005836 0.00009191 0.00026469
-0.01452052 0.00282481 -0.00758810
25.69761166 -3.19014813 -8.16617252
0.00005689 0.00018237 -0.00016958
-0.00497845 0.00980666 -0.00556659
9.89291028 -13.93520049 -8.34674771
0.00004445 0.00013831 -0.00033208
0.00000967 0.01279251 0.00113264
-6.72840039 -12.41208599 16.98571724
0.00003158 0.00011207 0.00000140
-0.01164204 -0.01667298 -0.03144957
7.77370020 3.07840044 -29.31580635
-0.00046996 -0.00029723 0.00007314
-0.03903534 0.01086478 -0.01312518
11.01747176 15.56948108 15.40100408
0.00023552 0.00040092 0.00020984
0.00104518 -0.01305298 -0.03186496
28.73123926 6.25018639 -3.44708661
0.00008159 0.00022228 -0.00017407
-0.01466282 0.01486259 0.01434236
5.34353752 -31.74223841 -3.47167073
0.00012362 -0.00087720 -0.00004261
-0.00364105 0.00272643 0.00856775
4.73370958 -31.26266919 -0.46040326
0.00072724 -0.00031687 0.00006463
-0.00605527 -0.00898097 -0.00935587
-12.02089495 -3.28596632 -9.07615615
-0.00019977 0.00081152 -0.00064890
0.00187682 -0.01025591 0.00605741
-12.39181672 -1.05169321 -10.75981341
0.00052212 0.00085657 -0.00001568
-0.00831771 0.01383572 -0.02016074
-38.99781431 2.07188037 1.24802621
-0.00022490 0.00041361 0.00071216
0.00414563 0.00470123 -0.00582039
-37.91015810 3.76064620 -0.85019261
0.00009676 -0.00021819 0.00028202
-0.01096260 0.03873608 -0.02860239
-10.74648462 -5.56690610 3.34318406
-0.00064647 0.00077680 -0.00022785
0.02003020 -0.01878011 -0.01031780
-10.76654795 -2.68753298 3.86807159
0.00013694 -0.00048629 0.00063927
0.01663963 0.01388075 0.00048401
4.39979385 -2.37327193 8.37025637
-0.00075842 -0.00066882 0.00027874
0.00612157 0.02224342 -0.00809071
3.88120143 -3.83066251 10.80801194
-0.00089241 -0.00076175 -0.00075750
0.00638007 -0.00220683 -0.00448699
-34.00619426 -1.33563444 -0.02173990
-0.00091638 0.00058828 0.00065286
0.00888303 0.00201143 -0.00674434
-32.97579341 1.15464236 0.82622991
-0.00019878 0.00004557 -0.00109235
0.00602945 -0.00725268 -0.01133518
13.69348642 12.80166637 -15.44181767
-0.00103037 0.00053854 -0.00018660
0.02171328 -0.00546199 0.04158250
16.08871082 12.48355367 -13.71106567
0.00006314 0.00054768 -0.00110843
0.05936861 -0.00465220 -0.01005445
-8.46899296 7.45220891 1.74309907
0.00041794 0.00088540 0.00026751
-0.00175730 0.00669647 -0.00173986
-7.37966777 4.98959188 1.35438973
0.00031933 -0.00041339 -0.00002260
0.01237984 -0.04942956 -0.04591751
6.15609740 12.41582015 -7.36494008
0.00068958 0.00019210 -0.00045815
-0.00309853 -0.00209189 -0.00220503
8.76741946 13.40488090 -6.59052470
-0.00035569 -0.00054922 0.00043565
0.01655943 0.01738650 -0.00229331
8.51280548 8.59643282 -20.16661333
0.00039233 -0.00050756 0.00040906
0.00375647 -0.01749950 -0.01924641
10.28399734 10.90859538 -19.48285136
0.00074550 -0.00103806 0.00069051
0.01447117 0.00503558 -0.00752376
24.13701027 15.73953892 -2.78372957
0.00027907 -0.00005781 -0.00016929
-0.01478283 0.01389791 0.01002425
24.45533534 18.58710992 -2.70201031
-0.00129675 0.00090126 -0.00094215
-0.00065036 -0.00154636 0.00209394
1.76597641 16.97684474 -21.47791274
-0.00080608 0.00045426 -0.00110297
-0.00524747 -0.00347112 0.01026118
3.51499202 15.71953410 -19.56501892
0.00019205 -0.00000167 0.00039693
0.02216263 -0.02533672 0.00904605
12.66178677 -1.43277561 -7.03165764
0.00084542 -0.00117828 -0.00051313
0.00638859 0.00785982 0.01757777
13.39885470 -0.88818885 -4.09208086
-0.00051998 -0.00013367 -0.00037413
-0.02138937 -0.00544302 0.01600618
-17.61902758 -2.03088686 2.64475568
0.00026165 0.00076109 0.00108184
-0.01612109 -0.00085357 0.00481448
-14.92740488 -2.73938994 2.78317253
-0.00075137 -0.00022461 -0.00056886
0.01085442 0.00283200 0.01320545
-16.72239429 -0.71457559 19.93866162
0.00038156 -0.00019559 -0.00116577
0.01162132 -0.00476399 -0.01015604
-15.16744448 -3.17345120 19.79294496
0.00016107 0.00052986 -0.00020700
0.00917973 -0.00818610 0.00313472
-0.49971978 0.44621861 -4.90838994
0.00018227 0.00026518 -0.00021424
0.01698723 0.00951291 -0.00154010
-1.00697773 3.17049120 -4.97065927
-0.00078294 -0.00025504 -0.00021950
0.00995843 0.01339432 -0.00295338
23.39941890 -8.72852803 -9.17041561
0.00045593 0.00024185 -0.00026563
0.02744775 -0.02471169 -0.00596633
23.94921652 -5.78255146 -8.45303994
-0.00006974 0.00010036 0.00066729
0.01395091 0.00085355 0.00148886
0.07865217 -6.30071449 5.64249855
-0.00079906 -0.00010440 -0.00068187
-0.01226942 0.00320495 -0.00363566
0.75472092 -6.42050850 8.28051741
0.00031144 -0.00027809 -0.00032793
0.00129909 0.00948306 0.01390832
-0.39596085 -2.66699960 -19.53658042
0.00110298 0.00019786 -0.00035786
-0.01465817 0.01983656 0.01146072
-2.98780320 -2.02135517 -20.46176717
-0.00049845 -0.00009118 0.00024508
-0.02293676 -0.00607993 -0.01764522
2.77522886 3.08908435 -10.51359304
0.00059974 0.00023498 0.00108465
-0.00178697 -0.01001751 0.00366829
1.99788799 1.80254328 -7.79072573
-0.00065468 -0.00107257 0.00036561
0.01149048 0.01420603 -0.01763748
-2.12427281 16.65539614 12.28293010
-0.00075138 0.00024154 -0.00003295
-0.02230301 0.01454516 0.00753175
-3.73036602 18.50886704 13.94708989
-0.00006581 -0.00030427 0.00042413
0.01371110 0.01474755 0.01104984
-5.53196994 6.01588059 -11.09124049
-0.00068386 -0.00015834 0.00025446
0.04287976 -0.00701378 -0.00476449
-4.35267185 3.69357111 -12.40022423
-0.00027293 -0.00015916 -0.00004958
0.03002919 0.02898111 0.02868987
-7.67411238 1.70784018 -7.48248430
-0.00034012 -0.00116616 -0.00036544
0.00352881 -0.01520425 0.01458915
-6.20744331 3.31140829 -9.52865448
0.00077574 0.00000257 -0.00031859
-0.02762534 -0.01543109 0.02112175
2.97660767 27.91931740 7.17074395
0.00037961 -0.00090922 -0.00008427
0.01200308 0.00427458 -0.03586847
1.11352675 28.75407343 9.10869781
0.00040926 0.00058923 -0.00011413
0.01008185 -0.01508017 0.00206254
10.62299897 -7.40912622 -0.71717241
-0.00013894 0.00024687 0.00033372
-0.01498717 0.02153566 -0.01295403
8.42560159 -7.36725411 -2.69930610
-0.00023489 -0.00069498 0.00064141
0.00810550 0.00889461 0.00741010
-7.08785549 0.21726476 6.84093861
0.00037559 -0.00054802 0.00035322
-0.00375763 0.00573117 -0.01025546
-9.91064231 0.08746429 7.25371520
-0.00049128 0.00166072 -0.00052603
-0.00280818 0.00217276 -0.00729078
21.40212869 10.75707576 10.30327167
-0.00087805 0.00111329 0.00052644
0.00474932 -0.00171430 0.00466437
20.53717195 12.73517487 8.31874989
-0.00072765 0.00043328 -0.00021645
0.00265287 -0.03180226 0.00234916
-1.05498096 -3.26205093 -26.44019439
-0.00017627 0.00112365 -0.00039931
0.01047131 -0.01931041 0.00709441
-3.57389941 -2.03763291 -26.59933908
0.00035256 0.00013277 0.00096319
-0.02371864 0.00379191 0.01020642
-13.72458804 7.24272745 9.26348943
0.00063509 -0.00039454 0.00042043
0.00740543 -0.00617156 0.01076884
-15.42340974 7.33446896 7.18787537
0.00010697 0.00032812 0.00022723
-0.00553425 0.00005366 -0.01121778
-11.25826765 7.89300585 -2.50314262
-0.00008148 0.00039871 0.00078600
-0.01598484 -0.00631747 0.00261804
-8.66858492 8.23010675 -3.58556149
-0.00112130 -0.00032511 0.00030994
-0.00115324 -0.00977922 0.01187849
-1.07411591 -16.90269898 22.81906137
-0.00025730 -0.00027846 -0.00088560
0.00281939 0.00705323 0.00060064
-3.66785157 -15.68542725 23.64410561
-0.00021568 -0.00034199 -0.00030729
0.05847945 0.01852464 -0.00383811
-2.60965582 6.40810031 -7.98155338
-0.00093286 0.00000034 -0.00025576
0.00609322 -0.00740146 0.00268968
-4.43057856 6.69943436 -5.89622738
-0.00080482 -0.00044618 0.00062435
-0.02638078 0.00944013 0.01375756
-21.60933507 29.69835709 3.04222929
-0.00070278 0.00019262 0.00032736
0.01484094 0.01803754 0.01753956
-21.20583141 30.98295025 5.74365073
-0.00034345 -0.00042248 -0.00080357
0.01199252 -0.00466074 -0.03264187
6.82295170 0.11453591 5.92004263
-0.00015482 0.00022587 -0.00019857
0.02152170 -0.01798760 0.02373216
7.31753328 2.15895906 7.69860870
-0.00066504 0.00045822 -0.00010173
0.00739426 0.00138960 0.01787479
7.12525178 12.81129533 -13.35565330
-0.00010244 0.00005598 0.00157421
-0.01280468 -0.01225756 -0.00711504
4.72530240 11.78796888 -14.87045794
0.00139959 -0.00007931 0.00092568
-0.01550968 0.00814091 -0.02392598
14.28153742 3.81448321 -2.56941375
-0.00008835 0.00026949 0.00114582
0.00263208 -0.00124674 0.00204641
14.87367159 1.13134946 -1.79143790
0.00001008 0.00050616 0.00081748
-0.01317462 -0.03123602 0.00384607
-2.77928413 12.67697419 -0.30806510
-0.00058187 -0.00104056 0.00074325
0.00424871 -0.00261795 0.00381698
-5.54859647 13.01713133 0.66505676
0.00046256 -0.00016061 -0.00000018
-0.00077279 -0.00436430 0.00248199
3.26997452 11.25190623 3.05385288
0.00014376 0.00118340 -0.00127936
0.03058327 0.01967941 -0.00723383
6.31708032 11.36372532 3.00911586
-0.00021483 -0.00073103 0.00030272
-0.01921120 0.02211607 -0.00350888
25.28120548 -12.49123781 -8.34729927
-0.00024983 -0.00019866 -0.00011433
-0.00661392 0.00461622 -0.01483732
26.70633201 -11.65047523 -10.98269290
-0.00082188 0.00060042 -0.00034680
-0.03149752 0.00829872 0.00439197
15.21477674 -3.24066078 0.26440211
0.00173115 0.00113593 0.00063236
0.00920327 -0.00075315 -0.01028287
16.96937245 -5.39467937 -0.59780839
-0.00018939 0.00089645 -0.00038554
0.00440859 -0.01633916 -0.00312324
12.12179065 7.82443628 11.77439934
-0.00040364 0.00015285 -0.00060575
0.02204390 0.01688718 -0.03038416
13.42790128 9.71452919 9.66588762
-0.00029877 -0.00029670 -0.00031285
-0.00050326 0.00224368 0.00362833
-0.08916019 -14.65045115 17.40872848
-0.00045305 0.00028720 0.00043252
0.00089343 -0.00290286 -0.00480702
1.48767220 -12.52103374 18.55243371
0.00001068 -0.00098116 0.00025292
0.00671296 -0.00205471 -0.00077898
-4.00669982 -2.02400757 -12.99337688
0.00001522 0.00058027 0.00082554
0.00263936 -0.02690169 0.01903018
-3.17073050 -1.45419378 -15.85504510
0.00045848 -0.00069887 0.00110193
-0.00933026 0.01418291 0.04149664
14.77472842 -8.24377390 -10.57686998
0.00018302 0.00048785 0.00058829
0.00022665 0.01408695 0.01597709
16.36557349 -6.05634348 -8.98491125
-0.00058058 -0.00057650 0.00066079
-0.01724440 -0.02749418 -0.01406493
6.92765599 -6.06552783 8.42129142
0.00067450 0.00050113 -0.00063767
-0.01632933 0.01689098 0.00565247
9.60171535 -6.56646459 7.75964346
0.00005968 0.00031612 0.00029970
0.03185195 0.00959131 -0.02597903
-21.75199230 1.99593682 21.10625266
0.00042906 -0.00004720 -0.00088543
0.01432288 0.00490383 -0.00209558
-22.40248634 1.48550008 23.82042533
0.00014590 0.00039550 -0.00036083
0.00485452 -0.00717039 0.00648314
26.74487067 -2.96764596 -6.69354763
0.00021301 -0.00004275 -0.00011151
0.00515727 0.00327586 0.00411059
25.27444819 -1.47694045 -8.80000777
0.00002975 0.00039189 -0.00059889
0.00605366 -0.00718045 0.00553412
9.90325855 -15.64041119 -7.79729089
0.00071564 -0.00057613 -0.00036900
-0.00608322 -0.02162428 0.00801125
9.38963934 -12.92934757 -6.88773537
0.00025275 0.00045106 -0.00047330
-0.00336136 -0.00025845 -0.00833498
-5.98299469 -11.37673639 18.20582645
0.00026272 0.00015024 -0.00010613
0.01924552 0.02626285 0.02655284
-6.94723202 -11.37670688 15.49028199
0.00051471 0.00047027 0.00015158
-0.00041478 0.00263042 0.00221688
8.32606844 1.39525502 -29.48501614
0.00022260 -0.00043205 -0.00044982
0.02255424 -0.02392159 0.00190572
6.00442300 2.82518775 -30.01442452
-0.00029556 -0.00135858 -0.00051672
0.02066048 0.00978392 0.00569960
12.78209257 15.01228620 14.50804567
-0.00006345 -0.00083662 -0.00052189
-0.02042595 0.01711359 0.01592424
11.21817209 15.96107104 17.13830917
0.00005021 0.00027091 -0.00096502
0.00758589 0.00573801 0.01588642
29.30742117 4.93058622 -4.59139612
0.00021284 0.00018896 -0.00057337
-0.00622209 -0.00141627 -0.00710382
26.94290463 6.73424505 -3.82370527
0.00014551 0.00085197 0.00037260
0.02072905 -0.00945668 -0.00062775
-9.94821905 4.91214127 6.56636419
-0.00002033 0.00019259 -0.00022446
-0.00031318 0.01045334 0.00242886
-8.78172330 13.35306540 2.59494055
-0.00012181 0.00005520 0.00000543
-0.00461609 -0.00376161 0.00477191
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09376483
0.30149219
401.72322594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.3978297497 (a.u.)
total exchange computation time: 2.6454567909 s
-154.3543029700
-931.39332080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3967289530 (a.u.)
total exchange computation time: 2.6467518806 s
-154.3607991562
Anderson extrapolation: theta=1.1789686269 (1.1789686269)
-931.39325096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3956182051 (a.u.)
total exchange computation time: 2.6462330818 s
-154.3701152764
Anderson extrapolation: theta=0.1909343591 (0.1909343591)
-931.39338918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3953317808 (a.u.)
total exchange computation time: 2.6473739147 s
-154.3726174673
Anderson extrapolation: theta=0.9257302237 (0.9257302237)
-931.39342982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.3953187601 (a.u.)
total exchange computation time: 2.6455030441 s
-154.3753630020
Anderson extrapolation: theta=-0.5420137779 (-0.5420137779)
-931.39375042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3950668195 (a.u.)
total exchange computation time: 2.6485559940 s
-154.3741954884
Anderson extrapolation: theta=-0.1869722169 (-0.1869722169)
-931.39340079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3953446982 (a.u.)
total exchange computation time: 2.6449880600 s
-154.3750804177
Anderson extrapolation: theta=-0.7418473613 (-0.7418473613)
-931.39375742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3953405748 (a.u.)
total exchange computation time: 2.6434049606 s
-154.3750900320
Anderson extrapolation: theta=18.6604019821 (2.0000000000)
-931.39375821
-117.165733 68.245042 97.301510
558.909901 1031.454520 -410.039727
441.744168 1099.699563 -312.738217
1225.676234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3952668145 (a.u.)
total exchange computation time: 2.6436679363 s
679.27685477
-1084.50331384
89.84904630
-388.68087206
-174.94021243
78.74520692
551.60419304
0.00000000
-931.39376409
4.06592808 -31.23108221 -2.21658815
0.00001675 -0.00046932 0.00003910
0.00029771 0.00422915 -0.00279749
-11.49380471 -1.55133103 -9.30507323
-0.00014444 0.00021168 -0.00013246
-0.00359329 -0.01040273 0.00937112
-37.52346927 2.41840409 0.22010240
-0.00000603 -0.00002824 0.00003828
0.00706424 -0.03596817 0.02984377
-11.71237204 -4.20198344 3.96830930
-0.00000956 -0.00009671 0.00014553
-0.04172044 0.01260737 0.01720162
4.11919403 -4.02084751 8.98108701
-0.00020407 -0.00003254 -0.00037492
-0.00662438 -0.03414857 0.00645792
-32.48244536 -0.32469804 -0.16219124
-0.00064224 0.00017095 0.00048795
-0.01508899 -0.00646933 0.01135912
14.35505698 12.48667734 -13.60851386
-0.00021015 -0.00012447 0.00036503
-0.06869449 0.01491144 -0.04447793
-7.73589652 6.06565557 2.66311652
-0.00005404 0.00004957 0.00011211
-0.00935113 0.03707925 0.04090402
7.37531571 12.31805090 -6.02539687
-0.00034361 -0.00032221 -0.00029794
-0.00840381 -0.01274231 0.00607645
8.81921138 9.93656140 -19.04247917
-0.00001177 0.00003633 -0.00019218
-0.01413256 -0.00024758 0.02471670
23.16377512 17.33414447 -2.27527159
-0.00004082 0.00002871 -0.00022086
0.02845220 -0.01678683 -0.01387884
2.10764547 16.81071710 -19.63467605
-0.00003961 0.00001423 0.00004270
-0.02295012 0.02972446 -0.01710945
13.97781504 -0.99042126 -5.76765047
-0.00003071 0.00026194 -0.00014902
0.02041780 -0.00800391 -0.02554848
-16.05080109 -1.36159480 3.24951481
-0.00008207 -0.00009147 -0.00006266
0.00314943 -0.01038020 -0.00805554
-16.28265131 -2.14865561 18.82141288
0.00051462 -0.00033628 -0.00004448
-0.02199864 0.01626329 0.00160472
0.49200577 2.10190114 -4.77479544
0.00012234 0.00008515 0.00026206
-0.03294158 -0.01938511 -0.00248730
22.76240320 -7.10864843 -8.81560371
0.00002806 0.00005340 0.00003343
-0.04582234 0.02457481 0.00168468
-0.76907451 -6.31611013 7.28789355
-0.00001256 -0.00005888 0.00010847
0.01120814 -0.01029785 -0.01270185
-1.75389594 -1.36673480 -19.33634306
-0.00008126 -0.00003298 -0.00001895
0.03329518 -0.02027079 0.00720452
3.18475310 1.74324921 -9.29285183
-0.00008415 -0.00022420 0.00000650
-0.01400012 0.00161339 0.02282501
-3.73758033 17.72441315 12.31611910
0.00042952 -0.00013119 0.00000881
0.01522346 -0.01265763 -0.00958324
-3.80143618 5.07545583 -11.13617668
-0.00001986 0.00016464 -0.00019716
-0.07197360 -0.01191984 -0.03903997
-7.91674851 2.77005464 -8.91165411
0.00003283 -0.00018316 0.00014160
0.02469389 0.03309442 -0.03420569
2.43531973 27.48787751 8.79342790
0.00013941 0.00009900 0.00032504
-0.02792783 0.00685285 0.03707338
9.57001520 -6.23157744 -1.78103919
-0.00031584 0.00000268 0.00007954
0.00477834 -0.02867224 0.01027562
-8.70508115 0.80145292 6.06684464
0.00000690 -0.00016335 0.00029529
0.01542420 -0.01312009 0.01665361
20.43471284 10.85583392 8.76784759
0.00019564 0.00008183 -0.00014001
-0.00378743 0.03470329 -0.01296655
-2.02920721 -2.17371501 -27.50909147
0.00034663 -0.00017851 -0.00031303
-0.01025047 0.01656372 -0.01573394
-14.26441625 6.14040155 7.92178182
0.00015615 -0.00000248 0.00031649
0.00414166 0.00677342 -0.00126151
-9.59285425 7.24662948 -2.23912528
-0.00009005 -0.00010208 0.00045281
0.00446367 0.00943875 -0.00962272
-1.75590495 -15.24019515 23.32026666
0.00008323 0.00047392 -0.00038187
-0.06118404 -0.03285086 0.00021994
-2.70889509 6.32549061 -6.14329103
0.00005068 -0.00005743 0.00020316
0.01094565 -0.00760686 -0.01532613
-20.25023217 30.48779126 4.16562434
-0.00030527 -0.00072616 0.00003861
-0.02776924 0.00034251 0.01905805
7.71299767 0.36763666 7.61200340
0.00014329 0.00035706 -0.00024597
-0.02312781 0.02110467 -0.03141227
5.74250466 11.44533541 -13.46819028
-0.00004892 -0.00038962 0.00004396
0.04029926 -0.02008527 0.03098845
15.55100593 2.75100912 -1.76222009
0.00008666 0.00003824 0.00018140
0.02004782 0.04781584 0.00054755
-4.43945173 13.21053987 -0.78584605
-0.00012565 -0.00031645 0.00001352
0.00269983 0.00336465 -0.01453824
4.74665903 12.49196154 2.72392459
0.00003120 0.00013195 -0.00049228
-0.00922395 -0.03506298 0.01364788
25.07889672 -11.51552584 -9.92584145
0.00012608 0.00007791 -0.00001770
0.01489697 -0.01757200 0.02441963
16.75050292 -3.59877310 -0.70899521
0.00019992 0.00014472 -0.00010861
-0.00680469 0.02595444 0.00933766
13.26001051 7.96198845 10.20640065
0.00043702 -0.00016721 0.00021111
-0.01170961 -0.03012593 0.01941661
1.65703640 -14.05522776 17.56458922
0.00029632 0.00001156 -0.00011303
-0.00037612 0.00748537 0.00289238
-3.79593978 -0.71969876 -14.18197528
0.00039799 0.00003324 -0.00004172
0.00117264 0.01580982 -0.05423194
15.01298828 -7.52163864 -8.86117343
-0.00003814 0.00016293 -0.00001994
0.01417893 -0.00926942 -0.00808002
8.37291566 -7.04803795 8.92329423
-0.00007709 -0.00002656 0.00019669
-0.00251734 0.00118317 0.02196750
-21.10357285 2.31562741 22.81636801
0.00005114 0.00009357 0.00025873
-0.01355348 0.00364625 -0.01559669
25.69844576 -3.18737470 -8.16873767
0.00005431 0.00018776 -0.00017240
-0.00502856 0.01114194 -0.00540825
9.89357708 -13.93307656 -8.35172460
0.00004453 0.00014340 -0.00033125
0.00030345 0.00700956 0.00209460
-6.72797160 -12.41046922 16.98561685
0.00002568 0.00010386 -0.00001453
-0.01129559 -0.01527386 -0.03046134
7.76650023 3.07398384 -29.31475993
-0.00048972 -0.00029284 0.00006616
-0.03782080 0.00623096 -0.01399078
11.02100862 15.57544453 15.40402883
0.00023578 0.00039344 0.00019081
-0.00003190 -0.01603308 -0.04215259
28.73240654 6.25357791 -3.44964230
0.00007447 0.00022955 -0.00016693
-0.01300375 0.01340952 0.01342974
5.34528032 -31.75531287 -3.47204728
0.00010604 -0.00086488 -0.00000634
-0.00496869 0.00330495 0.00918357
4.74443263 -31.26769743 -0.45972048
0.00070044 -0.00035300 0.00002399
-0.00706231 -0.00870525 -0.01053727
-12.02383397 -3.27410774 -9.08570402
-0.00019530 0.00076106 -0.00062336
0.00031089 -0.01444518 0.00644646
-12.38423979 -1.03842065 -10.76066642
0.00048681 0.00091392 -0.00010088
-0.00896842 0.01423406 -0.02154518
-39.00106080 2.07822857 1.25853023
-0.00020241 0.00043385 0.00068397
0.00686518 0.00520797 -0.00797828
-37.90904258 3.75856032 -0.84683877
0.00005107 -0.00005665 0.00016253
-0.01140356 0.04034042 -0.02988874
-10.75556796 -5.55582952 3.33945018
-0.00055736 0.00068866 -0.00027516
0.02359451 -0.02436616 -0.01284259
-10.76398390 -2.69440196 3.87767551
0.00020652 -0.00042555 0.00064129
0.01741901 0.01584953 0.00050416
4.38860516 -2.38262265 8.37418955
-0.00073135 -0.00056307 0.00024024
0.00712800 0.02952112 -0.01075711
3.86801072 -3.84215635 10.79651200
-0.00086695 -0.00077008 -0.00077084
0.00608310 -0.00187058 -0.00204639
-34.01966779 -1.32674858 -0.01215368
-0.00087969 0.00059628 0.00062530
0.00907911 0.00190484 -0.00674795
-32.97859030 1.15510365 0.80949730
-0.00017837 0.00002872 -0.00112975
0.00395998 -0.00099717 -0.00696974
13.67869617 12.80957713 -15.44334245
-0.00093970 0.00051467 -0.00001108
0.02267315 -0.00622173 0.04433791
16.09147721 12.49162631 -13.72800017
0.00029526 0.00052895 -0.00114885
0.05425451 -0.00451629 -0.00973350
-8.46277765 7.46569513 1.74705839
0.00041390 0.00090647 0.00026240
-0.00022467 0.00361456 -0.00075964
-7.37449850 4.98187640 1.35264371
0.00036656 -0.00060569 -0.00020082
0.01074327 -0.04470287 -0.04132462
6.16634613 12.41863749 -7.37187988
0.00067029 0.00018354 -0.00047325
-0.00634456 -0.00209551 -0.00518751
8.76259153 13.39717533 -6.58406019
-0.00028536 -0.00047604 0.00042589
0.01787003 0.01843507 -0.00248687
8.51880558 8.58828313 -20.16106715
0.00040785 -0.00057907 0.00033112
0.00384080 -0.01750305 -0.01890742
10.29562332 10.89317875 -19.47272432
0.00080627 -0.00101575 0.00065935
0.01527572 0.00588504 -0.00772935
24.14074339 15.73909758 -2.78596173
0.00021883 0.00000102 -0.00012810
-0.01470668 0.01490049 0.01013882
24.43586413 18.60058139 -2.71607843
-0.00129751 0.00089393 -0.00093344
0.00027999 -0.00204128 0.00217229
1.75372441 16.98355231 -21.49414281
-0.00082286 0.00043765 -0.00104773
-0.00296648 -0.00465952 0.01677579
3.51855196 15.71873258 -19.55878781
0.00027827 -0.00010162 0.00043166
0.02003890 -0.02358634 0.00795555
12.67466386 -1.45020891 -7.03881590
0.00087042 -0.00114586 -0.00044127
0.00584853 0.00800797 0.01759734
13.39039956 -0.89036065 -4.09720228
-0.00060754 -0.00015603 -0.00030818
-0.02147220 -0.00550268 0.01627662
-17.61559689 -2.01949667 2.66113076
0.00018152 0.00075205 0.00109601
-0.02309920 -0.00357071 0.00212380
-14.93834276 -2.74267231 2.77504422
-0.00070537 -0.00021446 -0.00051542
0.01165958 0.00213499 0.01295806
-16.71631475 -0.71765536 19.92086392
0.00042731 -0.00020990 -0.00120245
0.01077440 -0.00224179 -0.00779952
-15.16474716 -3.16575412 19.78993609
0.00020652 0.00048878 -0.00018706
0.01306701 -0.01192263 0.00662435
-0.49646515 0.45048780 -4.91165077
0.00025154 0.00030183 -0.00022005
0.01691806 0.00842828 -0.00130122
-1.01841671 3.16707611 -4.97404229
-0.00073558 -0.00020330 -0.00023068
0.01322594 0.01193031 -0.00251986
23.40709893 -8.72565748 -9.17458294
0.00056743 0.00014255 -0.00028931
0.02713037 -0.02389526 -0.00562443
23.94859791 -5.78101984 -8.44298501
-0.00001424 0.00010265 0.00067268
0.01321781 0.00026607 0.00114904
0.06629032 -6.30218235 5.63215905
-0.00085015 -0.00009130 -0.00069152
-0.01274049 0.00320799 -0.00108914
0.75943231 -6.42438923 8.27602472
0.00031606 -0.00023948 -0.00027282
0.00096375 0.00941782 0.01306479
-0.37986532 -2.66342382 -19.54159720
0.00103559 0.00028338 -0.00031097
-0.01832771 0.02202760 0.01149330
-2.99598281 -2.02290920 -20.45863167
-0.00058768 -0.00011586 0.00017538
-0.02074087 -0.00599848 -0.01647370
2.78417018 3.09230210 -10.49721095
0.00058995 0.00019949 0.00109429
-0.00300463 -0.00735451 0.00105310
1.98841990 1.78689010 -7.78578200
-0.00060347 -0.00101315 0.00028905
0.01357514 0.01487725 -0.01984270
-2.13622694 16.65946499 12.28266671
-0.00083242 0.00029517 -0.00000267
-0.01736523 0.01170758 0.00728674
-3.73093307 18.50475482 13.95379051
-0.00000964 -0.00024695 0.00046412
0.01378808 0.01331185 0.00852379
-5.54091389 6.01329052 -11.08756965
-0.00050614 -0.00018747 0.00023432
0.04411773 -0.00724471 -0.00509483
-4.35584560 3.69207175 -12.40008874
-0.00014972 -0.00003985 0.00006766
0.03028341 0.02942485 0.02869924
-7.67910612 1.68988187 -7.48751878
-0.00032527 -0.00122639 -0.00030777
0.00374385 -0.01427882 0.01363862
-6.19665380 3.31097391 -9.53278604
0.00065482 -0.00006360 -0.00022845
-0.03156491 -0.01695940 0.02299896
2.98266962 27.90581014 7.16838081
0.00042609 -0.00089292 -0.00022546
0.01074903 0.00370286 -0.03324688
1.11997461 28.76244971 9.10704901
0.00045104 0.00052750 -0.00010628
0.01037118 -0.01513439 0.00178361
10.62045556 -7.40476326 -0.71256359
-0.00020005 0.00033514 0.00028066
-0.01492338 0.02167328 -0.01301755
8.42232660 -7.37740622 -2.68945793
-0.00020146 -0.00065706 0.00067171
0.00826108 0.00966526 0.00742401
-7.08233684 0.20922011 6.84592264
0.00035435 -0.00052334 0.00031023
-0.00663597 0.00634800 -0.01078941
-9.91809753 0.11244171 7.24560129
-0.00051022 0.00166326 -0.00054635
-0.00646392 -0.00092988 -0.00265544
21.38910352 10.77372252 10.31131117
-0.00085822 0.00110576 0.00054587
0.00495836 -0.00197147 0.00484672
20.52633856 12.74069954 8.31557520
-0.00071590 0.00030115 -0.00020652
0.00309464 -0.03287483 0.00251056
-1.05730418 -3.24578793 -26.44596661
-0.00012341 0.00103386 -0.00036125
0.01540386 -0.02464400 0.01153723
-3.56933783 -2.03552521 -26.58457848
0.00026569 0.00014791 0.00099781
-0.01880480 0.00361968 0.00674120
-13.71483474 7.23662020 9.27012582
0.00066424 -0.00041934 0.00046387
0.00686348 -0.00596642 0.01049467
-15.42197473 7.33939241 7.19094009
0.00008777 0.00032569 0.00018455
-0.00386591 -0.00124146 -0.00967757
-11.25997971 7.89879295 -2.49127239
-0.00014536 0.00037139 0.00079783
-0.01528370 -0.00705550 0.00317404
-8.68543977 8.22493044 -3.58054847
-0.00112132 -0.00036252 0.00035496
0.00114467 -0.00853229 0.01016176
-1.07788901 -16.90665978 22.80579578
-0.00024714 -0.00024129 -0.00088024
0.00215435 0.01114235 0.00202251
-3.66929483 -15.68998939 23.63937872
0.00002524 -0.00026406 -0.00032313
0.05945193 0.01962119 -0.00391959
-2.62346195 6.40787867 -7.98530734
-0.00090753 -0.00003006 -0.00023931
0.00630626 -0.00747987 0.00536304
-4.44345919 6.69303099 -5.88644057
-0.00089750 -0.00041080 0.00067848
-0.01898782 0.00787823 0.01273950
-21.61942207 29.70179907 3.04767711
-0.00064337 0.00026328 0.00039570
0.01424499 0.01655369 0.01591704
-21.21061568 30.97647017 5.73059692
-0.00029686 -0.00043934 -0.00092918
0.01081440 -0.00358913 -0.02884269
6.82128886 0.11737281 5.91779124
-0.00006612 0.00015245 -0.00010124
0.02189793 -0.01795306 0.02391452
7.30778420 2.16587498 7.69763049
-0.00063359 0.00045989 -0.00002900
0.00800089 -0.00057434 0.01772789
7.12332277 12.81175944 -13.33225814
-0.00015688 0.00000359 0.00154332
-0.01384492 -0.01338609 -0.00800778
4.74582100 11.78702869 -14.85730593
0.00131965 -0.00004014 0.00080488
-0.02362276 0.01103110 -0.03520727
14.28029278 3.81848731 -2.55216374
-0.00007940 0.00026557 0.00115251
0.00175174 -0.00067225 0.00122892
14.87341914 1.13798476 -1.77905787
-0.00004693 0.00037190 0.00083304
-0.01473450 -0.03448750 0.00376951
-2.78788195 12.66128551 -0.29679944
-0.00056354 -0.00105105 0.00075729
0.00472341 -0.00251280 0.00305567
-5.54168172 13.01458851 0.66513007
0.00045456 -0.00017833 0.00001335
-0.00314252 -0.00431345 0.00414393
3.27306811 11.27026022 3.03444084
0.00026246 0.00125909 -0.00130691
0.02752255 0.01737488 -0.00625285
6.31326918 11.35343751 3.01354921
-0.00029451 -0.00063791 0.00028697
-0.01979365 0.02346785 -0.00420546
25.27725538 -12.49407629 -8.34946886
-0.00027561 -0.00017955 -0.00017535
-0.00600458 0.00474092 -0.01503459
26.69303869 -11.64121466 -10.98776034
-0.00094405 0.00063207 -0.00033105
-0.02830661 0.00719326 0.00332054
15.24102598 -3.22364487 0.27357234
0.00175979 0.00113370 0.00059530
0.00481468 -0.00034156 -0.00785617
16.96666668 -5.38173331 -0.60368726
-0.00017048 0.00081726 -0.00039700
0.00484855 -0.02242395 -0.00248376
12.11641149 7.82724647 11.76438198
-0.00031429 0.00022097 -0.00072686
0.02169423 0.01645822 -0.02890021
13.42340425 9.71014750 9.66130613
-0.00029984 -0.00028678 -0.00029847
-0.00001989 0.00260910 0.00340658
-0.09592859 -14.64623206 17.41506903
-0.00044170 0.00027624 0.00041212
0.00466392 -0.00246186 -0.00517929
1.48803806 -12.53581410 18.55620363
0.00003871 -0.00098055 0.00025499
0.00700801 0.00235239 0.00179485
-4.00639070 -2.01612794 -12.98041057
0.00002660 0.00047445 0.00090025
0.00293161 -0.02489747 0.01753683
-3.16413918 -1.46424219 -15.83724455
0.00042255 -0.00064304 0.00126481
-0.00825955 0.01314573 0.03823417
14.77748071 -8.23602453 -10.56755601
0.00018339 0.00054107 0.00064378
-0.00004523 0.01196737 0.01118415
16.35633637 -6.06583348 -8.97543040
-0.00064779 -0.00068428 0.00060317
-0.01565650 -0.02526354 -0.01414081
6.93727311 -6.05749326 8.41189959
0.00060598 0.00056927 -0.00061369
-0.01721441 0.01646057 0.00608608
9.60358666 -6.56142893 7.76334287
0.00018846 0.00035285 0.00019668
0.03118538 0.00838908 -0.02445140
-21.74511758 1.99537912 21.09290705
0.00049147 -0.00002508 -0.00088182
0.01622855 0.00592412 0.00386247
-22.40014912 1.49121284 23.81521152
0.00015988 0.00036263 -0.00033031
0.00199095 -0.00892104 0.00845666
26.74822391 -2.96818689 -6.69509431
0.00023292 -0.00002900 -0.00009660
0.00458725 0.00345704 0.00318549
25.27507999 -1.47128206 -8.80882148
0.00005611 0.00035878 -0.00057456
0.00684867 -0.00902954 0.00637295
9.91380676 -15.64971576 -7.80258044
0.00069039 -0.00065154 -0.00033905
-0.00627890 -0.01529138 0.00664866
9.39332759 -12.92258959 -6.89509031
0.00023869 0.00044857 -0.00050668
-0.00352120 -0.00095833 -0.00800226
-5.97846421 -11.37367795 18.20504821
0.00034011 0.00025509 0.00000117
0.01863802 0.02506104 0.02597126
-6.93952407 -11.36957217 15.49262358
0.00051281 0.00047999 0.00016036
-0.00051712 0.00212679 0.00208022
8.33009852 1.38804119 -29.49170509
0.00031300 -0.00052158 -0.00044091
0.02169806 -0.01990080 0.00245532
6.00062266 2.80510884 -30.02200066
-0.00021118 -0.00131695 -0.00049225
0.02064681 0.01059696 0.00627653
12.78051489 15.00026128 14.50070536
-0.00014803 -0.00076399 -0.00045393
-0.02097690 0.01843889 0.01733871
11.21915774 15.96531046 17.12432071
0.00008402 0.00029835 -0.00088039
0.00896420 0.00769468 0.02553753
29.31042306 4.93337729 -4.60021437
0.00018481 0.00018648 -0.00059968
-0.00749660 0.00019784 -0.00577314
26.94572253 6.74673475 -3.81813555
0.00022961 0.00081233 0.00036876
0.02043677 -0.00994719 -0.00125196
-9.94852491 4.91505816 6.56300375
-0.00002043 0.00019630 -0.00022361
-0.00020496 0.01026048 0.00235639
-8.78355853 13.35388683 2.59503030
-0.00012287 0.00005430 0.00000658
-0.00449750 -0.00397475 0.00513732
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09419284
0.29957125
399.16367041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4018382265 (a.u.)
total exchange computation time: 2.7266800404 s
-154.3628066569
-931.39333446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4009804917 (a.u.)
total exchange computation time: 2.7286880016 s
-154.3704564775
Anderson extrapolation: theta=1.4122742802 (1.4122742802)
-931.39358516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3996114697 (a.u.)
total exchange computation time: 2.7278728485 s
-154.3823403442
Anderson extrapolation: theta=0.0776241978 (0.0776241978)
-931.39375281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3993879688 (a.u.)
total exchange computation time: 2.7284390926 s
-154.3840940302
Anderson extrapolation: theta=2.4549520679 (2.0000000000)
-931.39376439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3989124823 (a.u.)
total exchange computation time: 2.7274250984 s
-154.3877014262
Anderson extrapolation: theta=0.4869825206 (0.4869825206)
-931.39378035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3986951984 (a.u.)
total exchange computation time: 2.7325329781 s
-154.3892280821
Anderson extrapolation: theta=0.8286499037 (0.8286499037)
-931.39378538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3985551677 (a.u.)
total exchange computation time: 2.7277791500 s
-154.3900834556
Anderson extrapolation: theta=0.6131883224 (0.6131883224)
-931.39378844
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3985123087 (a.u.)
total exchange computation time: 2.7264459133 s
-154.3902055052
Anderson extrapolation: theta=0.6243165495 (0.6243165495)
-931.39378979
-117.231680 68.270670 97.261319
558.913529 1031.463053 -410.030531
441.681849 1099.733724 -312.769213
1225.692334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3985195583 (a.u.)
total exchange computation time: 2.7266650200 s
679.31480798
-1084.60381248
89.84808916
-388.60756344
-174.94679208
78.80563581
551.60419304
0.00000000
-931.39379041
4.06618046 -31.23810567 -2.21601237
0.00001737 -0.00046727 0.00003775
0.00210668 0.00372779 -0.00245618
-11.49598519 -1.54819597 -9.30702394
-0.00014588 0.00020731 -0.00012755
-0.00201509 -0.00660243 0.00969577
-37.52353244 2.41784173 0.22079172
-0.00000297 -0.00004691 0.00005412
0.00484026 -0.03664498 0.03173545
-11.71267642 -4.20338549 3.97055866
-0.00003201 -0.00008931 0.00015500
-0.04555003 0.01617072 0.01960635
4.11610737 -4.02146734 8.97548813
-0.00020762 -0.00005185 -0.00037166
-0.00716525 -0.04092505 0.00622853
-32.49213712 -0.32215871 -0.15482820
-0.00064944 0.00016600 0.00049270
-0.01292684 -0.01278333 0.00712705
14.35163973 12.48486788 -13.60320994
-0.00024381 -0.00011651 0.00034168
-0.06217560 0.01604188 -0.04633799
-7.73674319 6.06654213 2.66495597
-0.00005869 0.00006791 0.00013142
-0.00873257 0.03425245 0.03418302
7.37012908 12.31316862 -6.02984247
-0.00034733 -0.00032892 -0.00029407
-0.00604935 -0.01336047 0.00894760
8.81898028 9.93710539 -19.04526658
-0.00001928 0.00003590 -0.00017963
-0.01505181 -0.00141906 0.02411245
23.16327265 17.33451031 -2.27863802
-0.00002629 0.00001988 -0.00022783
0.02804018 -0.01753572 -0.01323890
2.10696280 16.81104524 -19.63410150
-0.00005130 0.00002931 0.00003259
-0.02250529 0.02889902 -0.02219826
13.97743317 -0.98652305 -5.76998437
-0.00002005 0.00025779 -0.00016195
0.02104168 -0.00814631 -0.02471835
-16.05202006 -1.36300696 3.24854382
-0.00007896 -0.00009599 -0.00006613
0.00897912 -0.00716672 -0.00544932
-16.27501686 -2.15363702 18.82075194
0.00050253 -0.00032773 -0.00004516
-0.02500399 0.01697487 -0.00426253
0.49371382 2.10310358 -4.77087421
0.00010458 0.00007579 0.00026064
-0.03610638 -0.01702239 -0.00303272
22.76264741 -7.10775260 -8.81509581
0.00000493 0.00006570 0.00003428
-0.04415221 0.02324075 0.00163978
-0.76921967 -6.31703307 7.28947155
-0.00000658 -0.00006419 0.00010149
0.01205116 -0.01034752 -0.01441079
-1.75498647 -1.36730763 -19.33659956
-0.00006395 -0.00004396 -0.00001556
0.03402080 -0.02243332 0.00600309
3.18343686 1.73989244 -9.29266628
-0.00009156 -0.00022416 0.00001941
-0.01479912 -0.00146628 0.02737935
-3.73107883 17.72239648 12.31621435
0.00043589 -0.00013633 0.00000454
0.00956849 -0.00734387 -0.00704798
-3.80201172 5.07787950 -11.13928463
-0.00005724 0.00015857 -0.00021711
-0.07339661 -0.01168023 -0.03853219
-7.91616079 2.76743484 -8.90966210
0.00004636 -0.00016604 0.00012397
0.02789927 0.03347832 -0.03434513
2.43730310 27.48938890 8.79844647
0.00012545 0.00010270 0.00034320
-0.02635844 0.00756732 0.03356752
9.56529610 -6.23164780 -1.77980642
-0.00031343 -0.00001218 0.00008480
0.00457844 -0.02910171 0.01018739
-8.70491808 0.79895200 6.07133819
0.00001650 -0.00016951 0.00030279
0.02186851 -0.01081892 0.01251120
20.43763278 10.85719530 8.76569740
0.00019358 0.00009995 -0.00014668
-0.00421370 0.03572372 -0.01296371
-2.02404733 -2.17632873 -27.51384755
0.00033869 -0.00016864 -0.00032129
-0.02062215 0.02179947 -0.01641271
-14.26205807 6.14039049 7.92652428
0.00015797 0.00000133 0.00031555
0.00293813 0.00805930 -0.00238423
-9.59418778 7.24513470 -2.23237031
-0.00008855 -0.00009732 0.00044815
0.00135131 0.00908114 -0.00849071
-1.75489253 -15.23321301 23.31453948
0.00005173 0.00045583 -0.00038212
-0.06131878 -0.03749695 -0.00119920
-2.70809274 6.32459986 -6.14030278
0.00005431 -0.00006098 0.00019494
0.00317631 -0.00620217 -0.01664921
-20.25491841 30.47690011 4.16627707
-0.00031897 -0.00072601 0.00004778
-0.02548701 0.00025807 0.01659709
7.71505782 0.37307393 7.60819264
0.00013124 0.00036843 -0.00026205
-0.02374486 0.02310183 -0.03111262
5.74192635 11.43941358 -13.46741141
-0.00002595 -0.00040036 0.00006267
0.04900392 -0.02164694 0.04180121
15.55238311 2.75176717 -1.75949697
0.00009743 0.00006316 0.00018187
0.02183684 0.04906985 0.00128066
-4.44132607 13.20580610 -0.78569940
-0.00012372 -0.00031475 0.00000578
0.00480998 0.00323634 -0.01555383
4.74709145 12.49380548 2.71659306
0.00002759 0.00011427 -0.00048527
-0.00480738 -0.03367907 0.01359846
25.08084542 -11.51442500 -9.92601269
0.00013265 0.00006913 -0.00000468
0.01065485 -0.01657503 0.02618980
16.75347547 -3.59650211 -0.71058827
0.00019743 0.00015939 -0.00010463
-0.00288635 0.03108137 0.00613688
13.26652066 7.95936415 10.20964226
0.00043110 -0.00018265 0.00022072
-0.01131427 -0.02994522 0.01794238
1.66147968 -14.05502543 17.56290498
0.00029510 0.00001421 -0.00011216
-0.00436255 0.00279568 0.00046962
-3.78996541 -0.71913915 -14.18281025
0.00039802 0.00004108 -0.00006785
-0.00105509 0.01467096 -0.04739206
15.01247094 -7.51923038 -8.86150373
-0.00003117 0.00015804 -0.00002273
0.01288848 -0.00977445 -0.00277339
8.37174956 -7.04843179 8.92632926
-0.00007788 -0.00002541 0.00020732
-0.00054791 0.00327765 0.01938514
-21.10285799 2.31704506 22.82018877
0.00004443 0.00009568 0.00024877
-0.01256265 0.00456316 -0.02312539
25.69924106 -3.18451532 -8.17134453
0.00005177 0.00019381 -0.00017508
-0.00485422 0.01238128 -0.00499915
9.89424621 -13.93089856 -8.35668533
0.00004475 0.00014545 -0.00032990
0.00056252 0.00098472 0.00315909
-6.72762996 -12.40897028 16.98528147
0.00002013 0.00009654 -0.00002975
-0.01027778 -0.01318669 -0.02873994
7.75900848 3.06961530 -29.31382145
-0.00050882 -0.00029099 0.00005872
-0.03642188 0.00097178 -0.01495112
11.02454523 15.58128429 15.40672838
0.00023552 0.00038440 0.00016651
-0.00099969 -0.01913716 -0.05234460
28.73347350 6.25707288 -3.45209438
0.00006828 0.00023605 -0.00016015
-0.01108602 0.01188798 0.01293272
5.34671860 -31.76818478 -3.47186101
0.00008337 -0.00085036 0.00003208
-0.00612542 0.00380445 0.00962369
4.75472285 -31.27325918 -0.45968349
0.00066968 -0.00038803 -0.00002111
-0.00799413 -0.00844136 -0.01153853
-12.02675393 -3.26313445 -9.09485681
-0.00019718 0.00069402 -0.00059648
-0.00122998 -0.01837294 0.00670928
-12.37721251 -1.02427574 -10.76283987
0.00044971 0.00097219 -0.00019020
-0.00919197 0.01429400 -0.02217470
-39.00388655 2.08489595 1.26854529
-0.00016949 0.00045595 0.00064740
0.00924734 0.00560985 -0.00992137
-37.90862595 3.75894676 -0.84531670
0.00000449 0.00010841 0.00004017
-0.01139797 0.04045505 -0.03000659
-10.76320528 -5.54624626 3.33492924
-0.00045488 0.00057941 -0.00033216
0.02656851 -0.02911451 -0.01505839
-10.76035230 -2.70029958 3.88731034
0.00027851 -0.00035806 0.00064353
0.01782155 0.01719076 0.00059205
4.37785331 -2.39016413 8.37746347
-0.00070055 -0.00042942 0.00019166
0.00794814 0.03590090 -0.01302017
3.85519281 -3.85376482 10.78488664
-0.00084272 -0.00077706 -0.00077402
0.00577764 -0.00154571 0.00049236
-34.03258489 -1.31774598 -0.00298101
-0.00084276 0.00060358 0.00059782
0.00899787 0.00166535 -0.00670158
-32.98114449 1.15550382 0.79233753
-0.00016676 0.00003841 -0.00114901
0.00172268 0.00574133 -0.00246203
13.66529548 12.81710659 -15.44214992
-0.00084599 0.00048829 0.00017409
0.02319624 -0.00669559 0.04630308
16.09756865 12.49942217 -13.74553119
0.00050190 0.00051057 -0.00118715
0.04689564 -0.00447918 -0.00901590
-8.45657610 7.47940287 1.75097117
0.00041606 0.00091479 0.00026117
0.00128496 0.00045855 0.00015823
-7.36867083 4.97142125 1.34836507
0.00040613 -0.00077579 -0.00035698
0.00862469 -0.03856474 -0.03511613
6.17620602 12.42132641 -7.37913761
0.00063809 0.00017505 -0.00050039
-0.00941774 -0.00206002 -0.00809672
8.75885878 13.39059958 -6.57774808
-0.00021058 -0.00039926 0.00041571
0.01873257 0.01915127 -0.00249509
8.52504107 8.57906074 -20.15667974
0.00042396 -0.00064926 0.00025565
0.00404283 -0.01685794 -0.01803461
10.30818548 10.87812279 -19.46307099
0.00086919 -0.00099076 0.00062773
0.01552357 0.00635005 -0.00774596
24.14357519 15.73956943 -2.78757253
0.00015924 0.00006331 -0.00008676
-0.01446240 0.01559200 0.01009793
24.41641009 18.61392776 -2.73001341
-0.00129454 0.00088448 -0.00092437
0.00117172 -0.00258304 0.00226584
1.74129060 16.98997432 -21.50934475
-0.00083054 0.00041631 -0.00096758
-0.00079044 -0.00578705 0.02246063
3.52334001 15.71648555 -19.55206913
0.00035417 -0.00019319 0.00046187
0.01711815 -0.02123745 0.00683092
12.68789939 -1.46715143 -7.04489569
0.00089292 -0.00111301 -0.00036981
0.00516541 0.00807225 0.01738201
13.38062847 -0.89286968 -4.10132618
-0.00069480 -0.00017870 -0.00024276
-0.02124301 -0.00559470 0.01574513
-17.61358186 -2.00832531 2.67763599
0.00007356 0.00073209 0.00109961
-0.02974898 -0.00619941 -0.00036296
-14.94856606 -2.74582384 2.76771005
-0.00065636 -0.00020723 -0.00046305
0.01233230 0.00140427 0.01267782
-16.70957490 -0.72087252 19.90258822
0.00046948 -0.00021318 -0.00122915
0.00986661 0.00063738 -0.00527330
-15.16124902 -3.15878772 19.78733320
0.00026742 0.00043308 -0.00015332
0.01674769 -0.01534202 0.00989000
-0.49217368 0.45527352 -4.91499134
0.00032010 0.00033369 -0.00022494
0.01664589 0.00716709 -0.00109468
-1.02904513 3.16439218 -4.97757974
-0.00067527 -0.00015729 -0.00024007
0.01629514 0.01059054 -0.00207727
23.41644166 -8.72425139 -9.17909497
0.00067670 0.00004876 -0.00031110
0.02636044 -0.02201541 -0.00504183
23.94878936 -5.77947192 -8.43285965
0.00003779 0.00010217 0.00067654
0.01225291 -0.00050205 0.00074429
0.05314764 -6.30345360 5.62175281
-0.00090286 -0.00007816 -0.00069089
-0.01306006 0.00322351 0.00140076
0.76420277 -6.42769278 8.27233272
0.00031901 -0.00020108 -0.00022149
0.00047821 0.00937896 0.01206501
-0.36489304 -2.65849805 -19.54590960
0.00095420 0.00037668 -0.00026392
-0.02151570 0.02364177 0.01154061
-3.00543354 -2.02483086 -20.45650578
-0.00066676 -0.00013958 0.00011156
-0.01796962 -0.00561508 -0.01476654
2.79292735 3.09506911 -10.48076431
0.00057524 0.00017509 0.00109313
-0.00419694 -0.00459092 -0.00162059
1.97978377 1.77214870 -7.78205436
-0.00054431 -0.00095098 0.00020422
0.01538763 0.01555802 -0.02168079
-2.14924531 16.66425136 12.28284989
-0.00089182 0.00033620 0.00002647
-0.01171233 0.00837460 0.00697829
-3.73065511 18.50145845 13.96101353
0.00004682 -0.00019577 0.00049307
0.01384544 0.01174176 0.00564798
-5.54715404 6.01025645 -11.08421104
-0.00032439 -0.00021700 0.00021283
0.04484873 -0.00721049 -0.00542246
-4.35716340 3.69237573 -12.39819437
-0.00002589 0.00008011 0.00018390
0.03032912 0.02929616 0.02820203
-7.68387041 1.67104847 -7.49171740
-0.00030991 -0.00128188 -0.00025518
0.00377633 -0.01288163 0.01210447
-6.18779878 3.30950016 -9.53550809
0.00051961 -0.00013537 -0.00013140
-0.03461925 -0.01817171 0.02450912
2.98939033 27.89252982 7.16398009
0.00046645 -0.00087950 -0.00035341
0.00900882 0.00286837 -0.02938225
1.12705808 28.76989847 9.10550951
0.00049329 0.00046624 -0.00009945
0.01030887 -0.01485469 0.00155830
10.61699755 -7.39907202 -0.70875257
-0.00026021 0.00042327 0.00022802
-0.01452918 0.02146910 -0.01275232
8.41955790 -7.38696599 -2.67915476
-0.00016782 -0.00061641 0.00070174
0.00820248 0.01023513 0.00727405
-7.07722488 0.20156451 6.85024544
0.00032192 -0.00049640 0.00026548
-0.00923817 0.00683968 -0.01111316
-9.92594889 0.13736215 7.23732463
-0.00054428 0.00165331 -0.00054768
-0.01020822 -0.00394189 0.00200637
21.37638222 10.79024847 10.31964772
-0.00083801 0.00109721 0.00056536
0.00493216 -0.00221188 0.00469237
20.51569482 12.74420944 8.31255437
-0.00070225 0.00016574 -0.00019619
0.00358794 -0.03341158 0.00254456
-1.05868336 -3.23103526 -26.45103175
-0.00005119 0.00092310 -0.00030559
0.01995145 -0.02957064 0.01570816
-3.56592872 -2.03319567 -26.56940473
0.00019934 0.00016219 0.00101788
-0.01367219 0.00336943 0.00308288
-13.70466081 7.23014729 9.27740539
0.00069096 -0.00044347 0.00050587
0.00621319 -0.00584555 0.01006724
-15.42077664 7.34423976 7.19341172
0.00007557 0.00031791 0.00014831
-0.00210761 -0.00257063 -0.00805768
-11.26262844 7.90414766 -2.47920764
-0.00020578 0.00034083 0.00081195
-0.01429321 -0.00790682 0.00373413
-8.70222447 8.21923122 -3.57491267
-0.00111187 -0.00039447 0.00039242
0.00347960 -0.00710985 0.00817321
-1.08153007 -16.90993771 22.79265415
-0.00023935 -0.00018809 -0.00086925
0.00165650 0.01489784 0.00335789
-3.66709451 -15.69334903 23.63441161
0.00026835 -0.00018214 -0.00033910
0.05955247 0.02047966 -0.00389821
-2.63688160 6.40719862 -7.98873262
-0.00088138 -0.00006079 -0.00021233
0.00649197 -0.00756452 0.00784202
-4.45750351 6.68711044 -5.87587300
-0.00095927 -0.00038173 0.00072815
-0.01124907 0.00634845 0.01157430
-21.62863605 29.70625555 3.05410042
-0.00058717 0.00032705 0.00045683
0.01326444 0.01466341 0.01400330
-21.21473717 30.96977013 5.71577544
-0.00025576 -0.00045131 -0.00103807
0.00930498 -0.00227272 -0.02445926
6.82096805 0.11910942 5.91700549
0.00002362 0.00007923 -0.00000407
0.02202920 -0.01788726 0.02364788
7.29852547 2.17275569 7.69773875
-0.00059976 0.00045375 0.00004298
0.00856200 -0.00243039 0.01750835
7.12054526 12.81140317 -13.30935374
-0.00021521 -0.00005305 0.00150874
-0.01470592 -0.01434405 -0.00891759
4.76489184 11.78676455 -14.84631164
0.00120815 0.00001072 0.00063959
-0.03095476 0.01386938 -0.04570351
14.27915551 3.82245020 -2.53483841
-0.00007417 0.00026405 0.00115581
0.00080923 -0.00007012 0.00038416
14.87226367 1.14250646 -1.76644682
-0.00010911 0.00022740 0.00084841
-0.01570035 -0.03624398 0.00375645
-2.79619028 12.64544282 -0.28534652
-0.00054370 -0.00106094 0.00076801
0.00498869 -0.00233015 0.00219590
-5.53495956 13.01178134 0.66545734
0.00043700 -0.00019580 0.00003344
-0.00545680 -0.00423622 0.00568908
3.27784845 11.28967905 3.01464558
0.00036731 0.00132435 -0.00133026
0.02379962 0.01456687 -0.00517734
6.30824497 11.34458795 3.01772482
-0.00037590 -0.00053972 0.00026849
-0.02004539 0.02459616 -0.00483664
25.27293728 -12.49662422 -8.35255985
-0.00029873 -0.00016041 -0.00023651
-0.00531432 0.00462448 -0.01490138
26.67801056 -11.63151325 -10.99262427
-0.00105237 0.00065914 -0.00032021
-0.02471962 0.00606032 0.00198552
15.26757029 -3.20664989 0.28226110
0.00177026 0.00113333 0.00056856
0.00031493 0.00016201 -0.00523406
16.96425805 -5.37016154 -0.60971834
-0.00014996 0.00071435 -0.00040594
0.00519660 -0.02795084 -0.00189425
12.11236188 7.83106532 11.75259344
-0.00022711 0.00028708 -0.00084094
0.02098389 0.01590633 -0.02694216
13.41890600 9.70592572 9.65693341
-0.00029894 -0.00027596 -0.00028487
0.00046318 0.00268659 0.00325148
-0.10241116 -14.64216384 17.42109216
-0.00041534 0.00026703 0.00039013
0.00823666 -0.00204897 -0.00558690
1.48883342 -12.55045029 18.56008355
0.00006784 -0.00096196 0.00026773
0.00725134 0.00674910 0.00443843
-4.00590192 -2.00977418 -12.96636950
0.00003959 0.00037841 0.00096691
0.00342749 -0.02211332 0.01509434
-3.15805407 -1.47348495 -15.81710077
0.00039243 -0.00059275 0.00141031
-0.00648456 0.01147069 0.03298840
14.78023022 -8.22754172 -10.55755660
0.00018221 0.00058428 0.00067750
-0.00053380 0.00918122 0.00532005
16.34613974 -6.07687177 -8.96681618
-0.00070781 -0.00078220 0.00054532
-0.01372140 -0.02267269 -0.01417580
6.94583524 -6.04844987 8.40288075
0.00053498 0.00063504 -0.00058764
-0.01753705 0.01573526 0.00666262
9.60736921 -6.55587913 7.76554375
0.00031235 0.00038406 0.00010168
0.02945788 0.00688730 -0.02204779
-21.73724826 1.99518449 21.07979816
0.00056108 0.00000097 -0.00085493
0.01784612 0.00682786 0.00929652
-22.39768989 1.49637887 23.81051600
0.00016231 0.00032270 -0.00029203
-0.00080295 -0.01062247 0.01028310
26.75185828 -2.96851595 -6.69644577
0.00025035 -0.00001456 -0.00008573
0.00394320 0.00361109 0.00213978
25.27613153 -1.46617705 -8.81724462
0.00008554 0.00031869 -0.00054703
0.00755914 -0.01059444 0.00710333
9.92397016 -15.65995749 -7.80746251
0.00066424 -0.00070062 -0.00031477
-0.00651823 -0.00873223 0.00523924
9.39680005 -12.91589034 -6.90293567
0.00022383 0.00044340 -0.00053841
-0.00375344 -0.00157634 -0.00752903
-5.97279148 -11.36908361 18.20586165
0.00041376 0.00035332 0.00010401
0.01741418 0.02302089 0.02436885
-6.93184780 -11.36230712 15.49509266
0.00051049 0.00048780 0.00016845
-0.00061811 0.00169467 0.00187978
8.33545839 1.37960772 -29.49824356
0.00039925 -0.00059341 -0.00042954
0.02052133 -0.01526293 0.00311465
5.99808768 2.78567938 -30.02919214
-0.00012752 -0.00127229 -0.00046572
0.02030490 0.01126351 0.00671044
12.77765162 14.98936641 14.49442767
-0.00023458 -0.00068608 -0.00038036
-0.02138784 0.01970164 0.01867790
11.22069278 15.97002147 17.11189734
0.00012333 0.00033360 -0.00075744
0.01027513 0.00956067 0.03465177
29.31296551 4.93618049 -4.60938642
0.00015167 0.00019062 -0.00062043
-0.00872571 0.00183326 -0.00438775
26.94979291 6.75861483 -3.81264256
0.00031164 0.00077102 0.00036229
0.01972000 -0.01027208 -0.00191198
-9.94883186 4.91803015 6.55965596
-0.00002048 0.00019993 -0.00022278
-0.00008792 0.01006245 0.00227102
-8.78540942 13.35469443 2.59513795
-0.00012391 0.00005337 0.00000778
-0.00444052 -0.00401761 0.00519520
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09479917
0.29899123
398.39083039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4026430389 (a.u.)
total exchange computation time: 2.7275490761 s
-154.3764629571
-931.39419415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4019985674 (a.u.)
total exchange computation time: 2.7271111012 s
-154.3828197676
Anderson extrapolation: theta=1.3592288289 (1.3592288289)
-931.39443064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4010999535 (a.u.)
total exchange computation time: 2.7290139198 s
-154.3918196439
Anderson extrapolation: theta=0.0582883059 (0.0582883059)
-931.39457417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4010338211 (a.u.)
total exchange computation time: 2.7273788452 s
-154.3926636245
Anderson extrapolation: theta=2.1842420086 (2.0000000000)
-931.39458052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4009127710 (a.u.)
total exchange computation time: 2.7294600010 s
-154.3943390842
Anderson extrapolation: theta=0.3491835574 (0.3491835574)
-931.39458785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4008920181 (a.u.)
total exchange computation time: 2.7280180454 s
-154.3947827274
Anderson extrapolation: theta=1.2985241822 (1.2985241822)
-931.39458945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4008944427 (a.u.)
total exchange computation time: 2.7286729813 s
-154.3950992651
Anderson extrapolation: theta=0.4126321470 (0.4126321470)
-931.39459055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4009209257 (a.u.)
total exchange computation time: 2.7274160385 s
-154.3949916505
Anderson extrapolation: theta=0.8775893077 (0.8775893077)
-931.39459078
-117.290492 68.293411 97.236670
558.922683 1031.472109 -410.019823
441.632191 1099.765520 -312.783152
1225.706528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4009600178 (a.u.)
total exchange computation time: 2.7273530960 s
679.35196625
-1084.67894938
89.84251682
-388.55694166
-174.95222279
78.84405952
551.60419304
0.00000000
-931.39459079
4.06644908 -31.24510037 -2.21545553
0.00001884 -0.00046548 0.00003657
0.00362604 0.00325395 -0.00214619
-11.49818122 -1.54511183 -9.30889985
-0.00014664 0.00020490 -0.00012270
-0.00094243 -0.00273806 0.00918161
-37.52355826 2.41699666 0.22172586
-0.00000111 -0.00006536 0.00007042
0.00239330 -0.03507495 0.03168556
-11.71333221 -4.20466279 3.97295927
-0.00005593 -0.00008024 0.00016550
-0.04749152 0.01909149 0.02121391
4.11296544 -4.02240289 8.96993730
-0.00021135 -0.00007417 -0.00036867
-0.00732869 -0.04588340 0.00536868
-32.50192860 -0.31971800 -0.14741018
-0.00065538 0.00015777 0.00049521
-0.01017365 -0.01921773 0.00263083
14.34774282 12.48318217 -13.59826349
-0.00027340 -0.00010805 0.00031734
-0.05290881 0.01682515 -0.04830730
-7.73765723 6.06769294 2.66705912
-0.00006287 0.00008439 0.00014683
-0.00753404 0.02981539 0.02573101
7.36489578 12.30818327 -6.03421903
-0.00034973 -0.00033580 -0.00028885
-0.00327586 -0.01340746 0.01135218
8.81863305 9.93763844 -19.04786797
-0.00002707 0.00003481 -0.00016766
-0.01526248 -0.00284015 0.02241408
23.16298649 17.33474087 -2.28210660
-0.00001212 0.00001084 -0.00023440
0.02706977 -0.01761375 -0.01228063
2.10610651 16.81159633 -19.63369821
-0.00006246 0.00004369 0.00002014
-0.02091663 0.02704608 -0.02621686
13.97721362 -0.98268769 -5.77250896
-0.00000918 0.00025360 -0.00017407
0.02121128 -0.00811965 -0.02241638
-16.05316975 -1.36447441 3.24753078
-0.00007297 -0.00009887 -0.00006830
0.01427864 -0.00406152 -0.00298459
-16.26757530 -2.15848748 18.82005812
0.00048910 -0.00031905 -0.00004880
-0.02724983 0.01679257 -0.00989794
0.49514332 2.10417470 -4.76697636
0.00008544 0.00006777 0.00025896
-0.03835717 -0.01416587 -0.00349357
22.76255101 -7.10667749 -8.81457526
-0.00001701 0.00007700 0.00003506
-0.04116827 0.02070535 0.00138052
-0.76927186 -6.31803584 7.29093838
-0.00000021 -0.00006949 0.00009374
0.01271832 -0.01027777 -0.01573047
-1.75581454 -1.36805352 -19.33680974
-0.00004663 -0.00005595 -0.00001299
0.03335411 -0.02418635 0.00396728
3.18200645 1.73652436 -9.29226950
-0.00009926 -0.00022573 0.00003447
-0.01515217 -0.00463025 0.03116579
-3.72450352 17.72032315 12.31625522
0.00043910 -0.00013856 0.00000168
0.00290554 -0.00132451 -0.00406834
-3.80315349 5.08021307 -11.14268985
-0.00009486 0.00015276 -0.00023650
-0.07289760 -0.01094635 -0.03687050
-7.91535784 2.76507332 -8.90793506
0.00006125 -0.00014905 0.00010662
0.03001670 0.03261867 -0.03310556
2.43908311 27.49095866 8.80372401
0.00011259 0.00010671 0.00035915
-0.02364313 0.00800983 0.02842703
9.56061232 -6.23194269 -1.77849506
-0.00031118 -0.00002700 0.00008995
0.00417531 -0.02853064 0.00980470
-8.70458630 0.79636761 6.07592826
0.00002924 -0.00017445 0.00030807
0.02770432 -0.00840009 0.00802863
20.44052020 10.85883228 8.76344720
0.00019135 0.00011830 -0.00015317
-0.00444510 0.03566210 -0.01229070
-2.01904655 -2.17877427 -27.51873024
0.00032560 -0.00015630 -0.00032967
-0.03028868 0.02621114 -0.01615929
-14.25967722 6.14044160 7.93124834
0.00015917 0.00000580 0.00031408
0.00175278 0.00932188 -0.00335043
-9.59551089 7.24370998 -2.22568084
-0.00008877 -0.00009279 0.00044418
-0.00220131 0.00850853 -0.00695611
-1.75435318 -15.22652014 23.30880304
0.00002055 0.00043562 -0.00038310
-0.05990827 -0.04110847 -0.00262786
-2.70726589 6.32366127 -6.13744297
0.00005387 -0.00006379 0.00018617
-0.00486695 -0.00474467 -0.01742632
-20.25980128 30.46601095 4.16705784
-0.00033117 -0.00072594 0.00005552
-0.02194464 0.00002674 0.01348880
7.71693478 0.37868942 7.60414186
0.00011903 0.00038072 -0.00027772
-0.02370846 0.02469271 -0.02980055
5.74172610 11.43332476 -13.46631005
0.00000092 -0.00041180 0.00008643
0.05549596 -0.02285607 0.05058539
15.55392876 2.75290379 -1.75676398
0.00010888 0.00008812 0.00018271
0.02270047 0.04800281 0.00200418
-4.44316331 13.20109730 -0.78567274
-0.00012068 -0.00031318 -0.00000235
0.00699057 0.00289556 -0.01606424
4.74748677 12.49538960 2.70936644
0.00002638 0.00009766 -0.00047839
0.00010686 -0.03091497 0.01316638
25.08287631 -11.51345203 -9.92598188
0.00013685 0.00006098 0.00000916
0.00565095 -0.01509324 0.02763819
16.75642575 -3.59399135 -0.71213399
0.00019700 0.00017636 -0.00010233
0.00121492 0.03489400 0.00278416
13.27294353 7.95650883 10.21302230
0.00042553 -0.00019783 0.00022932
-0.01033561 -0.02905628 0.01550969
1.66588930 -14.05480152 17.56122437
0.00029189 0.00001446 -0.00011254
-0.00809282 -0.00180886 -0.00193913
-3.78399918 -0.71846635 -14.18401082
0.00039677 0.00004819 -0.00008989
-0.00380015 0.01297802 -0.03830577
15.01205304 -7.51689753 -8.86185542
-0.00002509 0.00015272 -0.00002278
0.01077613 -0.01091143 0.00258321
8.37057924 -7.04880035 8.92951384
-0.00007755 -0.00002303 0.00021628
0.00182628 0.00599319 0.01546991
-21.10224005 2.31849792 22.82383113
0.00003830 0.00009826 0.00023519
-0.01125773 0.00544701 -0.02969830
25.69999892 -3.18156042 -8.17398997
0.00004938 0.00020038 -0.00017747
-0.00445458 0.01318729 -0.00429426
9.89491969 -13.92871295 -8.36162169
0.00004515 0.00014435 -0.00032806
0.00097500 -0.00527658 0.00402365
-6.72736760 -12.40757307 16.98472436
0.00001530 0.00009054 -0.00004372
-0.00852250 -0.01013688 -0.02559317
7.75123575 3.06525426 -29.31299831
-0.00052688 -0.00029196 0.00005085
-0.03383395 -0.00477445 -0.01565533
11.02807413 15.58697640 15.40902412
0.00023469 0.00037390 0.00013744
-0.00221558 -0.02167858 -0.06070366
28.73445494 6.26065956 -3.45444669
0.00006322 0.00024169 -0.00015366
-0.00858884 0.01002187 0.01227136
5.34778148 -31.78082353 -3.47108494
0.00005644 -0.00083399 0.00007176
-0.00705736 0.00420811 0.00980223
4.76452315 -31.27933827 -0.46035364
0.00063536 -0.00042189 -0.00006982
-0.00880985 -0.00813625 -0.01230631
-12.02974927 -3.25328717 -9.10359842
-0.00020516 0.00061200 -0.00056889
-0.00267823 -0.02177633 0.00679773
-12.37074856 -1.00925481 -10.76637231
0.00041284 0.00102978 -0.00028007
-0.00885594 0.01389454 -0.02182101
-39.00614557 2.09190714 1.27795231
-0.00012778 0.00047938 0.00060357
0.01117305 0.00585867 -0.01153566
-37.90890785 3.76181254 -0.84563362
-0.00004097 0.00027013 -0.00007966
-0.01085404 0.03871125 -0.02864974
-10.76921431 -5.53844730 3.32948542
-0.00034215 0.00045343 -0.00039704
0.02861227 -0.03255182 -0.01669944
-10.75562850 -2.70514364 3.89698144
0.00035106 -0.00028684 0.00064624
0.01768928 0.01766765 0.00073185
4.36758857 -2.39550538 8.37993944
-0.00066700 -0.00027286 0.00013514
0.00847488 0.04073929 -0.01464622
3.84272899 -3.86546803 10.77329145
-0.00081988 -0.00078272 -0.00076674
0.00540543 -0.00122617 0.00306942
-34.04495055 -1.30864131 0.00578094
-0.00080676 0.00060957 0.00057069
0.00862419 0.00127105 -0.00657796
-32.98359312 1.15625586 0.77502688
-0.00016444 0.00007630 -0.00114985
-0.00058479 0.01280695 0.00205373
13.65331640 12.82422570 -15.43811966
-0.00075073 0.00045992 0.00036544
0.02343311 -0.00718788 0.04736215
16.10653415 12.50694351 -13.76361476
0.00067360 0.00049208 -0.00122175
0.03715326 -0.00457553 -0.00791943
-8.45029581 7.49313871 1.75489364
0.00042428 0.00091026 0.00026358
0.00273955 -0.00267533 0.00101996
-7.36231458 4.95860261 1.34193429
0.00043617 -0.00091801 -0.00048473
0.00607996 -0.03105060 -0.02741910
6.18548874 12.42388907 -7.38689156
0.00059408 0.00016678 -0.00053884
-0.01212467 -0.00198824 -0.01072338
8.75627408 13.38519754 -6.57158890
-0.00013364 -0.00032064 0.00040594
0.01893043 0.01933321 -0.00228909
8.53152433 8.56880520 -20.15339760
0.00044114 -0.00071512 0.00018514
0.00436874 -0.01537752 -0.01648048
10.32169903 10.86345600 -19.45389237
0.00093173 -0.00096472 0.00059655
0.01509133 0.00639808 -0.00751976
24.14552065 15.74099686 -2.78856447
0.00010117 0.00012757 -0.00004598
-0.01396660 0.01586533 0.00986211
24.39702785 18.62711582 -2.74380953
-0.00128800 0.00087279 -0.00091488
0.00203150 -0.00314159 0.00238142
1.72880835 16.99604167 -21.52317017
-0.00082958 0.00039060 -0.00086606
0.00125814 -0.00680119 0.02723246
3.52917717 15.71293696 -19.54493181
0.00041635 -0.00027377 0.00048732
0.01331574 -0.01820766 0.00563033
12.70145149 -1.48359923 -7.04991020
0.00091217 -0.00108021 -0.00029991
0.00425765 0.00798190 0.01683689
13.36955548 -0.89572159 -4.10448511
-0.00078025 -0.00020176 -0.00018153
-0.02058568 -0.00569433 0.01422846
-17.61339004 -1.99753389 2.69411898
-0.00005990 0.00070200 0.00109378
-0.03558096 -0.00853051 -0.00249185
-14.95803356 -2.74888931 2.76115286
-0.00060495 -0.00020296 -0.00041193
0.01283094 0.00068585 0.01234476
-16.70223035 -0.72405062 19.88398934
0.00050775 -0.00020422 -0.00124526
0.00886743 0.00374581 -0.00261251
-15.15672447 -3.15276158 19.78533643
0.00034213 0.00036458 -0.00010714
0.01982308 -0.01818914 0.01271781
-0.48686204 0.46049849 -4.91839901
0.00038698 0.00035980 -0.00022904
0.01608871 0.00561187 -0.00090963
-1.03867488 3.16235731 -4.98124450
-0.00060303 -0.00011655 -0.00024762
0.01906981 0.00935521 -0.00161860
23.42739993 -8.72419454 -9.18391599
0.00078165 -0.00003497 -0.00032996
0.02501078 -0.01897248 -0.00419116
23.94973175 -5.77795477 -8.42268869
0.00008535 0.00009818 0.00067858
0.01102624 -0.00145171 0.00025413
0.03920457 -6.30452729 5.61143240
-0.00095645 -0.00006496 -0.00068034
-0.01317413 0.00323840 0.00376212
0.76900254 -6.43042152 8.26938014
0.00031957 -0.00016285 -0.00017464
-0.00020295 0.00933327 0.01086731
-0.35123936 -2.65212337 -19.54951472
0.00086112 0.00047518 -0.00021703
-0.02404576 0.02457567 0.01141251
-3.01598557 -2.02709665 -20.45528487
-0.00073299 -0.00016105 0.00005581
-0.01445273 -0.00489551 -0.01252210
2.80142730 3.09755477 -10.46441700
0.00055578 0.00016213 0.00108113
-0.00532794 -0.00175108 -0.00425217
1.97209070 1.75836078 -7.77965546
-0.00047853 -0.00088618 0.00011293
0.01680910 0.01616238 -0.02300337
-2.16298150 16.66955098 12.28346075
-0.00092639 0.00036232 0.00005418
-0.00520820 0.00441019 0.00658919
-3.72952860 18.49888168 13.96858268
0.00010341 -0.00015136 0.00050967
0.01385944 0.00999584 0.00247717
-5.55064557 6.00678048 -11.08118475
-0.00014138 -0.00024573 0.00019015
0.04473470 -0.00685333 -0.00568102
-4.35662243 3.69447516 -12.39457162
0.00009723 0.00019785 0.00029661
0.02994079 0.02833895 0.02696781
-7.68840327 1.65142560 -7.49517419
-0.00029470 -0.00133049 -0.00021016
0.00366633 -0.01091556 0.00993094
-6.18106544 3.30691273 -9.53672806
0.00037415 -0.00021121 -0.00002927
-0.03658668 -0.01895091 0.02548326
2.99666316 27.87942529 7.15777865
0.00049869 -0.00086988 -0.00046275
0.00677412 0.00183663 -0.02414112
1.13477334 28.77643684 9.10406552
0.00053440 0.00040701 -0.00009344
0.00981483 -0.01413723 0.00138184
10.61264911 -7.39206502 -0.70572309
-0.00031783 0.00050949 0.00017746
-0.01367177 0.02073424 -0.01199669
8.41729190 -7.39589849 -2.66840579
-0.00013504 -0.00057405 0.00073070
0.00784538 0.01050026 0.00690075
-7.07267910 0.19432809 6.85388715
0.00027962 -0.00046772 0.00021990
-0.01147271 0.00719791 -0.01120046
-9.93442589 0.16204100 7.22917093
-0.00059341 0.00163152 -0.00053030
-0.01384179 -0.00672220 0.00649914
21.36396321 10.80663885 10.32827184
-0.00081841 0.00108770 0.00058339
0.00466302 -0.00244402 0.00413644
20.50527098 12.74567166 8.30968949
-0.00068656 0.00002969 -0.00018606
0.00409563 -0.03318673 0.00241664
-1.05883979 -3.21809486 -26.45513420
0.00003820 0.00079391 -0.00023417
0.02380440 -0.03366879 0.01925220
-3.56335752 -2.03065963 -26.55404205
0.00015446 0.00017525 0.00102260
-0.00829725 0.00302628 -0.00077217
-13.69410609 7.22331612 9.28530194
0.00071475 -0.00046723 0.00054568
0.00543648 -0.00578646 0.00942032
-15.41970772 7.34892958 7.19538952
0.00007074 0.00030468 0.00011891
-0.00025641 -0.00390497 -0.00633537
-11.26615315 7.90901778 -2.46691404
-0.00026134 0.00030661 0.00082833
-0.01290174 -0.00884379 0.00428546
-8.71879592 8.21309627 -3.56877597
-0.00109278 -0.00042019 0.00042114
0.00586823 -0.00547861 0.00588757
-1.08506961 -16.91230260 22.77971830
-0.00023332 -0.00012049 -0.00085307
0.00129701 0.01819680 0.00456197
-3.66124445 -15.69545354 23.62920560
0.00050929 -0.00009733 -0.00035459
0.05839113 0.02103667 -0.00368127
-2.64990338 6.40605497 -7.99167729
-0.00085452 -0.00009179 -0.00017576
0.00665860 -0.00760878 0.01005938
-4.47223724 6.68157896 -5.86459609
-0.00098904 -0.00035883 0.00077273
-0.00332248 0.00486501 0.01024671
-21.63703710 29.71161071 3.06138194
-0.00053466 0.00038338 0.00050957
0.01243948 0.01291051 0.01181297
-21.21828840 30.96293080 5.69945495
-0.00022184 -0.00045728 -0.00112708
0.00729653 -0.00064887 -0.01911567
6.82199733 0.11974980 5.91766902
0.00011308 0.00000643 0.00009065
0.02176240 -0.01774942 0.02271911
7.28979147 2.17948745 7.69892004
-0.00056379 0.00044030 0.00011380
0.00904493 -0.00415464 0.01715383
7.11686649 12.81016780 -13.28699588
-0.00027643 -0.00011306 0.00147054
-0.01526012 -0.01502963 -0.00978249
4.78206558 11.78735041 -14.83811835
0.00106986 0.00007249 0.00043528
-0.03674081 0.01636537 -0.05430622
14.27806782 3.82640880 -2.51748954
-0.00007290 0.00026508 0.00115562
-0.00018915 0.00057197 -0.00047425
14.87014598 1.14480690 -1.75360556
-0.00017361 0.00007969 0.00086380
-0.01587316 -0.03606141 0.00377462
-2.80419289 12.62945733 -0.27375902
-0.00052327 -0.00106990 0.00077506
0.00501006 -0.00205802 0.00125177
-5.52857182 13.00871454 0.66613327
0.00041021 -0.00021286 0.00005951
-0.00765302 -0.00411527 0.00707239
3.28408738 11.30999063 2.99453303
0.00045497 0.00137681 -0.00134901
0.01910974 0.01111264 -0.00400255
6.30199225 11.33724581 3.02160402
-0.00045731 -0.00043776 0.00024763
-0.01980828 0.02531597 -0.00537835
25.26829349 -12.49888873 -8.35656410
-0.00031884 -0.00014238 -0.00029614
-0.00453074 0.00420501 -0.01429017
26.66146746 -11.62144043 -10.99736651
-0.00114475 0.00068144 -0.00031556
-0.02049808 0.00485601 0.00028867
15.29413391 -3.18964498 0.29062908
0.00176224 0.00113519 0.00055299
-0.00424496 0.00074964 -0.00238514
16.96216791 -5.36030276 -0.61586552
-0.00012836 0.00059088 -0.00041256
0.00537555 -0.03249029 -0.00134456
12.10959829 7.83585901 11.73915372
-0.00014388 0.00035051 -0.00094566
0.01975376 0.01513891 -0.02431928
13.41443613 9.70186859 9.65275996
-0.00029603 -0.00026518 -0.00027202
0.00095847 0.00259025 0.00304114
-0.10838893 -14.63822120 17.42677289
-0.00037493 0.00025938 0.00036644
0.01154486 -0.00169285 -0.00601129
1.49007319 -12.56467285 18.56423548
0.00009785 -0.00092575 0.00029119
0.00743984 0.01097473 0.00704829
-4.00520309 -2.00477567 -12.95140336
0.00005483 0.00029554 0.00102213
0.00403506 -0.01845021 0.01193936
-3.15236636 -1.48202472 -15.79493526
0.00036994 -0.00055025 0.00153365
-0.00452182 0.00933367 0.02738784
14.78294702 -8.21849622 -10.54723115
0.00017919 0.00061663 0.00068776
-0.00094534 0.00665723 -0.00029638
16.33510217 -6.08929959 -8.95907074
-0.00075871 -0.00086808 0.00048775
-0.01119425 -0.01936363 -0.01400447
6.95332258 -6.03844213 8.39427024
0.00046404 0.00069694 -0.00055892
-0.01718925 0.01456496 0.00739846
9.61295711 -6.54990724 7.76639341
0.00042674 0.00040832 0.00001849
0.02653936 0.00499002 -0.01867501
-21.72828523 1.99540831 21.06725902
0.00063649 0.00003040 -0.00080706
0.01906900 0.00757735 0.01413728
-22.39527987 1.50089389 23.80645068
0.00015361 0.00027606 -0.00024675
-0.00345591 -0.01221107 0.01188252
26.75573431 -2.96862371 -6.69766609
0.00026491 0.00000042 -0.00007939
0.00318494 0.00372362 0.00096329
25.27764634 -1.46172134 -8.82523242
0.00011758 0.00027294 -0.00051683
0.00812137 -0.01180129 0.00768261
9.93373408 -15.67073439 -7.81202349
0.00063710 -0.00072257 -0.00029640
-0.00676900 -0.00201052 0.00375267
9.40004247 -12.90928770 -6.91124247
0.00020795 0.00043592 -0.00056791
-0.00401796 -0.00208527 -0.00691129
-5.96605150 -11.36307842 18.20816856
0.00048094 0.00044126 0.00019803
0.01547257 0.02002740 0.02165577
-6.92420942 -11.35493821 15.49767695
0.00050774 0.00049387 0.00017564
-0.00072753 0.00127782 0.00164194
8.34207593 1.37023884 -29.50459115
0.00047987 -0.00064485 -0.00041533
0.01894508 -0.00991818 0.00383796
5.99679710 2.76694021 -30.03597237
-0.00004624 -0.00122518 -0.00043783
0.01948185 0.01179606 0.00694549
12.77347757 14.97967898 14.48929468
-0.00032251 -0.00060335 -0.00030162
-0.02165612 0.02079514 0.01986437
11.22285753 15.97531841 17.10159764
0.00016759 0.00037589 -0.00059982
0.01139435 0.01114307 0.04250114
29.31497319 4.93909603 -4.61882739
0.00011367 0.00020142 -0.00063550
-0.00987806 0.00345025 -0.00298549
26.95507186 6.76986538 -3.80726675
0.00038957 0.00072885 0.00035299
0.01842613 -0.01037112 -0.00264126
-9.94913929 4.92105615 6.55632036
-0.00002049 0.00020350 -0.00022198
0.00003824 0.00987817 0.00217151
-8.78727577 13.35548803 2.59526368
-0.00012492 0.00005242 0.00000901
-0.00430122 -0.00415993 0.00543549
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09482645
0.29976434
399.42094992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4054936828 (a.u.)
total exchange computation time: 2.6793351173 s
-154.3723377682
-931.39691751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4046704342 (a.u.)
total exchange computation time: 2.6826260090 s
-154.3797188263
Anderson extrapolation: theta=1.3665572515 (1.3665572515)
-931.39715878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4034260283 (a.u.)
total exchange computation time: 2.6790759563 s
-154.3907083912
Anderson extrapolation: theta=0.0591376640 (0.0591376640)
-931.39730686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4032624080 (a.u.)
total exchange computation time: 2.6790781021 s
-154.3920961924
Anderson extrapolation: theta=2.1112226927 (2.0000000000)
-931.39731338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4029160685 (a.u.)
total exchange computation time: 2.6794297695 s
-154.3949998517
Anderson extrapolation: theta=0.2961149687 (0.2961149687)
-931.39732065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4028182026 (a.u.)
total exchange computation time: 2.6793680191 s
-154.3957919666
Anderson extrapolation: theta=1.4808692194 (1.4808692194)
-931.39732216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4027053286 (a.u.)
total exchange computation time: 2.6803479195 s
-154.3966744471
Anderson extrapolation: theta=0.3755258591 (0.3755258591)
-931.39732349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4026958199 (a.u.)
total exchange computation time: 2.6803820133 s
-154.3967171266
Anderson extrapolation: theta=1.0665317300 (1.0665317300)
-931.39732384
-117.345089 68.310297 97.233293
558.937051 1031.481820 -410.007175
441.591962 1099.792117 -312.773882
1225.713532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4027110987 (a.u.)
total exchange computation time: 2.6796939373 s
679.36529337
-1084.71053202
89.84014085
-388.53552597
-174.95398908
78.86029305
551.60419304
0.00000000
-931.39732396
4.06674569 -31.25206997 -2.21491526
0.00002103 -0.00046391 0.00003555
0.00487063 0.00285353 -0.00183069
-11.50038451 -1.54204883 -9.31070492
-0.00014702 0.00020443 -0.00011829
-0.00053037 0.00089831 0.00795123
-37.52356562 2.41588101 0.22290445
-0.00000049 -0.00008254 0.00008630
0.00001318 -0.03174483 0.03004177
-11.71435438 -4.20579281 3.97552354
-0.00008047 -0.00006985 0.00017664
-0.04791155 0.02131581 0.02211780
4.10976697 -4.02369242 8.96442789
-0.00021507 -0.00009857 -0.00036631
-0.00716298 -0.04901345 0.00381330
-32.51179857 -0.31742555 -0.13997187
-0.00065981 0.00014628 0.00049543
-0.00706580 -0.02548275 -0.00179224
14.34343773 12.48162626 -13.59368973
-0.00029782 -0.00009923 0.00029207
-0.04205415 0.01748835 -0.04994691
-7.73862939 6.06907376 2.66936078
-0.00006636 0.00009837 0.00015775
-0.00601075 0.02455442 0.01673682
7.35963721 12.30309448 -6.03850802
-0.00035066 -0.00034259 -0.00028255
-0.00032744 -0.01296281 0.01316871
8.81816808 9.93814957 -19.05029644
-0.00003483 0.00003290 -0.00015674
-0.01491421 -0.00455346 0.02004626
23.16290917 17.33483555 -2.28566991
0.00000143 0.00000191 -0.00024056
0.02561425 -0.01711392 -0.01166975
2.10508885 16.81235607 -19.63349717
-0.00007263 0.00005700 0.00000578
-0.01861196 0.02468379 -0.02965349
13.97715772 -0.97891497 -5.77520648
0.00000172 0.00024946 -0.00018473
0.02118219 -0.00798448 -0.01904263
-16.05420929 -1.36597320 3.24649473
-0.00006453 -0.00010029 -0.00006931
0.01855657 -0.00144182 -0.00094921
-16.26034396 -2.16320838 18.81928794
0.00047470 -0.00031069 -0.00005519
-0.02874397 0.01571085 -0.01495576
0.49627690 2.10513654 -4.76310547
0.00006527 0.00006123 0.00025706
-0.04004865 -0.01122878 -0.00388920
22.76213700 -7.10544263 -8.81404406
-0.00003727 0.00008681 0.00003566
-0.03759458 0.01743151 0.00094974
-0.76922593 -6.31911789 7.29228385
0.00000649 -0.00007476 0.00008539
0.01334046 -0.01018143 -0.01676475
-1.75638530 -1.36898601 -19.33698931
-0.00002991 -0.00006871 -0.00001157
0.03163885 -0.02545501 0.00157403
3.18045914 1.73312055 -9.29163229
-0.00010707 -0.00022890 0.00005130
-0.01523453 -0.00768792 0.03429131
-3.71790579 17.71823961 12.31626471
0.00043871 -0.00013755 0.00000038
-0.00444438 0.00525562 -0.00097371
-3.80485765 5.08246218 -11.14637951
-0.00013195 0.00014743 -0.00025488
-0.07131872 -0.00977823 -0.03460532
-7.91432332 2.76296344 -8.90646342
0.00007701 -0.00013270 0.00009014
0.03126021 0.03095050 -0.03097429
2.44068073 27.49259022 8.80922085
0.00010131 0.00011086 0.00037220
-0.02020589 0.00813975 0.02235232
9.55596075 -6.23245767 -1.77710806
-0.00030917 -0.00004134 0.00009481
0.00361880 -0.02726068 0.00912435
-8.70404079 0.79371842 6.08058027
0.00004481 -0.00017821 0.00031109
0.03281582 -0.00621289 0.00373330
20.44337334 10.86074438 8.76110218
0.00018906 0.00013646 -0.00015919
-0.00445650 0.03493740 -0.01109866
-2.01427943 -2.18101761 -27.52373759
0.00030781 -0.00014194 -0.00033770
-0.03889357 0.02962870 -0.01507120
-14.25728285 6.14056463 7.93594656
0.00015980 0.00001092 0.00031215
0.00069060 0.01056535 -0.00413420
-9.59685098 7.24235090 -2.21904503
-0.00009089 -0.00008859 0.00044105
-0.00603169 0.00785558 -0.00519176
-1.75427599 -15.22014441 23.30304634
-0.00000966 0.00041377 -0.00038486
-0.05757956 -0.04387276 -0.00419571
-2.70647658 6.32268607 -6.13471760
0.00004937 -0.00006590 0.00017710
-0.01263333 -0.00344364 -0.01784854
-20.26485344 30.45512200 4.16794267
-0.00034139 -0.00072604 0.00006155
-0.01779219 -0.00041524 0.00994493
7.71862884 0.38449540 7.59986118
0.00010695 0.00039378 -0.00029254
-0.02327035 0.02609355 -0.02782907
5.74195399 11.42705961 -13.46481844
0.00003053 -0.00042380 0.00011401
0.05965647 -0.02381153 0.05667502
15.55564954 2.75441074 -1.75401553
0.00012059 0.00011208 0.00018393
0.02284122 0.04518102 0.00273920
-4.44494662 13.19641084 -0.78577000
-0.00011653 -0.00031181 -0.00001067
0.00916710 0.00241479 -0.01629452
4.74788292 12.49673522 2.70224139
0.00002780 0.00008271 -0.00047176
0.00541299 -0.02722753 0.01259192
25.08495080 -11.51259550 -9.92573784
0.00013833 0.00005368 0.00002373
0.00013087 -0.01329143 0.02902457
16.75938541 -3.59121138 -0.71365823
0.00019869 0.00019496 -0.00010177
0.00536799 0.03743690 -0.00060347
13.27928666 7.95342935 10.21652198
0.00042059 -0.00021246 0.00023653
-0.00890515 -0.02784961 0.01251654
1.67023649 -14.05459157 17.55952879
0.00028687 0.00001246 -0.00011411
-0.01143121 -0.00595818 -0.00417052
-3.77806226 -0.71769344 -14.18550692
0.00039399 0.00005444 -0.00010689
-0.00702729 0.01130771 -0.02781566
15.01171827 -7.51464886 -8.86218718
-0.00002019 0.00014671 -0.00002005
0.00827133 -0.01245796 0.00804208
8.36942301 -7.04912267 8.93281777
-0.00007592 -0.00001909 0.00022303
0.00452326 0.00934350 0.01076598
-21.10170895 2.31999280 22.82724438
0.00003287 0.00010129 0.00021848
-0.00986221 0.00634211 -0.03528821
25.70072241 -3.17850378 -8.17666853
0.00004724 0.00020729 -0.00017943
-0.00384738 0.01366301 -0.00335161
9.89560069 -13.92656806 -8.36652701
0.00004577 0.00014006 -0.00032581
0.00143857 -0.01138647 0.00471934
-6.72717100 -12.40625407 16.98396981
0.00001151 0.00008628 -0.00005586
-0.00621172 -0.00643518 -0.02159809
7.74320200 3.06085639 -29.31229594
-0.00054345 -0.00029594 0.00004266
-0.03057798 -0.01066940 -0.01621046
11.03158594 15.59250128 15.41085154
0.00023326 0.00036222 0.00010457
-0.00334905 -0.02372142 -0.06711192
28.73537012 6.26432355 -3.45670433
0.00005955 0.00024633 -0.00014750
-0.00568927 0.00801018 0.01171801
5.34841185 -31.79320438 -3.46970812
0.00002616 -0.00081616 0.00011170
-0.00776370 0.00451832 0.00974591
4.77378352 -31.28591600 -0.46177801
0.00059791 -0.00045444 -0.00012123
-0.00951760 -0.00779576 -0.01286022
-12.03290875 -3.24477448 -9.11192342
-0.00021874 0.00051741 -0.00054128
-0.00397000 -0.02452344 0.00671727
-12.36482737 -0.99338234 -10.77124208
0.00037831 0.00108485 -0.00036670
-0.00804439 0.01306400 -0.02058217
-39.00771983 2.09927738 1.28665235
-0.00007917 0.00050354 0.00055383
0.01261945 0.00596874 -0.01280940
-37.90985495 3.76705077 -0.84770637
-0.00008326 0.00042154 -0.00019144
-0.00984715 0.03540413 -0.02607115
-10.77346981 -5.53264333 3.32301816
-0.00022321 0.00031648 -0.00046721
0.02961142 -0.03448862 -0.01765175
-10.74982058 -2.70890493 3.90669740
0.00042206 -0.00021531 0.00064959
0.01706541 0.01735040 0.00091102
4.35784323 -2.39834988 8.38151779
-0.00063192 -0.00010024 0.00007348
0.00869624 0.04375701 -0.01553986
3.83059645 -3.87724638 10.76188438
-0.00079860 -0.00078709 -0.00074900
0.00501026 -0.00091306 0.00561730
-34.05678766 -1.29945874 0.01413975
-0.00077288 0.00061369 0.00054420
0.00795785 0.00074474 -0.00638885
-32.98607758 1.15779279 0.75784210
-0.00017151 0.00014303 -0.00113268
-0.00287798 0.01985914 0.00634957
13.64277344 12.83090429 -15.43118676
-0.00065528 0.00042985 0.00055938
0.02329337 -0.00753401 0.04757444
16.11777663 12.51418443 -13.78218369
0.00080319 0.00047294 -0.00125101
0.02628403 -0.00479278 -0.00640537
-8.44384761 7.50671059 1.75887861
0.00043822 0.00089317 0.00026928
0.00408457 -0.00568721 0.00176734
-7.35558571 4.94388100 1.33382310
0.00045539 -0.00102816 -0.00057962
0.00332931 -0.02287052 -0.01903026
6.19402838 12.42632989 -7.39530270
0.00053994 0.00015885 -0.00058720
-0.01437631 -0.00189649 -0.01295327
8.75484956 13.38098035 -6.56557000
-0.00005715 -0.00024224 0.00039738
0.01851445 0.01904684 -0.00189724
8.53827534 8.55760722 -20.15112548
0.00045982 -0.00077358 0.00012201
0.00477235 -0.01324243 -0.01442331
10.33613747 10.84918132 -19.44517461
0.00099118 -0.00093924 0.00056667
0.01400676 0.00607040 -0.00710342
24.14661015 15.74339662 -2.78895199
0.00004552 0.00019222 -0.00000652
-0.01327019 0.01577852 0.00945379
24.37777012 18.64011135 -2.75745970
-0.00127804 0.00085873 -0.00090490
0.00284390 -0.00374092 0.00250006
1.71640321 17.00169219 -21.53532662
-0.00082048 0.00036090 -0.00074971
0.00319823 -0.00773384 0.02972262
3.53583040 15.70827249 -19.53744943
0.00046198 -0.00034125 0.00050764
0.00902157 -0.01482364 0.00431556
12.71526452 -1.49955785 -7.05389284
0.00092737 -0.00104806 -0.00023279
0.00318365 0.00775772 0.01601591
13.35722088 -0.89892249 -4.10677204
-0.00086225 -0.00022522 -0.00012816
-0.01955317 -0.00578747 0.01189628
-17.61537883 -1.98726527 2.71044925
-0.00021475 0.00066326 0.00108017
-0.04021809 -0.01043142 -0.00416839
-14.96671471 -2.75191275 2.75535223
-0.00055185 -0.00020161 -0.00036224
0.01316239 -0.00002310 0.01197623
-16.69434236 -0.72699915 19.86523036
0.00054184 -0.00018223 -0.00125035
0.00781901 0.00701723 0.00012371
-15.15098504 -3.14785018 19.78411909
0.00042795 0.00028585 -0.00005059
0.02218728 -0.02035175 0.01496433
-0.48056439 0.46606738 -4.92186242
0.00045108 0.00037906 -0.00023244
0.01529064 0.00381776 -0.00075766
-1.04713591 3.16089578 -4.98500845
-0.00052015 -0.00008054 -0.00025330
0.02150078 0.00827235 -0.00116057
23.43989102 -8.72530043 -9.18899388
0.00088013 -0.00010452 -0.00034492
0.02320060 -0.01507344 -0.00312845
23.95134990 -5.77652659 -8.41250215
0.00012749 0.00009007 0.00067851
0.00960202 -0.00251954 -0.00028930
0.02445410 -6.30540252 5.60134257
-0.00101021 -0.00005173 -0.00066039
-0.01314154 0.00324145 0.00600545
0.77378987 -6.43257827 8.26709357
0.00031708 -0.00012478 -0.00013292
-0.00101549 0.00930307 0.00955192
-0.33905936 -2.64424254 -19.55242041
0.00075898 0.00057623 -0.00017093
-0.02595174 0.02488711 0.01115142
-3.02742335 -2.02966246 -20.45483140
-0.00078397 -0.00017916 0.00000991
-0.01050101 -0.00396626 -0.00994962
2.80960073 3.09993311 -10.44833028
0.00053190 0.00016065 0.00105864
-0.00635995 0.00102701 -0.00675817
1.96542779 1.74556340 -7.77866634
-0.00040770 -0.00081904 0.00001720
0.01786265 0.01670352 -0.02385871
-2.17703687 16.67512088 12.28447544
-0.00093296 0.00037116 0.00008022
0.00199221 -0.00008395 0.00615569
-3.72755271 18.49691751 13.97630366
0.00016002 -0.00011418 0.00051308
0.01384785 0.00820506 -0.00080626
-5.55139549 6.00288450 -11.07850664
0.00003972 -0.00027242 0.00016651
0.04391810 -0.00621223 -0.00588749
-4.35424651 3.69831137 -12.38929610
0.00021805 0.00031013 0.00040293
0.02920106 0.02662118 0.02507480
-7.69271143 1.63113376 -7.49802234
-0.00028021 -0.00137019 -0.00017494
0.00342533 -0.00851891 0.00731414
-6.17657436 3.30316387 -9.53638627
0.00022260 -0.00028949 0.00007592
-0.03759601 -0.01936863 0.02600868
3.00435115 27.86643332 7.15009769
0.00052114 -0.00086465 -0.00054883
0.00421234 0.00072571 -0.01799879
1.14309012 28.78210880 9.10270621
0.00057271 0.00035150 -0.00008804
0.00893693 -0.01303388 0.00126430
10.60746277 -7.38378730 -0.70342884
-0.00037110 0.00059181 0.00013085
-0.01240524 0.01956024 -0.01082024
8.41550671 -7.40418747 -2.65723391
-0.00010426 -0.00053116 0.00075773
0.00722109 0.01049361 0.00633306
-7.06883643 0.18753280 6.85684243
0.00022894 -0.00043788 0.00017445
-0.01333282 0.00741073 -0.01104802
-9.94375119 0.18630788 7.22141555
-0.00065668 0.00159906 -0.00049537
-0.01713094 -0.00916861 0.01059847
21.35182996 10.82287945 10.33714946
-0.00080032 0.00107724 0.00059844
0.00419171 -0.00267738 0.00323080
20.49509815 12.74510000 8.30697272
-0.00066878 -0.00010410 -0.00017672
0.00460472 -0.03230367 0.00215385
-1.05753734 -3.20721790 -26.45805675
0.00014148 0.00064997 -0.00015007
0.02675189 -0.03678933 0.02191444
-3.56129484 -2.02793813 -26.53872670
0.00013130 0.00018680 0.00101161
-0.00303968 0.00262494 -0.00460657
-13.68321820 7.21613033 9.29377583
0.00073517 -0.00049089 0.00058251
0.00455571 -0.00579584 0.00860681
-15.41865452 7.35338007 7.19697905
0.00007346 0.00028613 0.00009659
0.00158759 -0.00517590 -0.00459284
-11.27046856 7.91334590 -2.45435780
-0.00031068 0.00026844 0.00084690
-0.01125104 -0.00984081 0.00480765
-8.73500772 8.20662556 -3.56227845
-0.00106394 -0.00043894 0.00044007
0.00824585 -0.00369781 0.00337737
-1.08852967 -16.91355228 22.76706205
-0.00022837 -0.00004042 -0.00083227
0.00112438 0.02099362 0.00562002
-3.65181582 -15.69626879 23.62377398
0.00074313 -0.00001088 -0.00036887
0.05607612 0.02127800 -0.00330993
-2.66251708 6.40444500 -7.99400546
-0.00082701 -0.00012292 -0.00013078
0.00680591 -0.00762878 0.01195915
-4.48717460 6.67634565 -5.85269120
-0.00098689 -0.00034172 0.00081173
0.00437291 0.00350982 0.00884603
-21.64467578 29.71775709 3.06938743
-0.00048625 0.00043219 0.00055263
0.01125788 0.01097995 0.00926773
-21.22139245 30.95605170 5.68196294
-0.00019705 -0.00045605 -0.00119275
0.00483811 0.00125049 -0.01302782
6.82436034 0.11930238 5.91972493
0.00020075 -0.00006572 0.00018040
0.02115607 -0.01757088 0.02121578
7.28161180 2.18596459 7.70115261
-0.00052602 0.00042019 0.00018295
0.00944386 -0.00568730 0.01669976
7.11225247 12.80801132 -13.26523754
-0.00033936 -0.00017537 0.00142890
-0.01554835 -0.01546854 -0.01060305
4.79698762 11.78893925 -14.83325327
0.00091204 0.00014328 0.00020123
-0.04051170 0.01828699 -0.06026411
14.27696855 3.83040246 -2.50016974
-0.00007576 0.00026872 0.00115195
-0.00120939 0.00121150 -0.00132348
14.86705549 1.14489728 -1.74053296
-0.00023729 -0.00006363 0.00087925
-0.01530217 -0.03409580 0.00378994
-2.81188844 12.61334571 -0.26209480
-0.00050318 -0.00107758 0.00077806
0.00482687 -0.00169940 0.00021946
-5.52265311 13.00539554 0.66724264
0.00037484 -0.00022933 0.00009069
-0.00966250 -0.00394823 0.00819028
3.29149747 11.33098325 2.97417517
0.00052169 0.00141392 -0.00136284
0.01354981 0.00705570 -0.00276627
6.29452556 11.33145517 3.02515359
-0.00053694 -0.00033355 0.00022474
-0.01917061 0.02569278 -0.00582651
25.26337203 -12.50089553 -8.36144414
-0.00033561 -0.00012662 -0.00035244
-0.00367561 0.00350652 -0.01326554
26.64366812 -11.61107000 -11.00209106
-0.00121896 0.00069878 -0.00031850
-0.01582769 0.00363123 -0.00172678
15.32043736 -3.17259413 0.29885089
0.00173584 0.00113952 0.00054922
-0.00867815 0.00137102 0.00053896
16.96040721 -5.35243519 -0.62209511
-0.00010639 0.00045136 -0.00041706
0.00538205 -0.03580316 -0.00086099
12.10804533 7.84158050 11.72422356
-0.00006668 0.00041049 -0.00103847
0.01803827 0.01422261 -0.02110958
13.41002501 9.69797020 9.64877289
-0.00029106 -0.00025527 -0.00025997
0.00147370 0.00226450 0.00285570
-0.11365917 -14.63438231 17.43208521
-0.00032172 0.00025305 0.00034098
0.01450538 -0.00140563 -0.00645004
1.49176891 -12.57822281 18.56881938
0.00012857 -0.00087299 0.00032500
0.00759999 0.01485137 0.00950162
-4.00425696 -2.00090790 -12.93570549
0.00007280 0.00022865 0.00106331
0.00476040 -0.01429559 0.00821790
-3.14695579 -1.48999246 -15.77109125
0.00035641 -0.00051763 0.00163202
-0.00210355 0.00663646 0.02076313
14.78560588 -8.20904274 -10.53692386
0.00017429 0.00063829 0.00067426
-0.00145067 0.00394179 -0.00630924
16.32337855 -6.10291414 -8.95218358
-0.00079813 -0.00093921 0.00043103
-0.00810327 -0.01545569 -0.01376268
6.95975646 -6.02754176 8.38611316
0.00039568 0.00075335 -0.00052687
-0.01627535 0.01304995 0.00828868
9.62017152 -6.54362953 7.76609854
0.00052745 0.00042435 -0.00004958
0.02275723 0.00285673 -0.01464513
-21.71815353 1.99609652 21.05558630
0.00071615 0.00006257 -0.00074077
0.01992507 0.00817111 0.01831296
-22.39308164 1.50466054 23.80311360
0.00013464 0.00022330 -0.00019556
-0.00582979 -0.01361343 0.01317348
26.75980554 -2.96850325 -6.69882737
0.00027625 0.00001580 -0.00007797
0.00236838 0.00380377 -0.00027120
25.27965887 -1.45798888 -8.83274938
0.00015164 0.00022299 -0.00048454
0.00855201 -0.01265111 0.00812064
9.94308316 -15.68163450 -7.81635449
0.00060889 -0.00071744 -0.00028400
-0.00703846 0.00452061 0.00231458
9.40303864 -12.90281285 -6.91997283
0.00019090 0.00042657 -0.00059462
-0.00432760 -0.00248795 -0.00616601
-5.95836326 -11.35584581 18.21180267
0.00053913 0.00051559 0.00027932
0.01300946 0.01635768 0.01813384
-6.91661563 -11.34749099 15.50036187
0.00050454 0.00049835 0.00018175
-0.00084029 0.00091664 0.00134689
8.34985455 1.36026211 -29.51070353
0.00055354 -0.00067385 -0.00039809
0.01711798 -0.00427725 0.00460356
5.99670050 2.74892398 -30.04232693
0.00003086 -0.00117621 -0.00040934
0.01825889 0.01217384 0.00699681
12.76797630 14.97126601 14.48537910
-0.00041121 -0.00051645 -0.00021832
-0.02176303 0.02174031 0.02090935
11.22572061 15.98129826 17.09390268
0.00021597 0.00042383 -0.00041386
0.01228386 0.01232456 0.04852939
29.31637549 4.94222303 -4.62845133
0.00007116 0.00021867 -0.00064489
-0.01092950 0.00499246 -0.00161107
26.96148008 6.78048032 -3.80205281
0.00046121 0.00068669 0.00034063
0.01664212 -0.01026846 -0.00341230
-9.94944651 4.92413519 6.55299642
-0.00002045 0.00020701 -0.00022123
0.00017593 0.00970319 0.00206559
-8.78915709 13.35626715 2.59540833
-0.00012591 0.00005145 0.00001027
-0.00418267 -0.00422376 0.00543098
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09553050
0.30179346
402.12465018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4052446160 (a.u.)
total exchange computation time: 2.6832938194 s
-154.3703057817
-931.40001810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4045368874 (a.u.)
total exchange computation time: 2.6794500351 s
-154.3771263524
Anderson extrapolation: theta=1.3705095068 (1.3705095068)
-931.40025980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4035031171 (a.u.)
total exchange computation time: 2.6796848774 s
-154.3871271046
Anderson extrapolation: theta=0.0593115034 (0.0593115034)
-931.40040841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4033946341 (a.u.)
total exchange computation time: 2.6803200245 s
-154.3882676532
Anderson extrapolation: theta=2.0794296703 (2.0000000000)
-931.40041494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4031737535 (a.u.)
total exchange computation time: 2.6782200336 s
-154.3906132627
Anderson extrapolation: theta=0.2743297540 (0.2743297540)
-931.40042229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4031233636 (a.u.)
total exchange computation time: 2.6794321537 s
-154.3911750298
Anderson extrapolation: theta=1.5492387585 (1.5492387585)
-931.40042384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4030713008 (a.u.)
total exchange computation time: 2.6810698509 s
-154.3917941523
Anderson extrapolation: theta=0.3425741788 (0.3425741788)
-931.40042537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4030777228 (a.u.)
total exchange computation time: 2.6782288551 s
-154.3917693833
Anderson extrapolation: theta=1.1135136678 (1.1135136678)
-931.40042579
-117.396157 68.321881 97.235268
558.956220 1031.492309 -409.992362
441.560064 1099.814190 -312.757094
1225.717562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.4031010907 (a.u.)
total exchange computation time: 2.6154069901 s
679.36581278
-1084.70824692
89.83687851
-388.53825745
-174.95351193
78.85559629
551.60419304
0.00000000
-931.40042610
4.06707986 -31.25901756 -2.21438910
0.00002377 -0.00046251 0.00003468
0.00579629 0.00257193 -0.00156180
-11.50259190 -1.53897889 -9.31244866
-0.00014735 0.00020573 -0.00011468
-0.00075202 0.00415938 0.00609450
-37.52357288 2.41452045 0.22431480
-0.00000106 -0.00009763 0.00010097
-0.00225849 -0.02694105 0.02699663
-11.71574617 -4.20675838 3.97825844
-0.00010479 -0.00005855 0.00018804
-0.04669282 0.02264949 0.02219825
4.10651323 -4.02536007 8.95894789
-0.00021863 -0.00012406 -0.00036492
-0.00666746 -0.05009131 0.00160101
-32.52172305 -0.31532969 -0.13254738
-0.00066259 0.00013168 0.00049344
-0.00371874 -0.03126690 -0.00592768
14.33880820 12.48020527 -13.58950129
-0.00031643 -0.00009008 0.00026609
-0.03032426 0.01810799 -0.05110038
-7.73964792 6.07064401 2.67179156
-0.00006900 0.00010954 0.00016404
-0.00428521 0.01888200 0.00773670
7.35437610 12.29790569 -6.04269542
-0.00035005 -0.00034902 -0.00027548
0.00267655 -0.01205389 0.01431297
8.81758805 9.93862558 -19.05257026
-0.00004226 0.00003007 -0.00014719
-0.01395070 -0.00646400 0.01711367
23.16302945 17.33479820 -2.28932325
0.00001423 -0.00000667 -0.00024633
0.02417127 -0.01626438 -0.01077653
2.10392761 16.81330624 -19.63352490
-0.00008144 0.00006896 -0.00001006
-0.01565504 0.02185280 -0.03192863
13.97726523 -0.97520385 -5.77805092
0.00001255 0.00024541 -0.00019342
0.02093521 -0.00775751 -0.01473490
-16.05510568 -1.36748311 3.24545134
-0.00005423 -0.00010050 -0.00006941
0.02150193 0.00061245 0.00056491
-16.25333437 -2.16780809 18.81840238
0.00045975 -0.00030311 -0.00006399
-0.02936784 0.01376915 -0.01925593
0.49710152 2.10601174 -4.75926459
0.00004440 0.00005624 0.00025498
-0.04112558 -0.00819457 -0.00419416
22.76143296 -7.10407330 -8.81350553
-0.00005555 0.00009478 0.00003600
-0.03348479 0.01359433 0.00038834
-0.76907709 -6.32027849 7.29349999
0.00001349 -0.00007997 0.00007657
0.01385237 -0.01007978 -0.01751850
-1.75671197 -1.37011487 -19.33715675
-0.00001433 -0.00008202 -0.00001141
0.02897011 -0.02628527 -0.00095135
3.17879430 1.72965744 -9.29073054
-0.00011486 -0.00023358 0.00006955
-0.01506678 -0.01050381 0.03666471
-3.71134234 17.71619661 12.31626669
0.00043441 -0.00013305 0.00000067
-0.01227507 0.01223446 0.00209881
-3.80711201 5.08463586 -11.15033614
-0.00016793 0.00014282 -0.00027192
-0.06860381 -0.00813936 -0.03168418
-7.91304763 2.76109233 -8.90523073
0.00009318 -0.00011739 0.00007495
0.03162756 0.02858342 -0.02809799
2.44212246 27.49428457 8.81489013
0.00009195 0.00011499 0.00038198
-0.01621099 0.00789033 0.01567755
9.55133710 -6.23318296 -1.77565067
-0.00030749 -0.00005486 0.00009926
0.00291841 -0.02530674 0.00818409
-8.70324212 0.79102130 6.08526108
0.00006274 -0.00018092 0.00031200
0.03692020 -0.00430589 -0.00020513
20.44619209 10.86292601 8.75867153
0.00018681 0.00015407 -0.00016447
-0.00430282 0.03355736 -0.00943329
-2.00981237 -2.18303236 -27.52886121
0.00028597 -0.00012613 -0.00034491
-0.04601939 0.03183784 -0.01297116
-14.25488315 6.14076916 7.94061288
0.00015993 0.00001665 0.00030987
-0.00019315 0.01173700 -0.00472150
-9.59823760 7.24105243 -2.21244928
-0.00009502 -0.00008473 0.00043889
-0.01001360 0.00712938 -0.00322958
-1.75464302 -15.21410715 23.29725726
-0.00003841 0.00039071 -0.00038740
-0.05421098 -0.04580072 -0.00570341
-2.70578474 6.32168431 -6.13212993
0.00004101 -0.00006738 0.00016791
-0.01989660 -0.00231303 -0.01791060
-20.27004286 30.44422984 4.16890422
-0.00034928 -0.00072640 0.00006567
-0.01290110 -0.00098829 0.00608945
7.72014338 0.39050269 7.59536581
0.00009521 0.00040750 -0.00030617
-0.02240654 0.02726638 -0.02520682
5.74264210 11.42061076 -13.46288960
0.00006160 -0.00043616 0.00014388
0.06113397 -0.02426038 0.05945639
15.55754653 2.75626624 -1.75124594
0.00013219 0.00013419 0.00018554
0.02226389 0.04078889 0.00351481
-4.44665920 13.19174301 -0.78599298
-0.00011128 -0.00031073 -0.00001901
0.01124940 0.00178721 -0.01613330
4.74832083 12.49787078 2.69521349
0.00003205 0.00006988 -0.00046547
0.01112324 -0.02264026 0.01188627
25.08702629 -11.51184151 -9.92526990
0.00013687 0.00004739 0.00003900
-0.00581589 -0.01120159 0.03032659
16.76238648 -3.58814261 -0.71518713
0.00020250 0.00021450 -0.00010292
0.00943506 0.03854482 -0.00385483
13.28556108 7.95013502 10.22011822
0.00041649 -0.00022638 0.00024203
-0.00701430 -0.02628603 0.00888206
1.67449549 -14.05442759 17.55780104
0.00028024 0.00000849 -0.00011675
-0.01436917 -0.00949728 -0.00610569
-3.77217956 -0.71683328 -14.18721760
0.00038942 0.00005989 -0.00011819
-0.01072090 0.00989071 -0.01610870
15.01144731 -7.51249630 -8.86245691
-0.00001670 0.00013977 -0.00001450
0.00528461 -0.01453846 0.01353854
8.36830167 -7.04937291 8.93620476
-0.00007286 -0.00001330 0.00022721
0.00735671 0.01316422 0.00549422
-21.10125394 2.32153661 22.83038539
0.00002814 0.00010476 0.00019916
-0.00851474 0.00713729 -0.03981822
25.70141622 -3.17534174 -8.17937295
0.00004546 0.00021435 -0.00018086
-0.00306977 0.01378202 -0.00221726
9.89629278 -13.92451101 -8.37139592
0.00004664 0.00013272 -0.00032326
0.00196131 -0.01716587 0.00519493
-6.72702231 -12.40498471 16.98304864
0.00000901 0.00008403 -0.00006578
-0.00350080 -0.00230350 -0.01697178
7.73493235 3.05637621 -29.31171863
-0.00055819 -0.00030291 0.00003422
-0.02674777 -0.01646348 -0.01658206
11.03507191 15.59784315 15.41216121
0.00023124 0.00034967 0.00006905
-0.00451324 -0.02510295 -0.07099592
28.73624141 6.26804935 -3.45887156
0.00005746 0.00024990 -0.00014158
-0.00244211 0.00588718 0.01127817
5.34856640 -31.80530832 -3.46773402
-0.00000650 -0.00079730 0.00015089
-0.00822737 0.00471476 0.00943675
4.78246059 -31.29297150 -0.46399052
0.00055789 -0.00048560 -0.00017436
-0.01007381 -0.00745495 -0.01314584
-12.03631154 -3.23776474 -9.11983674
-0.00023716 0.00041328 -0.00051436
-0.00504648 -0.02644931 0.00645671
-12.35939918 -0.97670922 -10.77737325
0.00034796 0.00113566 -0.00044659
-0.00681269 0.01180851 -0.01852340
-39.00852070 2.10701342 1.29456735
-0.00002566 0.00052787 0.00049967
0.01357369 0.00593736 -0.01370634
-37.91140555 3.77445880 -0.85137692
-0.00012062 0.00055670 -0.00029056
-0.00844444 0.03075488 -0.02244702
-10.77591054 -5.52895303 3.31546909
-0.00010253 0.00017498 -0.00053962
0.02946196 -0.03477366 -0.01779410
-10.74296679 -2.71160287 3.91646919
0.00048951 -0.00014665 0.00065373
0.01595267 0.01625592 0.00111417
4.34863084 -2.39851268 8.38214376
-0.00059662 0.00008045 0.00000979
0.00858693 0.04469239 -0.01563490
3.81877097 -3.88908069 10.75082157
-0.00077896 -0.00079020 -0.00072113
0.00460632 -0.00060773 0.00802459
-34.06813707 -1.29023054 0.02210701
-0.00074230 0.00061542 0.00051864
0.00701194 0.00010130 -0.00612653
-32.98873842 1.16054681 0.74104646
-0.00018769 0.00023780 -0.00109886
-0.00503987 0.02652849 0.01020791
13.63365804 12.83712115 -15.42133820
-0.00056115 0.00039867 0.00075259
0.02278524 -0.00772940 0.04700353
16.13062995 12.52113163 -13.80114517
0.00088723 0.00045265 -0.00127344
0.01485129 -0.00513593 -0.00457096
-8.43714909 7.51993392 1.76297191
0.00045737 0.00086420 0.00027775
0.00528716 -0.00849522 0.00238182
-7.34865280 4.92775774 1.32454562
0.00046327 -0.00110443 -0.00063988
0.00052903 -0.01446212 -0.01046728
6.20168696 12.42865447 -7.40450770
0.00047775 0.00015129 -0.00064361
-0.01606781 -0.00180390 -0.01465549
8.75455971 13.37793048 -6.55966738
0.00001641 -0.00016595 0.00039076
0.01748962 0.01829761 -0.00134679
8.54531882 8.54559767 -20.14973732
0.00048023 -0.00082218 0.00006812
0.00521953 -0.01054448 -0.01195387
10.35143433 10.83527868 -19.43689220
0.00104490 -0.00091579 0.00053885
0.01229331 0.00540950 -0.00651788
24.14688636 15.74676338 -2.78876013
-0.00000680 0.00025571 0.00003086
-0.01234061 0.01530187 0.00884318
24.35868668 18.65287761 -2.77095665
-0.00126479 0.00084218 -0.00089438
0.00363923 -0.00435977 0.00265026
1.70419407 17.00686874 -21.54566148
-0.00080374 0.00032765 -0.00062163
0.00499408 -0.00854484 0.03297422
3.54303653 15.70269953 -19.52970257
0.00048916 -0.00039417 0.00052268
0.00428299 -0.01108448 0.00304573
12.72927266 -1.51504103 -7.05689393
0.00093787 -0.00101711 -0.00016959
0.00195721 0.00739482 0.01492190
13.34368793 -0.90247808 -4.10832989
-0.00093931 -0.00024899 -0.00008573
-0.01816840 -0.00585039 0.00887236
-17.61983244 -1.97763595 2.72652406
-0.00038540 0.00061781 0.00106089
-0.04331918 -0.01181972 -0.00526964
-14.97458918 -2.75493760 2.75028558
-0.00049779 -0.00020309 -0.00031409
0.01330243 -0.00070067 0.01159617
-16.68597517 -0.72951762 19.84647895
0.00057166 -0.00014678 -0.00124430
0.00677606 0.01033866 0.00283716
-15.14388583 -3.14418607 19.78381885
0.00052164 0.00020000 0.00001364
0.02367052 -0.02167402 0.01647605
-0.47332963 0.47187026 -4.92537227
0.00051144 0.00039054 -0.00023531
0.01425669 0.00180458 -0.00064501
-1.05427924 3.15994123 -4.98884353
-0.00042813 -0.00004861 -0.00025712
0.02353999 0.00735477 -0.00071019
23.45380398 -8.72733012 -9.19426349
0.00097040 -0.00015684 -0.00035520
0.02098694 -0.01054009 -0.00190459
23.95355652 -5.77525282 -8.40233334
0.00016348 0.00007743 0.00067610
0.00801538 -0.00366568 -0.00089318
0.00889824 -6.30607909 5.59162079
-0.00106332 -0.00003843 -0.00063181
-0.01285472 0.00326809 0.00798302
0.77851496 -6.43416487 8.26539241
0.00031107 -0.00008681 -0.00009682
-0.00192535 0.00928353 0.00812006
-0.32846984 -2.63483647 -19.55464267
0.00065042 0.00067726 -0.00012609
-0.02718931 0.02457019 0.01079756
-3.03950469 -2.03247135 -20.45498770
-0.00081812 -0.00019313 -0.00002503
-0.00621662 -0.00287506 -0.00715340
2.81738438 3.10237439 -10.43265775
0.00050406 0.00017017 0.00102634
-0.00726877 0.00363222 -0.00905234
1.95985961 1.73378971 -7.77913943
-0.00033335 -0.00074985 -0.00008105
0.01853362 0.01716214 -0.02423750
-2.19097015 16.68068563 12.28586738
-0.00090898 0.00036071 0.00010440
0.00974596 -0.00502906 0.00567994
-3.72472813 18.49545621 13.98397522
0.00021650 -0.00008430 0.00050311
0.01380401 0.00642416 -0.00407428
-5.54945383 5.99860779 -11.07618934
0.00021597 -0.00029590 0.00014217
0.04235351 -0.00528120 -0.00603066
-4.35008097 3.70377910 -12.38248385
0.00033509 0.00041375 0.00050012
0.02809080 0.02409980 0.02250060
-7.69680967 1.61031982 -7.50042224
-0.00026691 -0.00139938 -0.00015103
0.00308559 -0.00577022 0.00438622
-6.17438739 3.29822798 -9.53445050
0.00006890 -0.00036872 0.00018231
-0.03764439 -0.01941599 0.02606996
3.01229730 27.85348582 7.14131365
0.00053269 -0.00086393 -0.00060866
0.00144042 -0.00037139 -0.01128833
1.15195461 28.78698195 9.10142439
0.00060669 0.00030126 -0.00008300
0.00769855 -0.01156087 0.00120239
10.60151617 -7.37431081 -0.70179772
-0.00041836 0.00066844 0.00008992
-0.01072950 0.01795024 -0.00921307
8.41416407 -7.41183333 -2.64567389
-0.00007655 -0.00048888 0.00078206
0.00634458 0.01020217 0.00557594
-7.06581088 0.18119168 6.85912062
0.00017150 -0.00040748 0.00013012
-0.01478537 0.00747118 -0.01065209
-9.95412638 0.21001284 7.21430970
-0.00073219 0.00155749 -0.00044495
-0.01983127 -0.01118188 0.01408300
21.33995362 10.83895596 10.34622509
-0.00078450 0.00106581 0.00060914
0.00354969 -0.00291785 0.00200707
20.48520752 12.74254857 8.30438794
-0.00064895 -0.00023287 -0.00016877
0.00510513 -0.03072644 0.00173798
-1.05459537 -3.19859562 -26.45963626
0.00025431 0.00049587 -0.00005752
0.02847634 -0.03864751 0.02338735
-3.55941844 -2.02505575 -26.52369366
0.00012902 0.00019665 0.00098524
0.00192318 0.00219640 -0.00830521
-13.67205110 7.20858933 9.30277720
0.00075180 -0.00051469 0.00061570
0.00358414 -0.00585533 0.00764157
-15.41750402 7.35751335 7.19828710
0.00008359 0.00026262 0.00008134
0.00337041 -0.00633139 -0.00286847
-11.27547350 7.91707092 -2.44150692
-0.00035287 0.00022615 0.00086752
-0.00940155 -0.01086073 0.00528384
-8.75071417 8.19992822 -3.55557393
-0.00102550 -0.00045018 0.00044840
0.01057121 -0.00180893 0.00070247
-1.09192081 -16.91351534 22.75475022
-0.00022377 0.00004997 -0.00080749
0.00112973 0.02325763 0.00650862
-3.63895050 -15.69578000 23.61813950
0.00096501 0.00007584 -0.00038126
0.05253462 0.02117477 -0.00275606
-2.67471367 6.40236749 -7.99560070
-0.00079894 -0.00015407 -0.00007876
0.00693377 -0.00762064 0.01350313
-4.50184395 6.67132743 -5.84024417
-0.00095428 -0.00032982 0.00084494
0.01159158 0.00231254 0.00741086
-21.65162450 29.72457640 3.07796091
-0.00044328 0.00047276 0.00058466
0.00977291 0.00887983 0.00640859
-21.22419999 30.94924925 5.66367250
-0.00018311 -0.00044649 -0.00123221
0.00198904 0.00342855 -0.00628945
6.82801993 0.11777811 5.92308106
0.00028523 -0.00013709 0.00026281
0.02019534 -0.01736294 0.01912556
7.27401091 2.19209318 7.70440865
-0.00048682 0.00039429 0.00025004
0.00974239 -0.00699366 0.01614015
7.10668556 12.80490684 -13.24412902
-0.00040290 -0.00023891 0.00138403
-0.01555058 -0.01563784 -0.01135726
4.80942686 11.79164882 -14.83208155
0.00074369 0.00022030 -0.00005043
-0.04189844 0.01941679 -0.06292249
14.27579515 3.83447036 -2.48293104
-0.00008274 0.00027491 0.00114488
-0.00220830 0.00182034 -0.00213769
14.86302719 1.14289805 -1.72722809
-0.00029721 -0.00019554 0.00089468
-0.01402803 -0.03047557 0.00376549
-2.81928817 12.59712994 -0.25041713
-0.00048423 -0.00108364 0.00077672
0.00444959 -0.00126783 -0.00087750
-5.51732658 13.00183456 0.66885396
0.00033175 -0.00024502 0.00012578
-0.01142996 -0.00373063 0.00898803
3.29973798 11.35240830 2.95364778
0.00056394 0.00143329 -0.00137151
0.00713249 0.00242598 -0.00147518
6.28588398 11.32723916 3.02834608
-0.00061317 -0.00022856 0.00020023
-0.01814472 0.02570512 -0.00617087
25.25822530 -12.50268743 -8.36713717
-0.00034875 -0.00011428 -0.00040373
-0.00275991 0.00253417 -0.01184522
26.62489875 -11.60047702 -11.00692144
-0.00127327 0.00071111 -0.00033032
-0.01075690 0.00240267 -0.00406030
15.34620897 -3.15545926 0.30710573
0.00169192 0.00114636 0.00055732
-0.01282021 0.00197525 0.00342321
16.95897636 -5.34676186 -0.62837745
-0.00008479 0.00030128 -0.00041971
0.00518927 -0.03766438 -0.00043494
12.10759788 7.84817365 11.70799967
0.00000248 0.00046645 -0.00111698
0.01581431 0.01316957 -0.01732024
13.40570420 9.69421060 9.64496084
-0.00028396 -0.00024711 -0.00024865
0.00200352 0.00172799 0.00268436
-0.11804042 -14.63062956 17.43700224
-0.00025723 0.00024773 0.00031372
0.01705963 -0.00120038 -0.00689474
1.49393041 -12.59086259 18.57398559
0.00015994 -0.00080549 0.00036824
0.00775166 0.01819169 0.01166376
-4.00301908 -1.99791625 -12.91950399
0.00009386 0.00017932 0.00108859
0.00554893 -0.00985051 0.00415386
-3.14167413 -1.49755347 -15.74597475
0.00035356 -0.00049716 0.00170166
0.00070707 0.00338066 0.01332661
14.78817584 -8.19934767 -10.52700324
0.00016725 0.00064881 0.00063617
-0.00199591 0.00120968 -0.01233713
16.31115830 -6.11747590 -8.94613988
-0.00082370 -0.00099306 0.00037550
-0.00441265 -0.01090395 -0.01341840
6.96519289 -6.01584161 8.37846405
0.00033206 0.00080293 -0.00049093
-0.01486657 0.01121907 0.00930710
9.62878062 -6.53717674 7.76490613
0.00061141 0.00043136 -0.00010030
0.01834092 0.00057399 -0.01018374
-21.70680070 1.99728551 21.04503591
0.00079854 0.00009685 -0.00065882
0.02040654 0.00860874 0.02180101
-22.39124070 1.50759287 23.80058387
0.00010675 0.00016533 -0.00013987
-0.00782064 -0.01476284 0.01408792
26.76402192 -2.96814968 -6.70000527
0.00028420 0.00003146 -0.00008168
0.00152337 0.00386014 -0.00154465
25.28219553 -1.45503176 -8.83976866
0.00018718 0.00017033 -0.00045080
0.00884358 -0.01312308 0.00839813
9.95200087 -15.69225756 -7.82054363
0.00057958 -0.00068642 -0.00027728
-0.00730852 0.01066415 0.00097631
9.40576959 -12.89649049 -6.92908108
0.00017253 0.00041579 -0.00061809
-0.00466759 -0.00279097 -0.00532189
-5.94987773 -11.34761071 18.21654813
0.00058644 0.00057393 0.00034502
0.01015335 0.01220012 0.01402769
-6.90907333 -11.33998759 15.50312933
0.00050087 0.00050144 0.00018657
-0.00095653 0.00059621 0.00101221
8.35868226 1.35002325 -29.51653377
0.00061937 -0.00067968 -0.00037770
0.01510532 0.00142544 0.00537681
5.99772291 2.73165384 -30.04825269
0.00010216 -0.00112602 -0.00038104
0.01664437 0.01239475 0.00685788
12.76114125 14.96418541 14.48274498
-0.00049992 -0.00042607 -0.00013115
-0.02165986 0.02250172 0.02176404
11.22933651 15.98803345 17.08918190
0.00026738 0.00047553 -0.00020801
0.01288146 0.01298073 0.05223265
29.31710796 4.94565600 -4.63817400
0.00002461 0.00024197 -0.00064880
-0.01185811 0.00641673 -0.00030537
26.96890823 6.79046594 -3.79704800
0.00052460 0.00064536 0.00032504
0.01438713 -0.00996121 -0.00421707
-9.94975279 4.92726633 6.54968357
-0.00002036 0.00021045 -0.00022051
0.00032250 0.00953516 0.00195670
-8.79105298 13.35703157 2.59557189
-0.00012686 0.00005046 0.00001153
-0.00403759 -0.00428708 0.00541981
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09555501
0.30487109
406.22544237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4049448752 (a.u.)
total exchange computation time: 2.6188700199 s
-154.3605586808
-931.40387575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4042229545 (a.u.)
total exchange computation time: 2.6144990921 s
-154.3672614182
Anderson extrapolation: theta=1.3460111588 (1.3460111588)
-931.40410710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.4031456729 (a.u.)
total exchange computation time: 2.6144769192 s
-154.3771723390
Anderson extrapolation: theta=0.0510563493 (0.0510563493)
-931.40424476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4030084721 (a.u.)
total exchange computation time: 2.6181490421 s
-154.3784245425
Anderson extrapolation: theta=1.8813784788 (1.8813784788)
-931.40424954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4027266496 (a.u.)
total exchange computation time: 2.6153349876 s
-154.3809751375
Anderson extrapolation: theta=0.2165563892 (0.2165563892)
-931.40425400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4026594330 (a.u.)
total exchange computation time: 2.6150639057 s
-154.3815664639
Anderson extrapolation: theta=1.8822101421 (1.8822101421)
-931.40425474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4025537170 (a.u.)
total exchange computation time: 2.6185960770 s
-154.3824789113
Anderson extrapolation: theta=0.2921571284 (0.2921571284)
-931.40425552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4025445210 (a.u.)
total exchange computation time: 2.6163370609 s
-154.3825414153
Anderson extrapolation: theta=1.3245685082 (1.3245685082)
-931.40425571
-117.443067 68.328088 97.246296
558.979725 1031.503685 -409.975075
441.536658 1099.831774 -312.728779
1225.717684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.247 s
total exchange = -52.4025490612 (a.u.)
total exchange computation time: 2.6167011261 s
679.35148625
-1084.67333698
89.83401486
-388.56344098
-174.95042983
78.83279846
551.60419304
0.00000000
-931.40425575
4.06745876 -31.26594530 -2.21387500
0.00002690 -0.00046123 0.00003393
0.00636183 0.00241695 -0.00133720
-11.50480509 -1.53587686 -9.31414537
-0.00014795 0.00020857 -0.00011216
-0.00157417 0.00688507 0.00372449
-37.52359757 2.41295205 0.22593342
-0.00000276 -0.00010996 0.00011377
-0.00431421 -0.02098247 0.02277641
-11.71749818 -4.20754921 3.98116459
-0.00012808 -0.00004680 0.00019925
-0.04386302 0.02301254 0.02142038
4.10320806 -4.02741416 8.95348025
-0.00022185 -0.00014954 -0.00036481
-0.00585689 -0.04901302 -0.00118692
-32.53167621 -0.31347504 -0.12516862
-0.00066363 0.00011435 0.00048947
-0.00032627 -0.03615349 -0.00950631
14.33394473 12.47892397 -13.58570707
-0.00032895 -0.00008063 0.00023967
-0.01833651 0.01863457 -0.05162670
-7.74069951 6.07235993 2.67428203
-0.00007074 0.00011777 0.00016582
-0.00247432 0.01310998 -0.00080752
7.34913565 12.29262391 -6.04677239
-0.00034792 -0.00035487 -0.00026802
0.00561081 -0.01069042 0.01471071
8.81690040 9.93905172 -19.05471206
-0.00004903 0.00002622 -0.00013924
-0.01238162 -0.00850667 0.01377205
23.16333621 17.33463538 -2.29305972
0.00002624 -0.00001470 -0.00025158
0.02251949 -0.01494781 -0.00965655
2.10264559 16.81442499 -19.63379895
-0.00008867 0.00007943 -0.00002687
-0.01243439 0.01883153 -0.03345158
13.97753425 -0.97155257 -5.78100903
0.00002320 0.00024150 -0.00019970
0.02048705 -0.00745829 -0.00968117
-16.05583618 -1.36898829 3.24441232
-0.00004283 -0.00009983 -0.00006888
0.02284163 0.00201079 0.00151167
-16.24655135 -2.17230156 18.81736827
0.00044473 -0.00029674 -0.00007475
-0.02905898 0.01097873 -0.02259286
0.49760887 2.10682373 -4.75545606
0.00002313 0.00005282 0.00025277
-0.04156384 -0.00511159 -0.00440291
22.76047060 -7.10259910 -8.81296400
-0.00007160 0.00010070 0.00003604
-0.02895824 0.00940525 -0.00025080
-0.76882138 -6.32151686 7.29458098
0.00002070 -0.00008512 0.00006746
0.01419893 -0.00997701 -0.01792792
-1.75681514 -1.37144651 -19.33733152
-0.00000033 -0.00009561 -0.00001254
0.02545208 -0.02656796 -0.00345292
3.17701323 1.72611330 -9.28954592
-0.00012251 -0.00023960 0.00008879
-0.01465676 -0.01294123 0.03817468
-3.70487360 17.71424799 12.31628485
0.00042601 -0.00012492 0.00000251
-0.02035679 0.01939900 0.00503397
-3.80989562 5.08674675 -11.15453721
-0.00020221 0.00013918 -0.00028729
-0.06470169 -0.00600619 -0.02809132
-7.91152795 2.75944173 -8.90421481
0.00010930 -0.00010345 0.00006140
0.03106910 0.02560603 -0.02461327
2.44343913 27.49603980 8.82068036
0.00008474 0.00011887 0.00038826
-0.01180727 0.00720381 0.00873367
9.54673597 -6.23410349 -1.77413014
-0.00030621 -0.00006720 0.00010316
0.00205423 -0.02268479 0.00697539
-8.70215862 0.78829096 6.08994031
0.00008245 -0.00018273 0.00031103
0.03973592 -0.00274493 -0.00357846
20.44897765 10.86536652 8.75616811
0.00018468 0.00017080 -0.00016878
-0.00400055 0.03148460 -0.00733859
-2.00570033 -2.18480150 -27.53408490
0.00026093 -0.00010954 -0.00035076
-0.05135200 0.03268581 -0.00978742
-14.25248494 6.14106424 7.94524277
0.00015966 0.00002296 0.00030735
-0.00086688 0.01278248 -0.00510839
-9.59970147 7.23980895 -2.20587844
-0.00010119 -0.00008127 0.00043776
-0.01401255 0.00635023 -0.00114006
-1.75542826 -15.20842323 23.29142419
-0.00006514 0.00036688 -0.00039073
-0.04975272 -0.04684973 -0.00720887
-2.70524639 6.32066471 -6.12968043
0.00002909 -0.00006833 0.00015877
-0.02645507 -0.00137798 -0.01761755
-20.27533181 30.43333006 4.16991275
-0.00035450 -0.00072708 0.00006776
-0.00739958 -0.00168198 0.00203032
7.72148506 0.39672033 7.59067597
0.00008402 0.00042176 -0.00031830
-0.02110298 0.02818367 -0.02193386
5.74380185 11.41397474 -13.46050207
0.00009269 -0.00044859 0.00017423
0.05978468 -0.02405316 0.05857300
15.55961527 2.75843641 -1.74844924
0.00014332 0.00015370 0.00018756
0.02101475 0.03510090 0.00432576
-4.44828500 13.18708897 -0.78634042
-0.00010500 -0.00031001 -0.00002716
0.01316610 0.00102195 -0.01555077
4.74884456 12.49883168 2.68827728
0.00003932 0.00005963 -0.00045957
0.01714899 -0.01724599 0.01105554
25.08905692 -11.51117393 -9.92456799
0.00013228 0.00004223 0.00005490
-0.01205493 -0.00884096 0.03151299
16.76546033 -3.58477647 -0.71674577
0.00020833 0.00023422 -0.00010567
0.01323276 0.03813748 -0.00685036
13.29178140 7.94663790 10.22378299
0.00041349 -0.00023942 0.00024552
-0.00466771 -0.02442721 0.00466267
1.67864364 -14.05433687 17.55602619
0.00027221 0.00000290 -0.00012028
-0.01686467 -0.01224909 -0.00761984
-3.76637956 -0.71589683 -14.18905256
0.00038286 0.00006472 -0.00012325
-0.01478532 0.00892018 -0.00357292
15.01121712 -7.51045590 -8.86262218
-0.00001488 0.00013160 -0.00000617
0.00180515 -0.01721578 0.01885039
8.36723709 -7.04952159 8.93963413
-0.00006836 -0.00000546 0.00022860
0.01016427 0.01729537 -0.00009670
-21.10086462 2.32313547 22.83321921
0.00002408 0.00010859 0.00017782
-0.00730396 0.00778367 -0.04318915
25.70208634 -3.17207337 -8.18209447
0.00004412 0.00022137 -0.00018167
-0.00215804 0.01352781 -0.00090479
9.89700001 -13.92258639 -8.37622475
0.00004779 0.00012254 -0.00032052
0.00250553 -0.02243833 0.00543643
-6.72690063 -12.40373312 16.98199654
0.00000797 0.00008397 -0.00007322
-0.00054046 0.00206102 -0.01196272
7.72645635 3.05176901 -29.31126925
-0.00057083 -0.00031279 0.00002566
-0.02240440 -0.02193877 -0.01673381
11.03852306 15.60299136 15.41292318
0.00022862 0.00033660 0.00003228
-0.00566458 -0.02572047 -0.07199544
28.73709386 6.27182056 -3.46095179
0.00005711 0.00025237 -0.00013586
0.00109539 0.00370474 0.01097238
5.34821673 -31.81712331 -3.46518157
-0.00004057 -0.00077786 0.00018830
-0.00845071 0.00480168 0.00887788
4.79052028 -31.30048388 -0.46700870
0.00051590 -0.00051533 -0.00022808
-0.01047998 -0.00710059 -0.01315374
-12.04002361 -3.23237597 -9.12735436
-0.00025944 0.00030319 -0.00048887
-0.00585935 -0.02744105 0.00602203
-12.35438852 -0.95931240 -10.78463965
0.00032332 0.00118056 -0.00051664
-0.00524823 0.01016647 -0.01576693
-39.00848968 2.11511334 1.30164234
0.00003073 0.00055178 0.00044262
0.01402950 0.00577100 -0.01421969
-37.91347367 3.78375167 -0.85642317
-0.00015165 0.00067081 -0.00037331
-0.00674365 0.02510408 -0.01805796
-10.77654566 -5.52739388 3.30682949
0.00001520 0.00003569 -0.00061087
0.02816509 -0.03341183 -0.01708407
-10.73513532 -2.71330455 3.92630927
0.00055150 -0.00008389 0.00065871
0.01439330 0.01446711 0.00132411
4.33994472 -2.39593645 8.38181153
-0.00056239 0.00026057 -0.00005264
0.00816589 0.04347763 -0.01492396
3.80722779 -3.90095225 10.74025056
-0.00076093 -0.00079206 -0.00068386
0.00421653 -0.00030633 0.01021707
-34.07905674 -1.28099612 0.02969880
-0.00071613 0.00061432 0.00049428
0.00580166 -0.00063790 -0.00579542
-32.99170813 1.16492667 0.72487642
-0.00021218 0.00035816 -0.00105062
-0.00695287 0.03239142 0.01340164
13.62593907 12.84286431 -15.40860897
-0.00046987 0.00036705 0.00094182
0.02189296 -0.00774861 0.04562322
16.14439345 12.52776406 -13.82038680
0.00092481 0.00043077 -0.00128783
0.00354536 -0.00557478 -0.00247594
-8.43012654 7.53263662 1.76721117
0.00048108 0.00082432 0.00028842
0.00631939 -0.01102822 0.00283832
-7.34168747 4.91074816 1.31462664
0.00045991 -0.00114672 -0.00066575
-0.00217779 -0.00624108 -0.00219673
6.20836079 12.43086850 -7.41461088
0.00040994 0.00014407 -0.00070566
-0.01712583 -0.00172891 -0.01571868
8.75534174 13.37600199 -6.55384729
0.00008462 -0.00009357 0.00038663
0.01590356 0.01712895 -0.00067129
8.55268219 8.53294189 -20.14908176
0.00050247 -0.00085890 0.00002490
0.00566990 -0.00743213 -0.00920489
10.36748460 10.82170756 -19.42900924
0.00109048 -0.00089559 0.00051368
0.01001739 0.00447932 -0.00580049
24.14640627 15.75106793 -2.78802630
-0.00005488 0.00031648 0.00006545
-0.01119567 0.01444436 0.00809003
24.33982627 18.66537668 -2.78429118
-0.00124838 0.00082300 -0.00088314
0.00439436 -0.00503020 0.00285213
1.69229100 17.01152160 -21.55397547
-0.00078002 0.00029132 -0.00048190
0.00661675 -0.00923620 0.03542345
3.55050515 15.69644725 -19.52176904
0.00049672 -0.00043161 0.00053245
-0.00057977 -0.00723841 0.00173501
12.74340076 -1.53007101 -7.05898051
0.00094312 -0.00098790 -0.00011136
0.00061233 0.00690034 0.01358397
13.32904151 -0.90639221 -4.10934399
-0.00101009 -0.00027292 -0.00005672
-0.01647716 -0.00586444 0.00533126
-17.62694092 -1.96873102 2.74227591
-0.00056501 0.00056790 0.00103832
-0.04460205 -0.01260936 -0.00577914
-14.98164840 -2.75800539 2.74592962
-0.00044353 -0.00020725 -0.00026750
0.01325563 -0.00133727 0.01120783
-16.67719270 -0.73140247 19.82790142
0.00059732 -0.00009793 -0.00122740
0.00578566 0.01357009 0.00543477
-15.13533595 -3.14185027 19.78452837
0.00061935 0.00011060 0.00008235
0.02416285 -0.02208543 0.01715875
-0.46522113 0.47778372 -4.92892164
0.00056714 0.00039340 -0.00023780
0.01300715 -0.00040495 -0.00057419
-1.05997990 3.15943742 -4.99272214
-0.00032864 -0.00002009 -0.00025914
0.02516017 0.00660897 -0.00027554
23.46900315 -8.73000577 -9.19964983
0.00105098 -0.00018989 -0.00036026
0.01845684 -0.00563627 -0.00057248
23.95625437 -5.77420370 -8.39221927
0.00019275 0.00006006 0.00067114
0.00631312 -0.00483764 -0.00153316
-0.00744544 -6.30655537 5.58238825
-0.00111487 -0.00002502 -0.00059564
-0.01238141 0.00329531 0.00972249
0.78312206 -6.43518251 8.26418889
0.00030126 -0.00004890 -0.00006669
-0.00287695 0.00927072 0.00662883
-0.31954665 -2.62392459 -19.55620319
0.00053817 0.00077580 -0.00008294
-0.02775849 0.02366230 0.01032365
-3.05196703 -2.03545644 -20.45558240
-0.00083446 -0.00020250 -0.00004840
-0.00177988 -0.00170919 -0.00428413
2.82472256 3.10503828 -10.41754000
0.00047282 0.00018972 0.00098528
-0.00802467 0.00593735 -0.01104599
1.95542729 1.72306783 -7.78109794
-0.00025707 -0.00067898 -0.00017986
0.01880758 0.01752872 -0.02413084
-2.20430613 16.68594217 12.28760742
-0.00085270 0.00032947 0.00012660
0.01780195 -0.01026392 0.00518925
-3.72105756 18.49438861 13.99139708
0.00027275 -0.00006152 0.00048010
0.01372802 0.00472455 -0.00719333
-5.54491649 5.99400741 -11.07424164
0.00038425 -0.00031497 0.00011737
0.04002111 -0.00405113 -0.00610620
-4.34419385 3.71072381 -12.37429263
0.00044685 0.00050537 0.00058539
0.02661851 0.02074870 0.01924067
-7.70071880 1.58915226 -7.50255332
-0.00025515 -0.00141685 -0.00013942
0.00267083 -0.00277939 0.00129929
-6.17450751 3.29210216 -9.53091700
-0.00008305 -0.00044741 0.00028802
-0.03673307 -0.01910149 0.02567622
3.02033173 27.84051557 7.13183779
0.00053274 -0.00086750 -0.00064063
-0.00141468 -0.00137789 -0.00435819
1.16129091 28.79114659 9.10021626
0.00063495 0.00025772 -0.00007811
0.00613213 -0.00975106 0.00119146
10.59491199 -7.36373421 -0.70073123
-0.00045798 0.00073767 0.00005640
-0.00866636 0.01593815 -0.00719582
8.41321027 -7.41885395 -2.63377215
-0.00005291 -0.00044835 0.00080294
0.00522782 0.00963672 0.00464784
-7.06369147 0.17530845 6.86074599
0.00010900 -0.00037715 0.00008790
-0.01581008 0.00737327 -0.01001225
-9.96571695 0.23303251 7.20806694
-0.00081704 0.00150871 -0.00038195
-0.02170218 -0.01269364 0.01675525
21.32829482 10.85485365 10.35542373
-0.00077157 0.00105336 0.00061432
0.00278165 -0.00317413 0.00052617
20.47562976 12.73811404 8.30190968
-0.00062712 -0.00035379 -0.00016282
0.00557817 -0.02846871 0.00117136
-1.04990819 -3.19234189 -26.45978244
0.00037147 0.00033689 0.00003832
0.02887782 -0.03917246 0.02352749
-3.55742418 -2.02203876 -26.50916962
0.00014612 0.00020472 0.00094425
0.00644663 0.00175827 -0.01175645
-13.66066434 7.20068948 9.31224688
0.00076431 -0.00053882 0.00064470
0.00253961 -0.00595200 0.00655567
-15.41614696 7.36125860 7.19941935
0.00010076 0.00023472 0.00007302
0.00503497 -0.00732663 -0.00120745
-11.28105463 7.92013032 -2.42833221
-0.00038727 0.00017971 0.00088995
-0.00743556 -0.01186856 0.00569671
-8.76577275 8.19312001 -3.54882637
-0.00097778 -0.00045361 0.00044564
0.01278792 0.00012986 -0.00205423
-1.09524272 -16.91205303 22.74283728
-0.00021877 0.00014848 -0.00077945
0.00131652 0.02495917 0.00721608
-3.62286553 -15.69399349 23.61233612
0.00116976 0.00016137 -0.00039098
0.04769263 0.02069257 -0.00200069
-2.68648532 6.39982295 -7.99636839
-0.00077040 -0.00018513 -0.00002123
0.00703965 -0.00758610 0.01466071
-4.51580290 6.66645094 -5.82734295
-0.00089353 -0.00032246 0.00087231
0.01814225 0.00129350 0.00598507
-21.65797429 29.73193992 3.08692714
-0.00040704 0.00050445 0.00060441
0.00796634 0.00663059 0.00325844
-21.22688563 30.94265691 5.64499660
-0.00018145 -0.00042756 -0.00124315
-0.00117795 0.00584004 0.00093402
6.83291722 0.11518973 5.92760933
0.00036508 -0.00020757 0.00033552
0.01889033 -0.01713841 0.01646676
7.26700709 2.19779316 7.70865386
-0.00044664 0.00036357 0.00031464
0.00992918 -0.00804275 0.01548159
7.10016561 12.80084397 -13.22371655
-0.00046585 -0.00030258 0.00133626
-0.01526463 -0.01553012 -0.01202926
4.81929829 11.79554838 -14.83476611
0.00057478 0.00030000 -0.00030556
-0.04078402 0.01959606 -0.06196779
14.27448642 3.83864983 -2.46582336
-0.00009367 0.00028346 0.00113460
-0.00314551 0.00236594 -0.00289305
14.85813916 1.13903109 -1.71369245
-0.00035070 -0.00030985 0.00090988
-0.01215374 -0.02547970 0.00367229
-2.82641521 12.58083647 -0.23879324
-0.00046712 -0.00108780 0.00077079
0.00392167 -0.00076780 -0.00202699
-5.51270054 12.99804495 0.67101613
0.00028204 -0.00025971 0.00016334
-0.01290304 -0.00345832 0.00939878
3.30841561 11.37398202 2.93302999
0.00057842 0.00143273 -0.00137487
-0.00004485 -0.00270232 -0.00017033
6.27613038 11.32459851 3.03116039
-0.00068444 -0.00012428 0.00017454
-0.01674018 0.02533959 -0.00640259
25.25290942 -12.50432402 -8.37355615
-0.00035807 -0.00010645 -0.00044848
-0.00179902 0.00130042 -0.01005604
26.60547014 -11.58973680 -11.01200067
-0.00130631 0.00071846 -0.00035222
-0.00541837 0.00119538 -0.00666173
15.37119487 -3.13820333 0.31557036
0.00163204 0.00115550 0.00057680
-0.01649211 0.00249652 0.00611644
16.95786354 -5.34339683 -0.63468646
-0.00006438 0.00014681 -0.00042073
0.00480112 -0.03794927 -0.00006363
12.10811962 7.85557391 11.69071430
0.00006151 0.00051788 -0.00117888
0.01308142 0.01200942 -0.01298464
13.40150618 9.69055689 9.64131330
-0.00027465 -0.00024153 -0.00023800
0.00255365 0.00100337 0.00253249
-0.12137616 -14.62695038 17.44149671
-0.00018323 0.00024307 0.00028465
0.01916742 -0.00108200 -0.00733497
1.49656698 -12.60238746 18.57986663
0.00019194 -0.00072575 0.00041947
0.00791545 0.02084054 0.01341171
-4.00144113 -1.99552830 -12.90304791
0.00011819 0.00014826 0.00109698
0.00635962 -0.00535181 -0.00004668
-3.13634913 -1.50490730 -15.72004152
0.00036294 -0.00049105 0.00173948
0.00388463 -0.00038728 0.00518840
14.79062348 -8.18957847 -10.51783872
0.00015792 0.00064826 0.00057375
-0.00257454 -0.00147947 -0.01822000
16.29866763 -6.13270593 -8.94091855
-0.00083296 -0.00102706 0.00032152
-0.00011980 -0.00573743 -0.01300616
6.96971820 -6.00345389 8.37138534
0.00027502 0.00084451 -0.00045060
-0.01305478 0.00913617 0.01043212
9.63851377 -6.53068877 7.76308960
0.00067656 0.00042895 -0.00013240
0.01355120 -0.00175097 -0.00553224
-21.69419723 1.99900209 21.03582162
0.00088217 0.00013259 -0.00056406
0.02052959 0.00888509 0.02458379
-22.38987906 1.50962044 23.79891753
0.00007172 0.00010330 -0.00008134
-0.00932830 -0.01560034 0.01456176
26.76833166 -2.96755953 -6.70127784
0.00028872 0.00004731 -0.00009056
0.00068508 0.00389750 -0.00279983
25.28527417 -1.45287890 -8.84627324
0.00022362 0.00011654 -0.00041624
0.00899629 -0.01321102 0.00851663
9.96047068 -15.70222705 -7.82467294
0.00054919 -0.00063143 -0.00027572
-0.00756946 0.01625079 -0.00021191
9.40821448 -12.89033917 -6.93851549
0.00015271 0.00040396 -0.00063795
-0.00503326 -0.00299900 -0.00439970
-5.94076993 -11.33862791 18.22215330
0.00062161 0.00061474 0.00039327
0.00706171 0.00777482 0.00959043
-6.90158966 -11.33244764 15.50595883
0.00049672 0.00050332 0.00018995
-0.00107512 0.00032023 0.00064373
8.36843572 1.33987174 -29.52203449
0.00067676 -0.00066255 -0.00035419
0.01298717 0.00696118 0.00613216
5.99976540 2.71514332 -30.05375815
0.00016611 -0.00107527 -0.00035369
0.01465731 0.01244881 0.00652900
12.75297876 14.95848386 14.48144469
-0.00058773 -0.00033299 -0.00004091
-0.02132230 0.02306050 0.02240640
11.23374187 15.99556417 17.08766226
0.00032055 0.00052866 0.00000755
0.01314821 0.01302840 0.05328611
29.31711369 4.94948223 -4.64791539
-0.00002545 0.00027078 -0.00064759
-0.01264545 0.00768497 0.00089987
26.97721811 6.79984108 -3.79230163
0.00057790 0.00060569 0.00030612
0.01170489 -0.00945844 -0.00504224
-9.95005734 4.93044866 6.54638123
-0.00002022 0.00021383 -0.00021983
0.00047895 0.00937270 0.00184836
-8.79296292 13.35778106 2.59575432
-0.00012778 0.00004946 0.00001278
-0.00387415 -0.00432856 0.00533120
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09558463
0.30867113
411.28880016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4030993816 (a.u.)
total exchange computation time: 2.7118170261 s
-154.3489934447
-931.40765496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.4024768440 (a.u.)
total exchange computation time: 2.7111189365 s
-154.3550241922
Anderson extrapolation: theta=1.3600218482 (1.3600218482)
-931.40788479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.4015493775 (a.u.)
total exchange computation time: 2.7107329369 s
-154.3639853866
Anderson extrapolation: theta=0.0564465076 (0.0564465076)
-931.40802514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4014370016 (a.u.)
total exchange computation time: 2.7133371830 s
-154.3651137749
Anderson extrapolation: theta=2.0245099738 (2.0000000000)
-931.40803116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.4012051422 (a.u.)
total exchange computation time: 2.7110798359 s
-154.3674497598
Anderson extrapolation: theta=0.2501345499 (0.2501345499)
-931.40803802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.4011556586 (a.u.)
total exchange computation time: 2.7116398811 s
-154.3679635596
Anderson extrapolation: theta=1.7601467181 (1.7601467181)
-931.40803949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.4010969193 (a.u.)
total exchange computation time: 2.7121391296 s
-154.3686021711
Anderson extrapolation: theta=0.3088456308 (0.3088456308)
-931.40804123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.4011052424 (a.u.)
total exchange computation time: 2.7124049664 s
-154.3685512370
Anderson extrapolation: theta=1.2448931532 (1.2448931532)
-931.40804169
-117.488376 68.328227 97.266034
559.007055 1031.516025 -409.955056
441.518679 1099.844253 -312.689023
1225.712262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4011332044 (a.u.)
total exchange computation time: 2.7125918865 s
679.32669089
-1084.61467677
89.83177243
-388.60499561
-174.94569977
78.79593578
551.60419304
0.00000000
-931.40804203
4.06788673 -31.27285440 -2.21337121
0.00003022 -0.00046000 0.00003328
0.00657068 0.00237034 -0.00117032
-11.50703043 -1.53272172 -9.31581336
-0.00014911 0.00021265 -0.00011094
-0.00293192 0.00895445 0.00099026
-37.52365553 2.41122178 0.22772776
-0.00000542 -0.00011902 0.00012417
-0.00605986 -0.01426715 0.01769288
-11.71958858 -4.20816251 3.98423600
-0.00014954 -0.00003511 0.00020986
-0.03960542 0.02245434 0.01983792
4.09985770 -4.02984638 8.94800345
-0.00022459 -0.00017396 -0.00036626
-0.00480965 -0.04592511 -0.00441903
-32.54163190 -0.31189930 -0.11786319
-0.00066296 0.00009482 0.00048387
0.00292630 -0.03976241 -0.01229709
14.32893980 12.47778644 -13.58231114
-0.00033535 -0.00007094 0.00021316
-0.00657443 0.01903547 -0.05147632
-7.74177019 6.07417699 2.67676627
-0.00007155 0.00012307 0.00016342
-0.00066726 0.00749957 -0.00855824
7.34393849 12.28725965 -6.05073588
-0.00034432 -0.00035991 -0.00026055
0.00837491 -0.00892326 0.01432472
8.81611723 9.93941223 -19.05674761
-0.00005485 0.00002130 -0.00013308
-0.01027253 -0.01061526 0.01018998
23.16381670 17.33435723 -2.29687070
0.00003735 -0.00002193 -0.00025626
0.02066342 -0.01316837 -0.00853563
2.10126765 16.81568903 -19.63433107
-0.00009419 0.00008831 -0.00004428
-0.00905866 0.01573143 -0.03423712
13.97796131 -0.96795883 -5.78404182
0.00003358 0.00023775 -0.00020324
0.01987397 -0.00711925 -0.00410808
-16.05639046 -1.37047796 3.24338496
-0.00003118 -0.00009861 -0.00006801
0.02243362 0.00272207 0.00188844
-16.23999251 -2.17671034 18.81615986
0.00043010 -0.00029199 -0.00008695
-0.02782970 0.00749362 -0.02486101
0.49779557 2.10759628 -4.75168150
0.00000180 0.00005098 0.00025048
-0.04140484 -0.00202072 -0.00451119
22.75928484 -7.10105233 -8.81242441
-0.00008527 0.00010442 0.00003573
-0.02418757 0.00508298 -0.00093812
-0.76845613 -6.32283219 7.29552366
0.00002805 -0.00009023 0.00005820
0.01437193 -0.00987540 -0.01805672
-1.75672196 -1.37298312 -19.33753293
0.00001168 -0.00010920 -0.00001492
0.02125007 -0.02630086 -0.00580962
3.17511908 1.72246932 -9.28806681
-0.00012988 -0.00024676 0.00010858
-0.01402616 -0.01488289 0.03876972
-3.69856190 17.71244903 12.31634186
0.00041349 -0.00011312 0.00000578
-0.02836560 0.02647764 0.00771799
-3.81317839 5.08881130 -11.15895499
-0.00023419 0.00013677 -0.00030065
-0.05964154 -0.00336838 -0.02385715
-7.90976858 2.75798868 -8.90338877
0.00012489 -0.00009117 0.00004975
0.02956773 0.02215606 -0.02068193
2.44466471 27.49785060 8.82653797
0.00007985 0.00012229 0.00039098
-0.00720643 0.00611354 0.00184954
9.54215068 -6.23519902 -1.77255580
-0.00030542 -0.00007804 0.00010637
0.00104317 -0.01946390 0.00550389
-8.70076857 0.78553944 6.09459193
0.00010323 -0.00018384 0.00030850
0.04107774 -0.00155899 -0.00623538
20.45173234 10.86804993 8.75360808
0.00018277 0.00018627 -0.00017193
-0.00342303 0.02870014 -0.00489469
-2.00198446 -2.18631848 -27.53938410
0.00023363 -0.00009285 -0.00035471
-0.05481505 0.03218938 -0.00555917
-14.25009342 6.14145794 7.94983326
0.00015910 0.00002976 0.00030467
-0.00130549 0.01366325 -0.00530605
-9.60127344 7.23861447 -2.19931640
-0.00010940 -0.00007820 0.00043772
-0.01790432 0.00555551 0.00099324
-1.75659733 -15.20310073 23.28553550
-0.00008930 0.00034275 -0.00039484
-0.04416846 -0.04698818 -0.00879297
-2.70491213 6.31963447 -6.12736685
0.00001400 -0.00006885 0.00014987
-0.03221255 -0.00064141 -0.01700286
-20.28067784 30.42241731 4.17093695
-0.00035678 -0.00072814 0.00006777
-0.00146384 -0.00240470 -0.00198554
7.72266394 0.40315540 7.58581692
0.00007361 0.00043643 -0.00032858
-0.01937765 0.02886958 -0.01806007
5.74542281 11.40715317 -13.45766267
0.00012242 -0.00046073 0.00020322
0.05584093 -0.02316426 0.05415407
15.56184614 2.76087738 -1.74561916
0.00015366 0.00017007 0.00019000
0.01920395 0.02851903 0.00517657
-4.44980923 13.18244281 -0.78680783
-0.00009780 -0.00030971 -0.00003490
0.01485324 0.00014262 -0.01453549
4.74950058 12.49965954 2.68142637
0.00004973 0.00005232 -0.00045412
0.02333104 -0.01115009 0.01015752
25.09099455 -11.51057456 -9.92362297
0.00012447 0.00003835 0.00007140
-0.01830286 -0.00626298 0.03265246
16.76863628 -3.58111611 -0.71835725
0.00021600 0.00025336 -0.00010986
0.01661009 0.03630335 -0.00945138
13.29796570 7.94295234 10.22748373
0.00041180 -0.00025145 0.00024669
-0.00188726 -0.02234788 -0.00008534
1.68266168 -14.05434065 17.55419255
0.00026300 -0.00000388 -0.00012446
-0.01892625 -0.01409163 -0.00861675
-3.76069363 -0.71489156 -14.19091508
0.00037415 0.00006920 -0.00012176
-0.01911847 0.00850353 0.00935808
15.01100086 -7.50854832 -8.86264203
-0.00001497 0.00012188 0.00000478
-0.00214560 -0.02057802 0.02374620
8.36625092 -7.04953684 8.94306275
-0.00006245 0.00000454 0.00022709
0.01282560 0.02159322 -0.00575887
-21.10053165 2.32479439 22.83571984
0.00002057 0.00011271 0.00015504
-0.00633390 0.00823552 -0.04539003
25.70273982 -3.16870064 -8.18482298
0.00004327 0.00022817 -0.00018177
-0.00115071 0.01289813 0.00052453
9.89772656 -13.92083487 -8.38101165
0.00004922 0.00010980 -0.00031773
0.00305681 -0.02710650 0.00544309
-6.72678312 -12.40246563 16.98085215
0.00000848 0.00008616 -0.00007805
0.00251706 0.00646664 -0.00682328
7.71780750 3.04699257 -29.31094897
-0.00058113 -0.00032535 0.00001707
-0.01764435 -0.02692971 -0.01666296
11.04193051 15.60794115 15.41312972
0.00022541 0.00032342 -0.00000424
-0.00683192 -0.02553823 -0.07005208
28.73795476 6.27562035 -3.46294737
0.00005864 0.00025371 -0.00013026
0.00485585 0.00151064 0.01082393
5.34734915 -31.82864402 -3.46208503
-0.00007506 -0.00075829 0.00022293
-0.00843118 0.00477714 0.00807330
4.79793770 -31.30843144 -0.47083302
0.00047258 -0.00054360 -0.00028127
-0.01072761 -0.00673604 -0.01288078
-12.04409477 -3.22866897 -9.13450291
-0.00028444 0.00019109 -0.00046549
-0.00637683 -0.02743415 0.00542471
-12.34969950 -0.94129252 -10.79287235
0.00030555 0.00121806 -0.00057431
-0.00345171 0.00819354 -0.01246633
-39.00759885 2.12356694 1.30784587
0.00008798 0.00057477 0.00038426
0.01399451 0.00547987 -0.01434677
-37.91595509 3.79458307 -0.86257612
-0.00017534 0.00076053 -0.00043715
-0.00484979 0.01881416 -0.01319474
-10.77545464 -5.52788241 3.29714287
0.00012546 -0.00009496 -0.00067753
0.02580966 -0.03054054 -0.01554527
-10.72642174 -2.71411959 3.93623049
0.00060633 -0.00002963 0.00066453
0.01244454 0.01209260 0.00152610
4.33175905 -2.39069564 8.38056466
-0.00053045 0.00043154 -0.00011064
0.00747113 0.04021399 -0.01346817
3.79594303 -3.91284258 10.73030571
-0.00074443 -0.00079271 -0.00063826
0.00386164 -0.00000943 0.01210666
-34.08962085 -1.27180080 0.03693541
-0.00069538 0.00061007 0.00047141
0.00435461 -0.00144704 -0.00539962
-32.99510396 1.17129166 0.70952771
-0.00024377 0.00049998 -0.00099110
-0.00850659 0.03702926 0.01573723
13.61956183 12.84813258 -15.39308366
-0.00038306 0.00033575 0.00112369
0.02060250 -0.00757309 0.04340468
16.15837424 12.53405484 -13.83978016
0.00091746 0.00040697 -0.00129334
-0.00714499 -0.00607720 -0.00021910
-8.42271670 7.54466343 1.77162438
0.00050862 0.00077476 0.00030059
0.00716329 -0.01323203 0.00312295
-7.33485561 4.89335608 1.30457303
0.00044588 -0.00115641 -0.00065909
-0.00468841 0.00149749 0.00545883
6.21398506 12.43297657 -7.42567739
0.00033916 0.00013708 -0.00077061
-0.01752183 -0.00169459 -0.01607623
8.75709844 13.37512327 -6.54806835
0.00014535 -0.00002672 0.00038544
0.01382193 0.01559425 0.00008803
8.56039304 8.51983061 -20.14899033
0.00052649 -0.00088236 -0.00000677
0.00608656 -0.00405227 -0.00629922
10.38414880 10.80841097 -19.42148177
0.00112579 -0.00087959 0.00049164
0.00726583 0.00335262 -0.00498704
24.14524004 15.75625772 -2.78679666
-0.00009783 0.00037297 0.00009664
-0.00982928 0.01320856 0.00717710
24.32123518 18.67756747 -2.79745091
-0.00122893 0.00080100 -0.00087100
0.00512763 -0.00573516 0.00308902
1.68079345 17.01560841 -21.56011850
-0.00074994 0.00025238 -0.00033333
0.00810682 -0.00982749 0.03730366
3.55793823 15.68975135 -19.51372918
0.00048450 -0.00045335 0.00053687
-0.00540556 -0.00340764 0.00043178
12.75756638 -1.54467810 -7.06023458
0.00094271 -0.00096097 -0.00005902
-0.00081532 0.00628511 0.01203501
13.31338527 -0.91066576 -4.11003135
-0.00107344 -0.00029678 -0.00004285
-0.01453313 -0.00581271 0.00145751
-17.63678289 -1.96059887 2.75767358
-0.00074585 0.00051604 0.00101485
-0.04391682 -0.01277883 -0.00570615
-14.98789523 -2.76115514 2.74226053
-0.00038985 -0.00021390 -0.00022249
0.01302349 -0.00191846 0.01082367
-16.66805565 -0.73245567 19.80965697
0.00061915 -0.00003638 -0.00120033
0.00489992 0.01656161 0.00781711
-15.12530523 -3.14086801 19.78628948
0.00071697 0.00002142 0.00015208
0.02362228 -0.02157007 0.01697291
-0.45631547 0.48367237 -4.93250621
0.00061734 0.00038690 -0.00024009
0.01156594 -0.00277933 -0.00054808
-1.06413858 3.15933866 -4.99661763
-0.00022343 0.00000574 -0.00025942
0.02634395 0.00603518 0.00013678
23.48533347 -8.73302685 -9.20507125
0.00112078 -0.00020267 -0.00035977
0.01570995 -0.00061890 0.00081414
23.95933913 -5.77345107 -8.38219916
0.00021492 0.00003794 0.00066353
0.00453570 -0.00599020 -0.00219273
-0.02454793 -6.30682969 5.57375157
-0.00116410 -0.00001149 -0.00055292
-0.01171359 0.00332611 0.01118735
0.78755284 -6.43563199 8.26339163
0.00028756 -0.00001104 -0.00004271
-0.00383100 0.00926312 0.00510842
-0.31232468 -2.61156253 -19.55713101
0.00042497 0.00086947 -0.00004197
-0.02765362 0.02218858 0.00973585
-3.06453846 -2.03854628 -20.45643967
-0.00083265 -0.00020708 -0.00006014
0.00266591 -0.00053551 -0.00146131
2.83156893 3.10806604 -10.40309921
0.00043885 0.00021784 0.00093684
-0.00860305 0.00782846 -0.01266557
1.95214762 1.71342021 -7.78453534
-0.00018050 -0.00060682 -0.00027722
0.01866986 0.01779400 -0.02352654
-2.21655110 16.69056968 12.28966550
-0.00076356 0.00027669 0.00014681
0.02583176 -0.01557280 0.00470295
-3.71654565 18.49361057 13.99837809
0.00032862 -0.00004541 0.00044486
0.01362001 0.00316027 -0.01005673
-5.53792641 5.98915876 -11.07266817
0.00054134 -0.00032835 0.00009242
0.03687547 -0.00250141 -0.00610930
-4.33667539 3.71894013 -12.36492221
0.00055187 0.00058154 0.00065592
0.02478786 0.01653728 0.01528710
-7.70446425 1.56781435 -7.50460478
-0.00024519 -0.00142182 -0.00014046
0.00220398 0.00034811 -0.00180920
-6.17687885 3.28480568 -9.52580990
-0.00022927 -0.00052407 0.00039119
-0.03484359 -0.01842618 0.02482850
3.02827946 27.82746086 7.12209484
0.00052121 -0.00087491 -0.00064444
-0.00422910 -0.00224932 0.00249089
1.17100302 28.79471362 9.09908115
0.00065652 0.00022184 -0.00007315
0.00442681 -0.00781390 0.00123495
10.58777669 -7.35218083 -0.70010575
-0.00048843 0.00079792 0.00003191
-0.00623983 0.01355883 -0.00479188
8.41257687 -7.42528396 -2.62158556
-0.00003427 -0.00041067 0.00081973
0.00389529 0.00881122 0.00356915
-7.06254099 0.16987709 6.86175774
0.00004321 -0.00034756 0.00004879
-0.01639240 0.00711310 -0.00913190
-9.97863757 0.25527424 7.20285105
-0.00090743 0.00145484 -0.00031000
-0.02254373 -0.01367548 0.01846942
21.31680650 10.87055681 10.36465461
-0.00076214 0.00103989 0.00061286
0.00183692 -0.00342260 -0.00124072
20.46639387 12.73193476 8.29950321
-0.00060355 -0.00046409 -0.00015942
0.00595960 -0.02552272 0.00049574
-1.04345120 -3.18848889 -26.45848671
0.00048752 0.00017848 0.00013190
0.02792826 -0.03837114 0.02227914
-3.55503483 -2.01891401 -26.49536608
0.00018061 0.00021103 0.00088983
0.01043518 0.00132997 -0.01488463
-13.64912194 7.19242485 9.32211834
0.00077243 -0.00056337 0.00066909
0.00143972 -0.00606855 0.00538083
-15.41448132 7.36455484 7.20047761
0.00012440 0.00020315 0.00007127
0.00653625 -0.00812463 0.00035338
-11.28709145 7.92246235 -2.41480838
-0.00041354 0.00012926 0.00091391
-0.00542846 -0.01282984 0.00603178
-8.78004761 8.18631977 -3.54220470
-0.00092135 -0.00044916 0.00043165
0.01483736 0.00205289 -0.00479609
-1.09848394 -16.90906107 22.73136659
-0.00021265 0.00025275 -0.00074893
0.00167910 0.02608591 0.00772808
-3.60385767 -15.69093880 23.60641012
0.00135187 0.00024408 -0.00039714
0.04145252 0.01979304 -0.00101737
-2.69782553 6.39681348 -7.99623757
-0.00074147 -0.00021601 0.00004022
0.00711904 -0.00752637 0.01541684
-4.52864999 6.66165373 -5.81407493
-0.00080764 -0.00031888 0.00089393
0.02390458 0.00045717 0.00460127
-21.66383584 29.73970980 3.09609307
-0.00037873 0.00052672 0.00061075
0.00589277 0.00427083 -0.00015519
-21.22964346 30.93642249 5.62637795
-0.00019264 -0.00039865 -0.00122470
-0.00430224 0.00830947 0.00809978
6.83897222 0.11155100 5.93314679
0.00043891 -0.00027713 0.00039626
0.01725187 -0.01690980 0.01326424
7.26061180 2.20300022 7.71384788
-0.00040594 0.00032913 0.00037636
0.00999413 -0.00881510 0.01472813
7.09271015 12.79582932 -13.20404130
-0.00052704 -0.00036524 0.00128594
-0.01468993 -0.01513811 -0.01260291
4.82667023 11.80064890 -14.84124845
0.00041520 0.00037841 -0.00054963
-0.03733145 0.01878258 -0.05750288
14.27298491 3.84297429 -2.44889298
-0.00010823 0.00029405 0.00112140
-0.00397916 0.00281776 -0.00356760
14.85250628 1.13360258 -1.69993175
-0.00039557 -0.00040164 0.00092451
-0.00981346 -0.01945371 0.00348933
-2.83330190 12.56449594 -0.22729357
-0.00045242 -0.00108980 0.00076008
0.00327488 -0.00021154 -0.00321320
-5.50886529 12.99404339 0.67375431
0.00022698 -0.00027317 0.00020172
-0.01404938 -0.00313017 0.00938383
3.31709050 11.39539013 2.91240175
0.00056238 0.00141047 -0.00137296
-0.00780515 -0.00819516 0.00110594
6.26535083 11.32351083 3.03358230
-0.00074920 -0.00002228 0.00014817
-0.01496284 0.02458822 -0.00650802
25.24748330 -12.50588091 -8.38059142
-0.00036333 -0.00010410 -0.00048525
-0.00077545 -0.00014978 -0.00794504
26.58570945 -11.57892331 -11.01748816
-0.00131731 0.00072097 -0.00038506
0.00003161 0.00003229 -0.00940956
15.39517004 -3.12079440 0.32440985
0.00155843 0.00116645 0.00060661
-0.01953688 0.00286535 0.00847232
16.95704496 -5.34235758 -0.64099936
-0.00004593 -0.00000557 -0.00042032
0.00422960 -0.03664180 0.00026467
12.10944307 7.86371017 11.67263314
0.00010836 0.00056443 -0.00122207
0.00985260 0.01077444 -0.00815351
13.39746467 9.68696468 9.63782097
-0.00026305 -0.00023922 -0.00022793
0.00312756 0.00012694 0.00239288
-0.12353719 -14.62333751 17.44554165
-0.00010156 0.00023871 0.00025381
0.02080696 -0.00105039 -0.00775919
1.49968866 -12.61263511 18.58656962
0.00022468 -0.00063687 0.00047676
0.00811071 0.02266956 0.01463225
-3.99947342 -1.99346834 -12.88659469
0.00014578 0.00013532 0.00108832
0.00714781 -0.00098452 -0.00418890
-3.13078607 -1.51228487 -15.69379030
0.00038588 -0.00050119 0.00174315
0.00734656 -0.00457921 -0.00339266
14.79291333 -8.17989994 -10.50979083
0.00014621 0.00063706 0.00048814
-0.00315514 -0.00400304 -0.02368385
16.28616961 -6.14828758 -8.93649431
-0.00082351 -0.00103880 0.00026933
0.00474440 -0.00001255 -0.01254134
6.97344343 -5.99050624 8.36494598
0.00022599 0.00087721 -0.00040554
-0.01094577 0.00687081 0.01162802
9.64907743 -6.52430812 7.76093402
0.00072186 0.00041715 -0.00014554
0.00862126 -0.00402595 -0.00090003
-21.68033558 2.00126320 21.02811398
0.00096561 0.00016913 -0.00045937
0.02031354 0.00900297 0.02666275
-22.38908912 1.51069193 23.79814363
0.00003166 0.00003858 -0.00002186
-0.01028307 -0.01608202 0.01455226
26.77268338 -2.96673052 -6.70272200
0.00028987 0.00006327 -0.00010445
-0.00011901 0.00391747 -0.00399840
25.28890417 -1.45153570 -8.85225588
0.00026041 0.00006317 -0.00038153
0.00901170 -0.01291405 0.00847305
9.96847658 -15.71120060 -7.82881524
0.00051777 -0.00055500 -0.00027864
-0.00781089 0.02116501 -0.00121899
9.41035091 -12.88437165 -6.94821954
0.00013136 0.00039146 -0.00065394
-0.00541773 -0.00312047 -0.00342832
-5.93122935 -11.32916862 18.22834623
0.00064396 0.00063732 0.00042318
0.00387758 0.00327984 0.00505086
-6.89417188 -11.32488808 15.50882778
0.00049207 0.00050414 0.00019178
-0.00119659 0.00008387 0.00025301
8.37898511 1.33014686 -29.52715939
0.00072542 -0.00062350 -0.00032768
0.01083094 0.01215437 0.00684298
6.00270617 2.69939574 -30.05886347
0.00022122 -0.00102465 -0.00032808
0.01231883 0.01233215 0.00600998
12.74350950 14.95419560 14.48151760
-0.00067359 -0.00023810 0.00005145
-0.02071024 0.02339270 0.02280383
11.23895304 16.00389335 17.08940832
0.00037410 0.00058068 0.00022182
0.01306524 0.01243472 0.05160098
29.31634444 4.95377943 -4.65760162
-0.00007841 0.00030439 -0.00064171
-0.01327804 0.00876924 0.00197883
26.98624534 6.80863655 -3.78786429
0.00061949 0.00056844 0.00028382
0.00865012 -0.00877171 -0.00587495
-9.95035931 4.93368131 6.54308881
-0.00002002 0.00021716 -0.00021918
0.00064314 0.00921695 0.00174535
-8.79488635 13.35851549 2.59595532
-0.00012866 0.00004846 0.00001400
-0.00369408 -0.00435078 0.00519390
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09526325
0.31277879
416.76205063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.4015181363 (a.u.)
total exchange computation time: 2.6089692116 s
-154.3331146340
-931.41158201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4009314523 (a.u.)
total exchange computation time: 2.6080708504 s
-154.3386800975
Anderson extrapolation: theta=1.3636697608 (1.3636697608)
-931.41180347
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4000163124 (a.u.)
total exchange computation time: 2.6079468727 s
-154.3471930165
Anderson extrapolation: theta=0.0572678175 (0.0572678175)
-931.41193824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3998739369 (a.u.)
total exchange computation time: 2.6067609787 s
-154.3484462504
Anderson extrapolation: theta=2.0175645294 (2.0000000000)
-931.41194371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3995635902 (a.u.)
total exchange computation time: 2.6060671806 s
-154.3511239538
Anderson extrapolation: theta=0.2392701418 (0.2392701418)
-931.41194940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3994835782 (a.u.)
total exchange computation time: 2.6086010933 s
-154.3517692302
Anderson extrapolation: theta=1.7336289977 (1.7336289977)
-931.41195042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3993666010 (a.u.)
total exchange computation time: 2.6053020954 s
-154.3526662882
Anderson extrapolation: theta=0.2922511645 (0.2922511645)
-931.41195138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3993546958 (a.u.)
total exchange computation time: 2.6082029343 s
-154.3527131371
Anderson extrapolation: theta=1.2690245091 (1.2690245091)
-931.41195160
-117.529297 68.324178 97.294948
559.037700 1031.529348 -409.932150
441.508403 1099.853526 -312.637203
1225.703663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3993562811 (a.u.)
total exchange computation time: 2.6093690395 s
679.29405688
-1084.53891956
89.82975258
-388.65818078
-174.93930454
78.74993757
551.60419304
0.00000000
-931.41195171
4.06836539 -31.27974521 -2.21287645
0.00003356 -0.00045876 0.00003271
0.00640425 0.00242170 -0.00107424
-11.50927838 -1.52949749 -9.31747370
-0.00015108 0.00021759 -0.00011120
-0.00472583 0.01027779 -0.00196880
-37.52376025 2.40938144 0.22965859
-0.00000889 -0.00012452 0.00013181
-0.00741155 -0.00712067 0.01200604
-11.72198453 -4.20860258 3.98746045
-0.00016850 -0.00002392 0.00021947
-0.03409386 0.02106035 0.01751604
4.09647024 -4.03263289 8.94249256
-0.00022675 -0.00019631 -0.00036942
-0.00359017 -0.04101217 -0.00788732
-32.55156501 -0.31063033 -0.11065264
-0.00066069 0.00007388 0.00047707
0.00589107 -0.04169990 -0.01413313
14.32388416 12.47679575 -13.57931233
-0.00033584 -0.00006110 0.00018695
0.00466770 0.01921960 -0.05043120
-7.74284601 6.07605191 2.67918448
-0.00007144 0.00012556 0.00015728
0.00108255 0.00218532 -0.01531170
7.33880593 12.28182656 -6.05458886
-0.00033937 -0.00036395 -0.00025348
0.01088398 -0.00679504 0.01315179
8.81525480 9.93969085 -19.05870454
-0.00005947 0.00001531 -0.00012879
-0.00768704 -0.01270749 0.00649442
23.16445660 17.33397750 -2.30074752
0.00004743 -0.00002812 -0.00026035
0.01855763 -0.01090657 -0.00737709
2.09981982 16.81707442 -19.63512732
-0.00009799 0.00009561 -0.00006192
-0.00569024 0.01264789 -0.03437034
13.97854170 -0.96442002 -5.78710631
0.00004360 0.00023418 -0.00020384
0.01909171 -0.00675736 0.00177451
-16.05677168 -1.37194663 3.24237216
-0.00002021 -0.00009720 -0.00006707
0.02024425 0.00277012 0.00174902
-16.23364837 -2.18106131 18.81475966
0.00041633 -0.00028916 -0.00010002
-0.02571843 0.00352741 -0.02593392
0.49766284 2.10835325 -4.74794174
-0.00001929 0.00005073 0.00024816
-0.04060025 0.00104722 -0.00451186
22.75791247 -7.09946635 -8.81189206
-0.00009644 0.00010593 0.00003507
-0.01924643 0.00077929 -0.00163802
-0.76798000 -6.32422371 7.29632704
0.00003543 -0.00009527 0.00004896
0.01432681 -0.00973406 -0.01788923
-1.75646484 -1.37472263 -19.33777916
0.00002137 -0.00012250 -0.00001845
0.01644917 -0.02540315 -0.00791083
3.17311673 1.71871052 -9.28628859
-0.00013687 -0.00025475 0.00012840
-0.01314535 -0.01620163 0.03831948
-3.69246903 17.71085434 12.31645840
0.00039697 -0.00009780 0.00001036
-0.03586870 0.03312294 0.01005967
-3.81692127 5.09084987 -11.16355682
-0.00026323 0.00013585 -0.00031167
-0.05328493 -0.00023033 -0.01896540
-7.90778111 2.75670656 -8.90272229
0.00013945 -0.00008077 0.00004022
0.02703337 0.01829314 -0.01639136
2.44583470 27.49970856 8.83240984
0.00007736 0.00012504 0.00039024
-0.00247321 0.00456361 -0.00474986
9.53757344 -6.23644471 -1.77093899
-0.00030518 -0.00008710 0.00010875
-0.00013589 -0.01575392 0.00375863
-8.69906161 0.78277589 6.09919544
0.00012427 -0.00018442 0.00030482
0.04073801 -0.00071939 -0.00808677
20.45446063 10.87095475 8.75101028
0.00018113 0.00020019 -0.00017373
-0.00292512 0.02543175 -0.00211107
-1.99869146 -2.18758712 -27.54472619
0.00020504 -0.00007676 -0.00035624
-0.05635440 0.03040905 -0.00039800
-14.24771197 6.14195704 7.95438281
0.00015838 0.00003695 0.00030194
-0.00149644 0.01431031 -0.00532017
-9.60298354 7.23746284 -2.19274670
-0.00011954 -0.00007555 0.00043877
-0.02153174 0.00477933 0.00307366
-1.75810715 -15.19814074 23.27957898
-0.00011023 0.00031882 -0.00039979
-0.03723185 -0.04604918 -0.01047313
-2.70482639 6.31859928 -6.12518444
-0.00000381 -0.00006904 0.00014136
-0.03706144 -0.00009491 -0.01605740
-20.28603517 30.41148600 4.17194582
-0.00035592 -0.00072956 0.00006574
0.00479471 -0.00312715 -0.00588695
7.72369332 0.40981319 7.58081855
0.00006420 0.00045138 -0.00033672
-0.01721219 0.02928037 -0.01360075
5.74747457 11.40015289 -13.45440549
0.00014955 -0.00047225 0.00022912
0.04964467 -0.02163176 0.04657804
15.56422516 2.76353837 -1.74274915
0.00016295 0.00018290 0.00019289
0.01691048 0.02139117 0.00604014
-4.45121887 13.17779775 -0.78738737
-0.00008980 -0.00030988 -0.00004199
0.01624850 -0.00082760 -0.01305483
4.75033659 12.50040137 2.67465381
0.00006328 0.00004829 -0.00044913
0.02936025 -0.00453908 0.00922230
25.09279098 -11.51002351 -9.92242604
0.00011346 0.00003584 0.00008841
-0.02450039 -0.00347052 0.03349626
16.77194036 -3.57717568 -0.72004165
0.00022525 0.00027122 -0.00011526
0.01937588 0.03315093 -0.01151754
13.30413545 7.93909437 10.23118380
0.00041165 -0.00026237 0.00024532
0.00129634 -0.02010300 -0.00526919
1.68653371 -14.05445315 17.55229244
0.00025286 -0.00001134 -0.00012899
-0.02052645 -0.01493479 -0.00899480
-3.75515520 -0.71382068 -14.19270540
0.00036318 0.00007361 -0.00011365
-0.02353185 0.00863512 0.02217981
15.01076804 -7.50679948 -8.86247869
-0.00001720 0.00011027 0.00001808
-0.00653511 -0.02458228 0.02795188
8.36536369 -7.04938551 8.94644695
-0.00005523 0.00001674 0.00022271
0.01522231 0.02586695 -0.01128622
-21.10024754 2.32651684 22.83787030
0.00001749 0.00011700 0.00013145
-0.00565391 0.00845452 -0.04633426
25.70338442 -3.16522840 -8.18754743
0.00004295 0.00023454 -0.00018111
-0.00007580 0.01187756 0.00203301
9.89847670 -13.91929247 -8.38575655
0.00005094 0.00009484 -0.00031499
0.00360019 -0.03105793 0.00521150
-6.72664620 -12.40114826 16.97965511
0.00001056 0.00009059 -0.00008025
0.00554861 0.01075202 -0.00174766
7.70902254 3.04200837 -29.31075723
-0.00058888 -0.00034032 0.00000858
-0.01250964 -0.03125805 -0.01632990
11.04528526 15.61269392 15.41279583
0.00022158 0.00031055 -0.00003902
-0.00806631 -0.02451111 -0.06519228
28.73885312 6.27943179 -3.46485945
0.00006214 0.00025393 -0.00012469
0.00875629 -0.00064957 0.01082012
5.34596486 -31.83987196 -3.45849371
-0.00010898 -0.00073905 0.00025379
-0.00817144 0.00464171 0.00703497
4.80469765 -31.31679182 -0.47544675
0.00042859 -0.00057036 -0.00033272
-0.01080529 -0.00636243 -0.01230633
-12.04855675 -3.22664329 -9.14131900
-0.00031090 0.00008110 -0.00044484
-0.00657834 -0.02640521 0.00468227
-12.34522202 -0.92277049 -10.80186906
0.00029539 0.00124697 -0.00061773
-0.00152173 0.00595675 -0.00878394
-39.00585036 2.13235639 1.31317013
0.00014409 0.00059633 0.00032618
0.01347515 0.00507402 -0.01408578
-37.91873373 3.80656753 -0.86953772
-0.00019109 0.00082394 -0.00048071
-0.00286266 0.01222606 -0.00812968
-10.77278185 -5.53024265 3.28650354
0.00022425 -0.00021127 -0.00073637
0.02254952 -0.02639595 -0.01325643
-10.71694548 -2.71419353 3.94624524
0.00065253 0.00001399 0.00067114
0.01017414 0.00925896 0.00170821
4.32403126 -2.38299027 8.37849239
-0.00050179 0.00058548 -0.00016140
0.00655642 0.03514124 -0.01137897
3.78489493 -3.92473348 10.72110283
-0.00072926 -0.00079214 -0.00058573
0.00356110 0.00028511 0.01360729
-34.09991809 -1.26269416 0.04384110
-0.00068091 0.00060247 0.00045029
0.00272755 -0.00227028 -0.00493942
-32.99902113 1.17992604 0.69514348
-0.00028075 0.00065744 -0.00092410
-0.00959892 0.04004696 0.01706056
13.61444724 12.85293673 -15.37489825
-0.00030241 0.00030562 0.00129462
0.01887556 -0.00717352 0.04026577
16.17191714 12.53997317 -13.85918695
0.00086838 0.00038104 -0.00128947
-0.01687975 -0.00661646 0.00211276
-8.41486785 7.55587931 1.77622899
0.00053921 0.00071695 0.00031356
0.00780842 -0.01506226 0.00322463
-7.32831109 4.87605578 1.29485397
0.00042214 -0.00113587 -0.00062283
-0.00693120 0.00855613 0.01229216
6.21853547 12.43498079 -7.43772916
0.00026816 0.00013013 -0.00083546
-0.01723001 -0.00170723 -0.01566973
8.75970223 13.37520027 -6.54228401
0.00019674 0.00003324 0.00038744
0.01133425 0.01375901 0.00088972
8.56847692 8.50647099 -20.14928496
0.00055208 -0.00089176 -0.00002649
0.00643865 -0.00054752 -0.00335046
10.40125829 10.79531984 -19.41425993
0.00114909 -0.00086844 0.00047305
0.00414209 0.00210480 -0.00411305
24.14347141 15.76225702 -2.78512717
-0.00013475 0.00042364 0.00012379
-0.00824515 0.01159507 0.00611421
24.30295834 18.68940677 -2.81042133
-0.00120651 0.00077608 -0.00085784
0.00584718 -0.00646352 0.00335691
1.66979273 17.01909294 -21.56397533
-0.00071408 0.00021123 -0.00017836
0.00944677 -0.01031583 0.03855478
3.56504003 15.68284662 -19.50566286
0.00045300 -0.00045976 0.00053598
-0.01001155 0.00027409 -0.00086891
12.77168203 -1.55889999 -7.06075107
0.00093638 -0.00093676 -0.00001337
-0.00228373 0.00556489 0.01031252
13.29683835 -0.91529554 -4.11062939
-0.00112844 -0.00032026 -0.00004511
-0.01239104 -0.00567961 -0.00256747
-17.64931635 -1.95324988 2.77272154
-0.00091983 0.00046469 0.00099275
-0.04124643 -0.01235493 -0.00511171
-14.99334389 -2.76442246 2.73925480
-0.00033748 -0.00022279 -0.00017902
0.01261111 -0.00243001 0.01045561
-16.65861830 -0.73249386 19.79189160
0.00063767 0.00003658 -0.00116419
0.00416618 0.01915248 0.00987481
-15.11382678 -3.14120769 19.78909080
0.00081024 -0.00006378 0.00021927
0.02203301 -0.02013718 0.01591581
-0.44670099 0.48939069 -4.93612436
0.00066131 0.00037044 -0.00024237
0.00995960 -0.00527605 -0.00056802
-1.06668275 3.15960977 -5.00050475
-0.00011431 0.00002958 -0.00025808
0.02707193 0.00563285 0.00051781
23.50262660 -8.73608586 -9.21044278
0.00117902 -0.00019512 -0.00035361
0.01279811 0.00431540 0.00219807
23.96270186 -5.77306555 -8.37231343
0.00022975 0.00001125 0.00065322
0.00272457 -0.00707517 -0.00285436
-0.04236830 -6.30690017 5.56580052
-0.00121021 0.00000215 -0.00050485
-0.01086163 0.00335260 0.01234718
0.79174883 -6.43551376 8.26290745
0.00027005 0.00002679 -0.00002494
-0.00473898 0.00925351 0.00359044
-0.30679748 -2.59784063 -19.55746216
0.00031363 0.00095597 -0.00000363
-0.02684973 0.02015815 0.00902752
-3.07694649 -2.04166894 -20.45738649
-0.00081293 -0.00020698 -0.00006065
0.00698596 0.00058461 0.00120916
2.83788806 3.11157358 -10.38943466
0.00040290 0.00025263 0.00088269
-0.00899269 0.00920148 -0.01384480
1.95001215 1.70486312 -7.78941460
-0.00010540 -0.00053380 -0.00037104
0.01809244 0.01794929 -0.02240048
-2.22721295 16.69424279 12.29201180
-0.00064254 0.00020266 0.00016509
0.03340676 -0.02066266 0.00424217
-3.71119902 18.49302620 14.00474277
0.00038397 -0.00003532 0.00039863
0.01347402 0.00177825 -0.01257127
-5.52867637 5.98415680 -11.07146911
0.00068382 -0.00033471 0.00006761
0.03286828 -0.00060976 -0.00603508
-4.32763777 3.72816996 -12.35461491
0.00064870 0.00063872 0.00070889
0.02261311 0.01145420 0.01064101
-7.70807463 1.54649778 -7.50676711
-0.00023720 -0.00141393 -0.00015400
0.00170739 0.00351390 -0.00481995
-6.18138563 3.27637994 -9.51918116
-0.00036565 -0.00059721 0.00048994
-0.03191512 -0.01737575 0.02350971
3.03596800 27.81426831 7.11250454
0.00049841 -0.00088547 -0.00062094
-0.00693296 -0.00292197 0.00901413
1.18098644 28.79780176 9.09802173
0.00067036 0.00019471 -0.00006796
0.00234994 -0.00546534 0.00130709
10.58025897 -7.33979648 -0.69977394
-0.00050831 0.00084780 0.00001795
-0.00349157 0.01085587 -0.00203993
8.41218219 -7.43117397 -2.60918023
-0.00002139 -0.00037686 0.00083190
0.00241162 0.00773538 0.00238616
-7.06239515 0.16488167 6.86220983
-0.00002401 -0.00031937 0.00001377
-0.01651158 0.00668810 -0.00801379
-9.99293981 0.27667784 7.19876708
-0.00099884 0.00139804 -0.00023317
-0.02220422 -0.01413204 0.01913478
21.30543075 10.88605021 10.37380945
-0.00075639 0.00102530 0.00060422
0.00097668 -0.00371611 -0.00298737
20.45752322 12.72419130 8.29712712
-0.00057845 -0.00056096 -0.00015917
0.00632837 -0.02189370 -0.00037619
-1.03528260 -3.18698752 -26.45582558
0.00059706 0.00002586 0.00021765
0.02569000 -0.03633691 0.01969872
-3.55200594 -2.01570776 -26.48247477
0.00023016 0.00021565 0.00082340
0.01382134 0.00092926 -0.01763268
-13.63749130 7.18378831 9.33231958
0.00077600 -0.00058841 0.00068855
0.00030507 -0.00618838 0.00414525
-15.41241511 7.36735314 7.20155752
0.00015374 0.00016879 0.00007563
0.00782971 -0.00869371 0.00178117
-11.29346097 7.92400808 -2.40091487
-0.00043167 0.00007504 0.00093906
-0.00344537 -0.01371120 0.00627741
-8.79341314 8.17964534 -3.53587697
-0.00085701 -0.00043702 0.00040671
0.01665746 0.00388532 -0.00741133
-1.10162226 -16.90447041 22.72036952
-0.00020471 0.00036043 -0.00071673
0.00220902 0.02662303 0.00803187
-3.58230933 -15.68667108 23.60042177
0.00150538 0.00032216 -0.00039874
0.03368985 0.01842900 0.00023511
-2.70872944 6.39334275 -7.99516192
-0.00071228 -0.00024658 0.00010387
0.00717009 -0.00743793 0.01574118
-4.54003205 6.65688454 -5.80052492
-0.00069997 -0.00031836 0.00091004
0.02880120 -0.00020193 0.00328413
-21.66933625 29.74774142 3.10524949
-0.00035949 0.00053923 0.00060278
0.00352665 0.00185509 -0.00374253
-21.23266496 30.93069732 5.60825570
-0.00021726 -0.00035921 -0.00117622
-0.00774911 0.01099607 0.01563149
6.84608452 0.10687594 5.93949716
0.00050540 -0.00034576 0.00044288
0.01529612 -0.01668739 0.00955399
7.25482900 2.20766704 7.71994452
-0.00036524 0.00029213 0.00043480
0.00992799 -0.00929689 0.01388302
7.08435440 12.78988691 -13.18513844
-0.00058528 -0.00042568 0.00123350
-0.01381833 -0.01444824 -0.01306349
4.83175427 11.80690054 -14.85125491
0.00027367 0.00045155 -0.00076920
-0.03194939 0.01702283 -0.04998056
14.27123954 3.84747144 -2.43218125
-0.00012589 0.00030624 0.00110566
-0.00466453 0.00314673 -0.00414074
14.84627196 1.12698183 -1.68595720
-0.00043023 -0.00046746 0.00093818
-0.00715130 -0.01276381 0.00320490
-2.83998788 12.54814245 -0.21599084
-0.00044053 -0.00108944 0.00074450
0.00254850 0.00038570 -0.00441311
-5.50589107 12.98984999 0.67706759
0.00016796 -0.00028517 0.00023910
-0.01484249 -0.00274725 0.00891773
3.32528703 11.41629599 2.89184129
0.00051399 0.00136545 -0.00136599
-0.01588459 -0.01383889 0.00230415
6.25365427 11.32393006 3.03560536
-0.00080594 0.00007581 0.00012165
-0.01281222 0.02342922 -0.00647381
25.24200965 -12.50744698 -8.38811362
-0.00036444 -0.00010817 -0.00051279
0.00022990 -0.00184519 -0.00553490
26.56595071 -11.56810785 -11.02355233
-0.00130617 0.00071883 -0.00042940
0.00542548 -0.00107523 -0.01229509
15.41794786 -3.10320986 0.33376857
0.00147397 0.00117846 0.00064505
-0.02180766 0.00301304 0.01034388
16.95648559 -5.34356395 -0.64729605
-0.00003014 -0.00014952 -0.00041863
0.00350013 -0.03382156 0.00056300
12.11137035 7.87250677 11.65405229
0.00014109 0.00060584 -0.00124467
0.00617248 0.00949547 -0.00290949
13.39361483 9.68338025 9.63447529
-0.00024904 -0.00024073 -0.00021843
0.00372971 -0.00086560 0.00226075
-0.12442305 -14.61978902 17.44911106
-0.00001422 0.00023430 0.00022129
0.02194684 -0.00111103 -0.00815918
1.50330741 -12.62149342 18.59416937
0.00025830 -0.00054238 0.00053777
0.00834740 0.02358261 0.01523501
-3.99706765 -1.99146873 -12.87039819
0.00017648 0.00013965 0.00106319
0.00787668 0.00310429 -0.00811430
-3.12477276 -1.51994307 -15.66774701
0.00042330 -0.00052902 0.00171154
0.01097035 -0.00904034 -0.01208073
14.79500981 -8.17046674 -10.50319444
0.00013219 0.00061612 0.00038162
-0.00370760 -0.00624632 -0.02845747
16.27396236 -6.16387000 -8.93283868
-0.00079320 -0.00102625 0.00021911
0.01008990 0.00615825 -0.01204224
6.97649784 -5.97713751 8.35921925
0.00018597 0.00090043 -0.00035552
-0.00864274 0.00449361 0.01285534
9.66016944 -6.51817420 7.75872328
0.00074713 0.00039631 -0.00014015
0.00375176 -0.00617437 0.00353852
-21.66522899 2.00407607 21.02204039
0.00104750 0.00020583 -0.00034765
0.01977234 0.00896266 0.02802902
-22.38892938 1.51077781 23.79826159
-0.00001109 -0.00002732 0.00003654
-0.01063910 -0.01617409 0.01403501
26.77702781 -2.96566142 -6.70441121
0.00028787 0.00007929 -0.00012303
-0.00086033 0.00392615 -0.00509885
25.29308645 -1.45098395 -8.85771924
0.00029698 0.00001180 -0.00034734
0.00889033 -0.01222906 0.00826565
9.97600378 -15.71887702 -7.83303224
0.00048543 -0.00046004 -0.00028527
-0.00801868 0.02531787 -0.00202353
9.41215530 -12.87859536 -6.95813369
0.00010843 0.00037861 -0.00066592
-0.00580522 -0.00316885 -0.00243554
-5.92145113 -11.31950832 18.23484871
0.00065336 0.00064174 0.00043473
0.00072617 -0.00111577 0.00060394
-6.88682743 -11.31732337 15.51171223
0.00048694 0.00050407 0.00019199
-0.00131911 -0.00011987 -0.00015002
8.39019829 1.32116688 -29.53186490
0.00076531 -0.00056421 -0.00029841
0.00869434 0.01686747 0.00748583
6.00640192 2.68440396 -30.06360046
0.00026610 -0.00097485 -0.00030497
0.00965104 0.01204072 0.00530119
12.73277099 14.95134099 14.48298808
-0.00075627 -0.00014237 0.00014484
-0.01976243 0.02346546 0.02291228
11.24496492 16.01298461 17.09431681
0.00042661 0.00062900 0.00042389
0.01263609 0.01121762 0.04731295
29.31476142 4.95861407 -4.66716659
-0.00013361 0.00034201 -0.00063172
-0.01374167 0.00964125 0.00290764
26.99580270 6.81689443 -3.78378700
0.00064796 0.00053434 0.00025814
0.00528884 -0.00792048 -0.00669824
-9.95065784 4.93696344 6.53980576
-0.00001975 0.00022043 -0.00021857
0.00081851 0.00906539 0.00165050
-8.79682264 13.35923476 2.59617439
-0.00012949 0.00004744 0.00001519
-0.00349724 -0.00436588 0.00501521
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09524772
0.31670399
421.99219116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3991247358 (a.u.)
total exchange computation time: 2.6120719910 s
-154.3183983237
-931.41487448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3986394757 (a.u.)
total exchange computation time: 2.6112630367 s
-154.3232079747
Anderson extrapolation: theta=1.3516742840 (1.3516742840)
-931.41508334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3978767223 (a.u.)
total exchange computation time: 2.6143369675 s
-154.3306084549
Anderson extrapolation: theta=0.0521496918 (0.0521496918)
-931.41520862
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3977529022 (a.u.)
total exchange computation time: 2.6122958660 s
-154.3317418552
Anderson extrapolation: theta=1.8835736527 (1.8835736527)
-931.41521309
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3974934132 (a.u.)
total exchange computation time: 2.6123690605 s
-154.3340728788
Anderson extrapolation: theta=0.2134611220 (0.2134611220)
-931.41521736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3974291562 (a.u.)
total exchange computation time: 2.6132369041 s
-154.3346153487
Anderson extrapolation: theta=1.8516199182 (1.8516199182)
-931.41521807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3973276757 (a.u.)
total exchange computation time: 2.6110489368 s
-154.3354388102
Anderson extrapolation: theta=0.2866595978 (0.2866595978)
-931.41521885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3973170475 (a.u.)
total exchange computation time: 2.6117079258 s
-154.3354926577
Anderson extrapolation: theta=1.3292663137 (1.3292663137)
-931.41521903
-117.567403 68.317539 97.332253
559.071130 1031.543654 -409.906280
441.503727 1099.861193 -312.574027
1225.692746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3973171331 (a.u.)
total exchange computation time: 2.6122879982 s
679.25776177
-1084.45571931
89.82812870
-388.71597073
-174.93210241
78.69998154
551.60419304
0.00000000
-931.41521912
4.06889346 -31.28661734 -2.21238998
0.00003671 -0.00045748 0.00003215
0.00587081 0.00256603 -0.00107856
-11.51156279 -1.52619398 -9.31914923
-0.00015406 0.00022302 -0.00011299
-0.00685495 0.01082042 -0.00499746
-37.52392215 2.40748617 0.23168204
-0.00001293 -0.00012632 0.00013644
-0.00829990 0.00010659 0.00598908
-11.72464350 -4.20888018 3.99082002
-0.00018438 -0.00001361 0.00022773
-0.02766425 0.01902848 0.01461760
4.09305509 -4.03573579 8.93692082
-0.00022827 -0.00021578 -0.00037437
-0.00229835 -0.03469364 -0.01137300
-32.56145267 -0.30968305 -0.10355112
-0.00065700 0.00005242 0.00046959
0.00847443 -0.04175048 -0.01495533
14.31886452 12.47595335 -13.57670258
-0.00033073 -0.00005123 0.00016154
0.01522025 0.01915448 -0.04839161
-7.74391349 6.07794369 2.68148457
-0.00007046 0.00012542 0.00014795
0.00273168 -0.00273393 -0.02095773
7.33375734 12.27634104 -6.05834037
-0.00033322 -0.00036683 -0.00024721
0.01305293 -0.00439164 0.01122499
8.81433307 9.93987143 -19.06061138
-0.00006266 0.00000825 -0.00012639
-0.00471446 -0.01472915 0.00284024
23.16523967 17.33351363 -2.30468126
0.00005638 -0.00003303 -0.00026385
0.01622686 -0.00820151 -0.00622157
2.09832809 16.81855740 -19.63618872
-0.00010008 0.00010136 -0.00007948
-0.00246485 0.00969758 -0.03389106
13.97926938 -0.96093333 -5.79015711
0.00005319 0.00023080 -0.00020140
0.01817369 -0.00641326 0.00773655
-16.05699672 -1.37339393 3.24137286
-0.00001078 -0.00009591 -0.00006631
0.01643134 0.00222671 0.00118611
-16.22750263 -2.18538507 18.81315938
0.00040383 -0.00028843 -0.00011334
-0.02288330 -0.00068759 -0.02586033
0.49721690 2.10911829 -4.74423679
-0.00003981 0.00005204 0.00024586
-0.03921566 0.00402054 -0.00440937
22.75639163 -7.09787436 -8.81137234
-0.00010506 0.00010527 0.00003405
-0.01427661 -0.00334999 -0.00232568
-0.76739335 -6.32569033 7.29699240
0.00004272 -0.00010024 0.00003988
0.01402155 -0.00960265 -0.01742477
-1.75608083 -1.37665812 -19.33808642
0.00002847 -0.00013517 -0.00002297
0.01116797 -0.02387320 -0.00967197
3.17101296 1.71482673 -9.28421475
-0.00014334 -0.00026325 0.00014772
-0.01201225 -0.01683094 0.03681482
-3.68665288 17.70951518 12.31665256
0.00037684 -0.00007926 0.00001603
-0.04240457 0.03896678 0.01198326
-3.82107523 5.09288666 -11.16830497
-0.00028869 0.00013664 -0.00032000
-0.04573230 0.00333816 -0.01345731
-7.90558508 2.75556556 -8.90218226
0.00015242 -0.00007243 0.00003295
0.02342070 0.01412674 -0.01185510
2.44698561 27.50160173 8.83824507
0.00007730 0.00012688 0.00038623
0.00223594 0.00261833 -0.01082859
9.53299515 -6.23781194 -1.76929319
-0.00030558 -0.00009412 0.00011018
-0.00141701 -0.01154737 0.00180758
-8.69704038 0.78000680 6.10373657
0.00014470 -0.00018465 0.00030040
0.03868081 -0.00018096 -0.00912207
20.45716635 10.87405577 8.74839620
0.00017978 0.00021222 -0.00017406
-0.00235394 0.02134270 0.00083383
-1.99583323 -2.18862117 -27.55007134
0.00017611 -0.00006185 -0.00035494
-0.05614103 0.02754631 0.00547205
-14.24534207 6.14256654 7.95889132
0.00015763 0.00004441 0.00029924
-0.00142533 0.01469672 -0.00516188
-9.60485975 7.23634809 -2.18615328
-0.00013145 -0.00007327 0.00044084
-0.02478114 0.00407400 0.00499141
-1.75990420 -15.19353600 23.27354166
-0.00012723 0.00029566 -0.00040564
-0.02886090 -0.04402916 -0.01225661
-2.70502656 6.31756336 -6.12312591
-0.00002388 -0.00006899 0.00013343
-0.04097871 0.00027383 -0.01480039
-20.29135551 30.40053057 4.17290928
-0.00035182 -0.00073132 0.00006180
0.01114320 -0.00373534 -0.00943848
7.72458992 0.41669687 7.57571524
0.00005601 0.00046648 -0.00034244
-0.01464790 0.02943800 -0.00864268
5.74990932 11.39298572 -13.45078897
0.00017307 -0.00048286 0.00025053
0.04179868 -0.01963173 0.03668018
15.56673464 2.76636438 -1.73983254
0.00017097 0.00019203 0.00019622
0.01426104 0.01413154 0.00690324
-4.45250316 13.17314631 -0.78806763
-0.00008117 -0.00031057 -0.00004821
0.01731902 -0.00184369 -0.01113661
4.75139911 12.50110819 2.66795241
0.00007981 0.00004772 -0.00044462
0.03490782 0.00234704 0.00831086
25.09439839 -11.50949923 -9.92097071
0.00009931 0.00003481 0.00010577
-0.03051739 -0.00054117 0.03400744
16.77539392 -3.57297951 -0.72181490
0.00023574 0.00028719 -0.00012155
0.02141119 0.02896246 -0.01294575
13.31031520 7.93508130 10.23484323
0.00041322 -0.00027211 0.00024120
0.00479320 -0.01777569 -0.01074282
1.69024738 -14.05468086 17.55032294
0.00024201 -0.00001897 -0.00013355
-0.02165400 -0.01473941 -0.00873324
-3.74979830 -0.71268319 -14.19432462
0.00034997 0.00007820 -0.00009912
-0.02783573 0.00920309 0.03432661
15.01048481 -7.50524030 -8.86209971
-0.00002177 0.00009644 0.00003330
-0.01123031 -0.02918469 0.03122799
8.36459391 -7.04903462 8.94974407
-0.00004687 0.00003110 0.00021557
0.01729507 0.02999063 -0.01649682
-21.10000705 2.32830452 22.83966331
0.00001467 0.00012135 0.00010769
-0.00529648 0.00842592 -0.04606247
25.70402844 -3.16166454 -8.19025621
0.00004320 0.00024028 -0.00017967
0.00102953 0.01047265 0.00357725
9.89925461 -13.91798967 -8.39046124
0.00005292 0.00007805 -0.00031242
0.00410264 -0.03423999 0.00476956
-6.72646647 -12.39974793 16.97844460
0.00001415 0.00009716 -0.00007991
0.00843926 0.01479141 0.00307997
7.70014106 3.03678302 -29.31069148
-0.00059393 -0.00035732 0.00000034
-0.00711909 -0.03483873 -0.01573758
11.04857778 15.61725759 15.41195900
0.00021707 0.00029840 -0.00007066
-0.00945644 -0.02271875 -0.05781911
28.73981903 6.28323823 -3.46668806
0.00006766 0.00025306 -0.00011909
0.01270109 -0.00272019 0.01096296
5.34407976 -31.85081543 -3.45447125
-0.00014138 -0.00072058 0.00027997
-0.00768690 0.00439951 0.00577798
4.81079539 -31.32554213 -0.48081469
0.00038464 -0.00059558 -0.00038120
-0.01071015 -0.00598582 -0.01142370
-12.05342188 -3.22623589 -9.14784813
-0.00033756 -0.00002270 -0.00042747
-0.00646939 -0.02440717 0.00382120
-12.34083780 -0.90388339 -10.81140410
0.00029318 0.00126636 -0.00064567
0.00043930 0.00353605 -0.00489726
-39.00327602 2.14145680 1.31763113
0.00019715 0.00061603 0.00026992
0.01249727 0.00456990 -0.01345096
-37.92168782 3.81930127 -0.87699756
-0.00019872 0.00086047 -0.00050368
-0.00087327 0.00565709 -0.00311202
-10.76872709 -5.53422060 3.27505177
0.00030833 -0.00030872 -0.00078462
0.01860581 -0.02130515 -0.01035989
-10.70684569 -2.71370002 3.95636469
0.00068898 0.00004539 0.00067843
0.00766508 0.00611226 0.00185923
4.31670529 -2.37313122 8.37572274
-0.00047718 0.00071579 -0.00020265
0.00549239 0.02864406 -0.00881595
3.77406508 -3.93660692 10.71273390
-0.00071517 -0.00079038 -0.00052800
0.00333632 0.00057749 0.01465000
-34.11004816 -1.25372666 0.05044408
-0.00067343 0.00059144 0.00043113
0.00093550 -0.00312823 -0.00443874
-33.00352657 1.19101475 0.68180483
-0.00032117 0.00082335 -0.00085387
-0.01018542 0.04117087 0.01731421
13.61048946 12.85730124 -15.35424511
-0.00022977 0.00027765 0.00145070
0.01668382 -0.00651869 0.03613833
16.18442554 12.54548600 -13.87846426
0.00078191 0.00035289 -0.00127608
-0.02544442 -0.00716234 0.00443990
-8.40654045 7.56617208 1.78103122
0.00057201 0.00065250 0.00032656
0.00824961 -0.01648841 0.00313618
-7.32219134 4.85927985 1.28588825
0.00038986 -0.00108812 -0.00056054
-0.00886907 0.01481880 0.01819499
6.22202992 12.43688037 -7.45074126
0.00019966 0.00012300 -0.00089714
-0.01630061 -0.00178226 -0.01452172
8.76300065 13.37612050 -6.53644515
0.00023734 0.00008525 0.00039271
0.00854143 0.01170122 0.00168910
8.57695540 8.49307782 -20.14978493
0.00057892 -0.00088687 -0.00003429
0.00669970 0.00293944 -0.00046716
10.41862163 10.78235771 -19.40729017
0.00115912 -0.00086249 0.00045809
0.00076333 0.00081026 -0.00321279
24.14119747 15.76896693 -2.78308296
-0.00016477 0.00046697 0.00014632
-0.00644900 0.00961502 0.00491485
24.28503985 18.70084994 -2.82318601
-0.00118117 0.00074815 -0.00084352
0.00655766 -0.00721097 0.00365230
1.65937097 17.02194525 -21.56546928
-0.00067306 0.00016828 -0.00001945
0.01063384 -0.01070685 0.03923471
3.57152825 15.67595868 -19.49764980
0.00040340 -0.00045161 0.00052982
-0.01426939 0.00371267 -0.00214670
12.78565772 -1.57278084 -7.06063554
0.00092406 -0.00091566 0.00002500
-0.00374449 0.00476380 0.00846824
13.27953203 -0.92027341 -4.11138478
-0.00117443 -0.00034301 -0.00006376
-0.01011849 -0.00545973 -0.00656168
-17.66437764 -1.94665808 2.78745622
-0.00107917 0.00041611 0.00097393
-0.03675291 -0.01142658 -0.00410439
-14.99801968 -2.76783871 2.73688984
-0.00028714 -0.00023360 -0.00013701
0.01203266 -0.00286281 0.01011130
-16.64892562 -0.73135828 19.77473141
0.00065361 0.00011900 -0.00112043
0.00363596 0.02119165 0.01154152
-15.10099801 -3.14278150 19.79286753
0.00089523 -0.00014160 0.00028060
0.01956926 -0.01795633 0.01410711
-0.43647611 0.49478565 -4.93977733
0.00069847 0.00034366 -0.00024482
0.00822792 -0.00783657 -0.00063283
-1.06756778 3.16022609 -5.00436012
-0.00000314 0.00005212 -0.00025527
0.02734316 0.00539803 0.00086097
23.52070407 -8.73888039 -9.21567960
0.00122521 -0.00016798 -0.00034190
0.00981355 0.00896951 0.00353686
23.96623157 -5.77311365 -8.36260264
0.00023719 -0.00001965 0.00064023
0.00091911 -0.00805173 -0.00350058
-0.06085433 -6.30676518 5.55860618
-0.00125251 0.00001589 -0.00045269
-0.00984099 0.00337493 0.01318519
0.79565438 -6.43482843 8.26264330
0.00024901 0.00006457 -0.00001331
-0.00556198 0.00924425 0.00210630
-0.30291581 -2.58288330 -19.55724005
0.00020702 0.00103309 0.00003156
-0.02533459 0.01759273 0.00820180
-3.08892639 -2.04475578 -20.45825920
-0.00077606 -0.00020252 -0.00005075
0.01106472 0.00160056 0.00364002
2.84365606 3.11564505 -10.37661859
0.00036577 0.00029182 0.00082467
-0.00918345 0.00998115 -0.01455365
1.94898549 1.69740607 -7.79566669
-0.00003359 -0.00046038 -0.00045917
0.01705925 0.01799308 -0.02073772
-2.23582741 16.69664956 12.29461808
-0.00049246 0.00010896 0.00018156
0.04005878 -0.02520568 0.00382336
-3.70502662 18.49255082 14.01033700
0.00043864 -0.00003044 0.00034298
0.01329010 0.00061483 -0.01466793
-5.51741195 5.97911748 -11.07063992
0.00080807 -0.00033259 0.00004326
0.02795715 0.00164733 -0.00588177
-4.31721428 3.73810177 -12.34365546
0.00073602 0.00067341 0.00074155
0.02012705 0.00552419 0.00534393
-7.71158036 1.52539656 -7.50922484
-0.00023128 -0.00139321 -0.00017944
0.00119469 0.00662475 -0.00763060
-6.18784836 3.26688929 -9.51111160
-0.00048787 -0.00066529 0.00058235
-0.02791046 -0.01595058 0.02172343
3.04323165 27.80089668 7.10346668
0.00046499 -0.00089840 -0.00057185
-0.00942682 -0.00340370 0.01501380
1.19111388 28.80055496 9.09704241
0.00067540 0.00017751 -0.00006242
0.00011807 -0.00295316 0.00140413
10.57252727 -7.32674681 -0.69956716
-0.00051640 0.00088611 0.00001586
-0.00046586 0.00789652 0.00101567
8.41193530 -7.43658990 -2.59662866
-0.00001495 -0.00034787 0.00083899
0.00074079 0.00645562 0.00108834
-7.06326124 0.16029614 6.86217078
-0.00009076 -0.00029325 -0.00001622
-0.01616466 0.00609696 -0.00666799
-10.00860286 0.29721535 7.19585581
-0.00108636 0.00134032 -0.00015577
-0.02063358 -0.01412056 0.01875379
21.29411486 10.90131587 10.38278121
-0.00075420 0.00100948 0.00058824
0.00009600 -0.00402912 -0.00483724
20.44904041 12.71510605 8.29472797
-0.00055197 -0.00064170 -0.00016284
0.00663375 -0.01762887 -0.00141809
-1.02553955 -3.18771309 -26.45195719
0.00069517 -0.00011635 0.00029052
0.02233744 -0.03327515 0.01596994
-3.54813000 -2.01244456 -26.47066409
0.00029225 0.00021871 0.00074660
0.01656953 0.00056976 -0.01996323
-13.62584197 7.17477250 9.34277485
0.00077490 -0.00061391 0.00070291
-0.00084342 -0.00629297 0.00288615
-15.40986904 7.36961864 7.20274659
0.00018789 0.00013262 0.00008550
0.00888648 -0.00901464 0.00304859
-11.30004163 7.92471351 -2.38663665
-0.00044189 0.00001744 0.00096501
-0.00155447 -0.01448453 0.00642442
-8.80575780 8.17320903 -3.53000344
-0.00078582 -0.00041775 0.00037158
0.01818691 0.00555041 -0.00978386
-1.10462520 -16.89824812 22.70986469
-0.00019427 0.00046910 -0.00068373
0.00289932 0.02657060 0.00811999
-3.55869627 -15.68127392 23.59444783
0.00162392 0.00039365 -0.00039462
0.02433431 0.01656647 0.00178467
-2.71919393 6.38941617 -7.99312155
-0.00068295 -0.00027674 0.00016797
0.00718655 -0.00732521 0.01563905
-4.54964900 6.65210297 -5.78677364
-0.00057413 -0.00032019 0.00092096
0.03279762 -0.00069422 0.00205773
-21.67462053 29.75588674 3.11417655
-0.00035028 0.00054187 0.00057994
0.00098386 -0.00056491 -0.00743931
-21.23616137 30.92564606 5.59109144
-0.00025565 -0.00030886 -0.00109768
-0.01104005 0.01365474 0.02281505
6.85413426 0.10117817 5.94643305
0.00056333 -0.00041352 0.00047343
0.01306012 -0.01648215 0.00540391
7.24965466 2.21176409 7.72689201
-0.00032509 0.00025376 0.00048963
0.00972473 -0.00948318 0.01295370
7.07515178 12.78305903 -13.16703619
-0.00063936 -0.00048269 0.00117945
-0.01265557 -0.01345801 -0.01339639
4.83488025 11.81419544 -14.86432449
0.00015692 0.00051590 -0.00095334
-0.02520036 0.01447624 -0.04015524
14.26920829 3.85216145 -2.41572329
-0.00014597 0.00031947 0.00108780
-0.00516487 0.00332830 -0.00459775
14.83959937 1.11957882 -1.67178623
-0.00045367 -0.00050536 0.00095049
-0.00432108 -0.00578840 0.00281820
-2.84651768 12.53181260 -0.20495856
-0.00043168 -0.00108660 0.00072403
0.00178152 0.00100864 -0.00560736
-5.50382648 12.98548823 0.68092740
0.00010642 -0.00029551 0.00027367
-0.01528054 -0.00231209 0.00800297
3.33251006 11.43635372 2.87142205
0.00043269 0.00129761 -0.00135441
-0.02391077 -0.01937212 0.00336510
6.24117249 11.32578519 3.03723166
-0.00085315 0.00016832 0.00009557
-0.01029675 0.02185443 -0.00628884
25.23655008 -12.50912614 -8.39597503
-0.00036147 -0.00011952 -0.00053006
0.00122498 -0.00370637 -0.00291895
26.54652447 -11.55735828 -11.03037002
-0.00127357 0.00071234 -0.00048544
0.01053029 -0.00210386 -0.01514082
15.43938918 -3.08544066 0.34376123
0.00138200 0.00119049 0.00068989
-0.02321075 0.00287806 0.01160633
16.95614074 -5.34684312 -0.65355823
-0.00001758 -0.00027926 -0.00041575
0.00265044 -0.02968600 0.00084753
12.11367591 7.88188530 11.63529313
0.00015804 0.00064201 -0.00124525
0.00212140 0.00821322 0.00262308
13.38999357 9.67974277 9.63126816
-0.00023251 -0.00024644 -0.00020946
0.00436100 -0.00192856 0.00212786
-0.12396387 -14.61630862 17.45218042
0.00007675 0.00022945 0.00018720
0.02258273 -0.00126008 -0.00852744
1.50743774 -12.62890644 18.60270282
0.00029299 -0.00044609 0.00059988
0.00863241 0.02355091 0.01516849
-3.99417915 -1.98927886 -12.85469899
0.00020996 0.00015988 0.00102273
0.00851408 0.00679981 -0.01169016
-3.11808712 -1.52815533 -15.64244410
0.00047550 -0.00057516 0.00164510
0.01458341 -0.01354807 -0.02044349
14.79687907 -8.16141635 -10.49834209
0.00011604 0.00058681 0.00025754
-0.00419900 -0.00810129 -0.03228172
16.26237348 -6.17907500 -8.92992108
-0.00074039 -0.00098795 0.00017095
0.01576368 0.01258998 -0.01153204
6.97902257 -5.96349338 8.35428038
0.00015555 0.00091386 -0.00030051
-0.00625052 0.00208212 0.01407365
9.67149139 -6.51241868 7.75672940
0.00075298 0.00036709 -0.00011731
-0.00088713 -0.00813174 0.00764162
-21.64891063 2.00743824 21.01768460
0.00112657 0.00024206 -0.00023177
0.01893213 0.00876803 0.02869104
-22.38942168 1.50987245 23.79923969
-0.00005404 -0.00009278 0.00009179
-0.01038982 -0.01587212 0.01301368
26.78131952 -2.96435171 -6.70641290
0.00028302 0.00009533 -0.00014585
-0.00151308 0.00392354 -0.00607040
25.29781359 -1.45118167 -8.86267602
0.00033279 -0.00003599 -0.00031432
0.00863977 -0.01116522 0.00789584
9.98303955 -15.72500181 -7.83737326
0.00045233 -0.00034977 -0.00029474
-0.00818710 0.02865779 -0.00261150
9.41360391 -12.87301329 -6.96819712
0.00008393 0.00036569 -0.00067386
-0.00618869 -0.00315876 -0.00145276
-5.91162841 -11.30991641 18.24138820
0.00065018 0.00062870 0.00042863
-0.00228580 -0.00526915 -0.00358866
-6.87956382 -11.30976601 15.51458749
0.00048129 0.00050322 0.00019055
-0.00144401 -0.00029586 -0.00055441
8.40194432 1.31322063 -29.53611165
0.00079661 -0.00048684 -0.00026668
0.00662900 0.02100460 0.00804337
6.01068915 2.67015010 -30.06801257
0.00029948 -0.00092661 -0.00028513
0.00669071 0.01157582 0.00440985
12.72082132 14.94992449 14.48586276
-0.00083428 -0.00004693 0.00023801
-0.01842215 0.02325317 0.02269360
11.25175122 16.02276335 17.10212493
0.00047672 0.00067124 0.00060391
0.01189333 0.00946092 0.04080856
29.31233622 4.96403959 -4.67655335
-0.00019034 0.00038271 -0.00061829
-0.01403036 0.01028641 0.00367063
27.00568419 6.82466689 -3.78012022
0.00066226 0.00050401 0.00022914
0.00171137 -0.00693099 -0.00749565
-9.95095196 4.94029425 6.53653157
-0.00001943 0.00022365 -0.00021800
0.00100311 0.00891680 0.00156779
-8.79877110 13.35993884 2.59641093
-0.00013028 0.00004643 0.00001633
-0.00328669 -0.00436318 0.00480597
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09527486
0.31994426
426.30968958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3966369545 (a.u.)
total exchange computation time: 2.7012140751 s
-154.3022897142
-931.41688640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3962447980 (a.u.)
total exchange computation time: 2.7003569603 s
-154.3063980351
Anderson extrapolation: theta=1.3563032340 (1.3563032340)
-931.41708786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3956131649 (a.u.)
total exchange computation time: 2.7008228302 s
-154.3128279752
Anderson extrapolation: theta=0.0532795747 (0.0532795747)
-931.41720932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3955014987 (a.u.)
total exchange computation time: 2.7005379200 s
-154.3138782639
Anderson extrapolation: theta=1.9101122870 (1.9101122870)
-931.41721379
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3952661038 (a.u.)
total exchange computation time: 2.7013270855 s
-154.3160481206
Anderson extrapolation: theta=0.2172940519 (0.2172940519)
-931.41721816
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3952096156 (a.u.)
total exchange computation time: 2.7022600174 s
-154.3165369050
Anderson extrapolation: theta=1.8404754124 (1.8404754124)
-931.41721892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3951248469 (a.u.)
total exchange computation time: 2.7026572227 s
-154.3172426628
Anderson extrapolation: theta=0.2822186760 (0.2822186760)
-931.41721976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3951202354 (a.u.)
total exchange computation time: 2.7020227909 s
-154.3172538703
Anderson extrapolation: theta=1.3062667809 (1.3062667809)
-931.41721997
-117.603440 68.307751 97.375297
559.106821 1031.558880 -409.877497
441.503381 1099.866631 -312.502200
1225.679186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3951281995 (a.u.)
total exchange computation time: 2.7021820545 s
679.22303296
-1084.37475358
89.82639090
-388.77185812
-174.92490407
78.65097002
551.60419304
0.00000000
-931.41722011
4.06946683 -31.29346968 -2.21191183
0.00003950 -0.00045610 0.00003157
0.00497635 0.00279572 -0.00119714
-11.51390009 -1.52280699 -9.32086332
-0.00015819 0.00022852 -0.00011632
-0.00920705 0.01059701 -0.00796236
-37.52414807 2.40559172 0.23375169
-0.00001730 -0.00012446 0.00013794
-0.00869006 0.00715049 -0.00014214
-11.72751589 -4.20901098 3.99429237
-0.00019680 -0.00000446 0.00023440
-0.02063396 0.01656034 0.01131388
4.08962220 -4.03910635 8.93126134
-0.00022915 -0.00023173 -0.00038105
-0.00114688 -0.02730789 -0.01459661
-32.57127495 -0.30905786 -0.09656497
-0.00065209 0.00003145 0.00046194
0.01059886 -0.03979680 -0.01477232
14.31396230 12.47525871 -13.57446616
-0.00032038 -0.00004148 0.00013747
0.02501209 0.01878073 -0.04521859
-7.74495989 6.07981437 2.68362298
-0.00006866 0.00012285 0.00013601
0.00426836 -0.00723085 -0.02546382
7.32880945 12.27082164 -6.06200529
-0.00032604 -0.00036842 -0.00024210
0.01486113 -0.00177893 0.00864408
8.81337498 9.93993838 -19.06249630
-0.00006425 0.00000019 -0.00012583
-0.00145556 -0.01662901 -0.00065743
23.16614792 17.33298648 -2.30866299
0.00006407 -0.00003645 -0.00026675
0.01368211 -0.00508087 -0.00506023
2.09681735 16.82011518 -19.63751159
-0.00010058 0.00010564 -0.00009663
0.00051928 0.00695554 -0.03282607
13.98013726 -0.95749613 -5.79314822
0.00006226 0.00022757 -0.00019592
0.01713433 -0.00611402 0.01356767
-16.05709500 -1.37482405 3.24038271
-0.00000366 -0.00009503 -0.00006593
0.01125447 0.00120789 0.00032632
-16.22153344 -2.18971413 18.81135960
0.00039293 -0.00028985 -0.00012633
-0.01950733 -0.00486193 -0.02467073
0.49646842 2.10991435 -4.74056585
-0.00005949 0.00005483 0.00024365
-0.03728994 0.00682995 -0.00420757
22.75476064 -7.09630821 -8.81087056
-0.00011115 0.00010256 0.00003269
-0.00938706 -0.00719331 -0.00297861
-0.76669852 -6.32723103 7.29752335
0.00004978 -0.00010515 0.00003110
0.01345567 -0.00945896 -0.01668922
-1.75561065 -1.37877779 -19.33846829
0.00003276 -0.00014689 -0.00002829
0.00548379 -0.02168704 -0.01102473
3.16881653 1.71081309 -9.28185690
-0.00014916 -0.00027187 0.00016599
-0.01060705 -0.01671784 0.03422689
-3.68116387 17.70847664 12.31693916
0.00035372 -0.00005801 0.00002256
-0.04750646 0.04364613 0.01344302
-3.82558201 5.09494920 -11.17315693
-0.00030996 0.00013937 -0.00032538
-0.03698401 0.00725677 -0.00743533
-7.90320837 2.75453354 -8.90173369
0.00016325 -0.00006630 0.00002806
0.01868448 0.00974329 -0.00716076
2.44815376 27.50351510 8.84399677
0.00007961 0.00012766 0.00037927
0.00675628 0.00038386 -0.01624257
9.52840593 -6.23926825 -1.76763345
-0.00030666 -0.00009888 0.00011057
-0.00277289 -0.00695636 -0.00030646
-8.69472073 0.77723631 6.10820733
0.00016363 -0.00018466 0.00029563
0.03493872 0.00014733 -0.00940243
20.45985391 10.87732145 8.74578855
0.00017872 0.00022200 -0.00017284
-0.00174341 0.01668465 0.00391879
-1.99340810 -2.18944271 -27.55537429
0.00014769 -0.00004864 -0.00035050
-0.05438593 0.02384394 0.01177426
-14.24298316 6.14328943 7.96336000
0.00015698 0.00005199 0.00029667
-0.00109701 0.01478573 -0.00484965
-9.60692714 7.23526476 -2.17952136
-0.00014491 -0.00007132 0.00044384
-0.02753520 0.00348855 0.00663822
-1.76192390 -15.18927094 23.26740979
-0.00013953 0.00027382 -0.00041242
-0.01898533 -0.04091696 -0.01410613
-2.70554287 6.31652956 -6.12118155
-0.00004572 -0.00006880 0.00012621
-0.04394831 0.00047743 -0.01325777
-20.29658988 30.38954632 4.17379993
-0.00034453 -0.00073334 0.00005622
0.01720234 -0.00412613 -0.01227703
7.72537351 0.42380766 7.57054527
0.00004923 0.00048160 -0.00034551
-0.01171969 0.02936013 -0.00327803
5.75266654 11.38566711 -13.44688948
0.00019227 -0.00049237 0.00026647
0.03289826 -0.01736329 0.02527416
15.56935415 2.76929941 -1.73686268
0.00017755 0.00019749 0.00019998
0.01136021 0.00708243 0.00774043
-4.45365383 13.16848064 -0.78883380
-0.00007207 -0.00031178 -0.00005334
0.01804202 -0.00287227 -0.00880656
4.75273093 12.50183311 2.66131512
0.00009895 0.00005070 -0.00044056
0.03952358 0.00920545 0.00747725
25.09577037 -11.50897913 -9.91925301
0.00008222 0.00003531 0.00012329
-0.03596804 0.00247300 0.03413579
16.77901267 -3.56855989 -0.72368803
0.00024707 0.00030082 -0.00012839
0.02262357 0.02404017 -0.01365628
13.31653192 7.93093111 10.23841978
0.00041663 -0.00028065 0.00023424
0.00849204 -0.01545514 -0.01632546
1.69379400 -14.05502228 17.54828606
0.00023071 -0.00002624 -0.00013780
-0.02230587 -0.01353560 -0.00781135
-3.74465615 -0.71147470 -14.19567901
0.00033464 0.00008314 -0.00007867
-0.03178658 0.01000901 0.04520514
15.01011494 -7.50390626 -8.86147981
-0.00002879 0.00008013 0.00004991
-0.01605261 -0.03422816 0.03337035
8.36395754 -7.04845237 8.95291393
-0.00003754 0.00004752 0.00020585
0.01900992 0.03384381 -0.02130391
-21.09980742 2.33015719 22.84110096
0.00001196 0.00012561 0.00008438
-0.00525601 0.00816257 -0.04459265
25.70468040 -3.15801988 -8.19293738
0.00004401 0.00024521 -0.00017743
0.00213973 0.00869365 0.00512735
9.90006418 -13.91695103 -8.39512914
0.00005514 0.00005983 -0.00031013
0.00455270 -0.03661223 0.00413809
-6.72622163 -12.39823350 16.97725785
0.00001918 0.00010572 -0.00007718
0.01110749 0.01848719 0.00753215
7.69120467 3.03128891 -29.31074713
-0.00059617 -0.00037595 -0.00000754
-0.00158097 -0.03761848 -0.01488539
11.05179734 15.62164599 15.41067612
0.00021178 0.00028736 -0.00009797
-0.01110920 -0.02023924 -0.04840775
28.74088293 6.28702367 -3.46843208
0.00007519 0.00025117 -0.00011338
0.01658011 -0.00465057 0.01124478
5.34172357 -31.86148927 -3.45009467
-0.00017136 -0.00070330 0.00030060
-0.00699141 0.00405603 0.00432145
4.81623675 -31.33465929 -0.48688275
0.00034143 -0.00061927 -0.00042543
-0.01043958 -0.00561127 -0.01022853
-12.05868350 -3.22732432 -9.15414307
-0.00036318 -0.00011656 -0.00041380
-0.00607019 -0.02153924 0.00287151
-12.33642666 -0.88477958 -10.82123928
0.00029886 0.00127566 -0.00065766
0.00234336 0.00101330 -0.00096927
-38.99993577 2.15083728 1.32126777
0.00024534 0.00063351 0.00021698
0.01109175 0.00398448 -0.01246268
-37.92469542 3.83238171 -0.88464813
-0.00019837 0.00087072 -0.00050664
0.00104537 -0.00064305 0.00166305
-10.76353205 -5.53950426 3.26296508
0.00037538 -0.00038415 -0.00082012
0.01421683 -0.01562018 -0.00702217
-10.69627613 -2.71283191 3.96659807
0.00071486 0.00006359 0.00068626
0.00500350 0.00279818 0.00197347
4.30971592 -2.36151670 8.37241279
-0.00045710 0.00081743 -0.00023281
0.00433550 0.02111007 -0.00594454
3.76343970 -3.94844496 10.70526280
-0.00070202 -0.00078731 -0.00046712
0.00310478 0.00092756 0.01515405
-34.12012090 -1.24495088 0.05677501
-0.00067344 0.00057697 0.00041409
-0.00094428 -0.00395403 -0.00390226
-33.00865625 1.20462666 0.66952730
-0.00036292 0.00098971 -0.00078475
-0.01025019 0.04026390 0.01652385
13.60755417 12.86126624 -15.33137718
-0.00016711 0.00025295 0.00158774
0.01398716 -0.00557421 0.03094124
16.19537455 12.55055988 -13.89746946
0.00066305 0.00032255 -0.00125333
-0.03273990 -0.00769038 0.00669831
-8.39770746 7.57545433 1.78602566
0.00060621 0.00058309 0.00033879
0.00848765 -0.01748960 0.00285427
-7.31661516 4.84341211 1.27803763
0.00035032 -0.00101650 -0.00047611
-0.01048915 0.02023864 0.02313714
6.22452538 12.43867073 -7.46464335
0.00013612 0.00011542 -0.00095272
-0.01480357 -0.00192743 -0.01268334
8.76682255 13.37775786 -6.53050277
0.00026613 0.00012856 0.00040117
0.00554830 0.00949666 0.00245085
8.58584448 8.47986479 -20.15031353
0.00060660 -0.00086803 -0.00003062
0.00685137 0.00628551 0.00226068
10.43603176 10.76944524 -19.40051731
0.00115505 -0.00086178 0.00044679
-0.00275305 -0.00046284 -0.00231693
24.13852829 15.77626611 -2.78073754
-0.00018704 0.00050150 0.00016371
-0.00445277 0.00728811 0.00359872
24.26752326 18.71185118 -2.83572686
-0.00115292 0.00071715 -0.00082794
0.00726887 -0.00796465 0.00397215
1.64960092 17.02414137 -21.56455868
-0.00062752 0.00012393 0.00014108
0.01165687 -0.01100218 0.03934166
3.57714196 15.66929827 -19.48976829
0.00033731 -0.00043006 0.00051851
-0.01808339 0.00683543 -0.00338989
12.79940393 -1.58636973 -7.06000103
0.00090590 -0.00089794 0.00005569
-0.00514644 0.00391065 0.00655554
13.26160558 -0.92558588 -4.11254231
-0.00121098 -0.00036468 -0.00009835
-0.00777533 -0.00514805 -0.01037019
-17.68169138 -1.94076657 2.80193936
-0.00121701 0.00037211 0.00095978
-0.03071990 -0.01011335 -0.00281883
-15.00195802 -2.77143041 2.73514457
-0.00023947 -0.00024599 -0.00009633
0.01130104 -0.00320463 0.00979918
-16.63901011 -0.72892394 19.75827857
0.00066786 0.00020834 -0.00107084
0.00333959 0.02254015 0.01273459
-15.08696992 -3.14545579 19.79750884
0.00096860 -0.00020922 0.00033323
0.01634486 -0.01514179 0.01165626
-0.42574698 0.49970035 -4.94346908
0.00072838 0.00030642 -0.00024763
0.00641453 -0.01039109 -0.00073883
-1.06677705 3.16117324 -5.00816273
0.00010819 0.00007402 -0.00025114
0.02715657 0.00532666 0.00115815
23.53938297 -8.74112522 -9.22069966
0.00125920 -0.00012269 -0.00032488
0.00682313 0.01319918 0.00479060
23.96981761 -5.77365520 -8.35310638
0.00023735 -0.00005425 0.00062468
-0.00084258 -0.00888246 -0.00411609
-0.07994349 -6.30642335 5.55221991
-0.00129032 0.00002972 -0.00039778
-0.00866710 0.00339331 0.01369000
0.79921907 -6.43357654 8.26250825
0.00022485 0.00010232 -0.00000761
-0.00626180 0.00923300 0.00068302
-0.30058680 -2.56684779 -19.55651528
0.00010808 0.00109869 0.00006315
-0.02309651 0.01451433 0.00726222
-3.10022817 -2.04774452 -20.45890884
-0.00072320 -0.00019419 -0.00003153
0.01480835 0.00247475 0.00576621
2.84886124 3.12032822 -10.36469446
0.00032826 0.00033289 0.00076475
-0.00917765 0.01012055 -0.01477941
1.94900433 1.69105175 -7.80318972
0.00003302 -0.00038700 -0.00053937
0.01554994 0.01792507 -0.01851934
-2.24198683 16.69751157 12.29745869
-0.00031806 -0.00000149 0.00019644
0.04531296 -0.02885790 0.00345865
-3.69803972 18.49211312 14.01503228
0.00049249 -0.00002980 0.00027973
0.01306690 -0.00030236 -0.01629568
-5.50443416 5.97417911 -11.07017121
0.00091037 -0.00032047 0.00001970
0.02211833 0.00428650 -0.00565044
-4.30555728 3.74837213 -12.33236850
0.00081265 0.00068229 0.00075140
0.01738656 -0.00117372 -0.00052216
-7.71501288 1.50470134 -7.51215022
-0.00022745 -0.00136007 -0.00021579
0.00067789 0.00960198 -0.01016324
-6.19602162 3.25642110 -9.50171069
-0.00059143 -0.00072679 0.00066651
-0.02278692 -0.01415075 0.01947246
3.04991756 27.78731645 7.09534897
0.00042191 -0.00091288 -0.00049962
-0.01166017 -0.00368495 0.02034325
1.20124855 28.80312717 9.09614914
0.00067117 0.00017076 -0.00005646
-0.00218816 -0.00035331 0.00151504
10.56476702 -7.31321320 -0.69929813
-0.00051173 0.00091199 0.00002670
0.00275278 0.00476990 0.00428884
8.41173382 -7.44161020 -2.58401039
-0.00001554 -0.00032446 0.00084068
-0.00102979 0.00500461 -0.00026431
-7.06511800 0.15608427 6.86172308
-0.00015514 -0.00026988 -0.00004028
-0.01534928 0.00534067 -0.00510521
-10.02553047 0.31688747 7.19409389
-0.00116501 0.00128343 -0.00008191
-0.01786913 -0.01372637 0.01740359
21.28280486 10.91633459 10.39145651
-0.00075550 0.00099234 0.00056476
-0.00073243 -0.00436169 -0.00665286
20.44096416 12.70494040 8.29224192
-0.00052441 -0.00070375 -0.00017108
0.00685616 -0.01274671 -0.00261335
-1.01442752 -3.19047797 -26.44711006
0.00077779 -0.00024447 0.00034633
0.01810720 -0.02943982 0.01135169
-3.54323858 -2.00914643 -26.46007689
0.00036422 0.00022041 0.00066117
0.01866369 0.00026314 -0.02185157
-13.61424433 7.16537103 9.35340701
0.00076912 -0.00063977 0.00071215
-0.00198592 -0.00636487 0.00163639
-15.40677835 7.37133167 7.20412250
0.00022582 0.00009567 0.00010017
0.00968155 -0.00907172 0.00413416
-11.30671757 7.92453123 -2.37196470
-0.00044468 -0.00004305 0.00099134
0.00018845 -0.01512505 0.00646672
-8.81698785 8.16711288 -3.52472954
-0.00070910 -0.00039216 0.00032749
0.01936920 0.00697427 -0.01179832
-1.10745045 -16.89039741 22.69985751
-0.00018070 0.00057634 -0.00065083
0.00374280 0.02592652 0.00798851
-3.53359186 -15.67486145 23.58858326
0.00170091 0.00045647 -0.00038350
0.01335575 0.01418238 0.00365926
-2.72921798 6.38504067 -7.99012272
-0.00065363 -0.00030639 0.00023079
0.00716409 -0.00718966 0.01510838
-4.55725590 6.64727885 -5.77289624
-0.00043382 -0.00032372 0.00092708
0.03588252 -0.00103293 0.00093932
-21.67984451 29.76399743 3.12264768
-0.00035169 0.00053473 0.00054197
-0.00167618 -0.00292875 -0.01114553
-21.24033438 30.92143165 5.57532544
-0.00030676 -0.00024796 -0.00099118
-0.01397978 0.01615527 0.02931459
6.86298441 0.09447027 5.95370014
0.00061167 -0.00048047 0.00048634
0.01060174 -0.01629082 0.00091248
7.24507630 2.21527995 7.73463337
-0.00028605 0.00021524 0.00054049
0.00938772 -0.00937333 0.01194311
7.06517355 12.77540635 -13.14975496
-0.00068809 -0.00053502 0.00112432
-0.01119720 -0.01216226 -0.01359009
4.83646180 11.82237754 -14.87985503
0.00006927 0.00056867 -0.00109441
-0.01770152 0.01135344 -0.02890170
14.26686051 3.85705543 -2.39954710
-0.00016765 0.00033310 0.00106834
-0.00544822 0.00334442 -0.00492843
14.83266196 1.11182108 -1.65744255
-0.00046547 -0.00051485 0.00096102
-0.00145910 0.00114208 0.00233703
-2.85293830 12.51554457 -0.19426994
-0.00042597 -0.00108118 0.00069874
0.00101242 0.00164054 -0.00677403
-5.50269838 12.98098476 0.68527768
0.00004380 -0.00030397 0.00030363
-0.01537438 -0.00183036 0.00666299
3.33826770 11.45522420 2.85120904
0.00031964 0.00120804 -0.00133888
-0.03142791 -0.02447268 0.00423465
6.22805967 11.32897968 3.03847255
-0.00088935 0.00025352 0.00007059
-0.00741983 0.01985143 -0.00594124
25.23116560 -12.51103245 -8.40401533
-0.00035448 -0.00013872 -0.00053635
0.00219622 -0.00569667 -0.00016211
26.52774359 -11.54673765 -11.03811563
-0.00122115 0.00070181 -0.00055270
0.01513004 -0.00305066 -0.01778248
15.45940800 -3.06749508 0.35446520
0.00128618 0.00120130 0.00073845
-0.02369545 0.00241437 0.01216658
16.95595832 -5.35194164 -0.65976846
-0.00000864 -0.00038994 -0.00041170
0.00172417 -0.02449686 0.00113265
12.11611149 7.89176719 11.61669472
0.00015792 0.00067302 -0.00122297
-0.00217854 0.00696334 0.00828232
13.38663958 9.67598710 9.62819144
-0.00021334 -0.00025654 -0.00020106
0.00502155 -0.00301495 0.00198455
-0.12212068 -14.61290544 17.45472717
0.00016927 0.00022382 0.00015169
0.02270850 -0.00149585 -0.00885566
1.51209712 -12.63487612 18.61216588
0.00032893 -0.00035182 0.00066033
0.00896042 0.02259690 0.01442009
-3.99076886 -1.98667225 -12.83971623
0.00024581 0.00019426 0.00096858
0.00903621 0.01002775 -0.01481909
-3.11050771 -1.53719789 -15.61839409
0.00054200 -0.00063923 0.00154616
0.01796991 -0.01781251 -0.02798714
14.79849099 -8.15286246 -10.49546817
0.00009806 0.00055090 0.00012024
-0.00460025 -0.00947746 -0.03493005
16.25175070 -6.19350841 -8.92771023
-0.00066418 -0.00092335 0.00012486
0.02154182 0.01903080 -0.01102952
6.98116423 -5.94972165 8.35020403
0.00013535 0.00091719 -0.00024041
-0.00363669 -0.00045278 0.01534256
9.68275897 -6.50716152 7.75520385
0.00074063 0.00033031 -0.00007859
-0.00516016 -0.00986965 0.01131599
-21.63143199 2.01133775 21.01508717
0.00120164 0.00027717 -0.00011464
0.01781667 0.00842176 0.02864891
-22.39055072 1.50799434 23.80101535
-0.00009481 -0.00015624 0.00014190
-0.00956342 -0.01518946 0.01151614
26.78551849 -2.96280153 -6.70878663
0.00027573 0.00011134 -0.00017231
-0.00205688 0.00391345 -0.00688184
25.30307023 -1.45206367 -8.86714890
0.00036733 -0.00007870 -0.00028315
0.00826790 -0.00973915 0.00736529
9.98957356 -15.72937027 -7.84187432
0.00041863 -0.00022760 -0.00030615
-0.00830877 0.03114906 -0.00297488
9.41467324 -12.86762480 -6.97834958
0.00005789 0.00035289 -0.00067787
-0.00655727 -0.00310593 -0.00051090
-5.90194577 -11.30064742 18.24770775
0.00063514 0.00059939 0.00040617
-0.00507771 -0.00907572 -0.00740886
-6.87238872 -11.30222678 15.51742878
0.00047513 0.00050170 0.00018748
-0.00157190 -0.00045044 -0.00095001
8.41409660 1.30656168 -29.53986544
0.00081970 -0.00039387 -0.00023288
0.00467430 0.02450374 0.00850247
6.01538642 2.65660568 -30.07215441
0.00032027 -0.00088061 -0.00026928
0.00348279 0.01094134 0.00334852
12.70774263 14.94993308 14.49012824
-0.00090586 0.00004700 0.00032952
-0.01661909 0.02272553 0.02210418
11.25926642 16.03312192 17.11243405
0.00052325 0.00070545 0.00075391
0.01088534 0.00728115 0.03261859
29.30905116 4.97009552 -4.68571516
-0.00024789 0.00042557 -0.00060209
-0.01413961 0.01069263 0.00425546
27.01567057 6.83201459 -3.77691282
0.00066172 0.00047792 0.00019698
-0.00197639 -0.00583710 -0.00824775
-9.95124071 4.94367293 6.53326580
-0.00001904 0.00022681 -0.00021745
0.00119438 0.00876973 0.00150076
-8.80073101 13.36062772 2.59666419
-0.00013102 0.00004542 0.00001741
-0.00306771 -0.00434641 0.00456758
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09514592
0.32207418
429.14770260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3946115094 (a.u.)
total exchange computation time: 2.7034819126 s
-154.2856758830
-931.41763897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3942723884 (a.u.)
total exchange computation time: 2.7030420303 s
-154.2892640435
Anderson extrapolation: theta=1.3576975458 (1.3576975458)
-931.41783583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3937012724 (a.u.)
total exchange computation time: 2.7020230293 s
-154.2950186601
Anderson extrapolation: theta=0.0535702961 (0.0535702961)
-931.41795503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3935829660 (a.u.)
total exchange computation time: 2.7018518448 s
-154.2960585304
Anderson extrapolation: theta=1.9124141715 (1.9124141715)
-931.41795953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3933284924 (a.u.)
total exchange computation time: 2.7038409710 s
-154.2982312420
Anderson extrapolation: theta=0.2155818038 (0.2155818038)
-931.41796415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3932635437 (a.u.)
total exchange computation time: 2.7015450001 s
-154.2987343750
Anderson extrapolation: theta=1.8222664635 (1.8222664635)
-931.41796497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3931621737 (a.u.)
total exchange computation time: 2.7021341324 s
-154.2994700756
Anderson extrapolation: theta=0.2774170004 (0.2774170004)
-931.41796592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3931519266 (a.u.)
total exchange computation time: 2.7017979622 s
-154.2994961640
Anderson extrapolation: theta=1.3056385253 (1.3056385253)
-931.41796615
-117.637660 68.296083 97.423275
559.144266 1031.574917 -409.845962
441.506607 1099.870999 -312.422686
1225.663997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341481882
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3931522118 (a.u.)
total exchange computation time: 2.7012510300 s
679.19181306
-1084.30223940
89.82488477
-388.82125173
-174.91802080
78.60704308
551.60419304
0.00000000
-931.41796631
4.07007858 -31.30030044 -2.21144292
0.00004174 -0.00045459 0.00003089
0.00373557 0.00310342 -0.00144942
-11.51630841 -1.51933825 -9.32263883
-0.00016355 0.00023374 -0.00012113
-0.01166147 0.00966626 -0.01074766
-37.52444104 2.40375244 0.23582025
-0.00002173 -0.00011907 0.00013631
-0.00856843 0.01380349 -0.00621184
-11.73054746 -4.20901402 3.99785201
-0.00020553 0.00000336 0.00023931
-0.01331914 0.01385551 0.00777563
4.08618046 -4.04268758 8.92548926
-0.00022945 -0.00024375 -0.00038928
0.00001095 -0.01944086 -0.01739683
-32.58101547 -0.30873970 -0.08969279
-0.00064622 0.00001198 0.00045462
0.01223110 -0.03590658 -0.01369268
14.30925304 12.47470896 -13.57257858
-0.00030519 -0.00003201 0.00011535
0.03405414 0.01804531 -0.04079317
-7.74597336 6.08162927 2.68556494
-0.00006610 0.00011808 0.00012205
0.00569020 -0.01131148 -0.02884954
7.32397621 12.26528852 -6.06560352
-0.00031802 -0.00036863 -0.00023846
0.01629867 0.00096294 0.00552581
8.81240565 9.93987705 -19.06438629
-0.00006411 -0.00000881 -0.00012700
0.00198541 -0.01835863 -0.00390014
23.16716172 17.33242014 -2.31268376
0.00007040 -0.00003817 -0.00026905
0.01093676 -0.00159513 -0.00389412
2.09531061 16.82172663 -19.63908769
-0.00009962 0.00010858 -0.00011309
0.00320502 0.00447421 -0.03116680
13.98113733 -0.95410609 -5.79603467
0.00007078 0.00022449 -0.00018752
0.01597934 -0.00589138 0.01908102
-16.05710645 -1.37624486 3.23939508
0.00000054 -0.00009476 -0.00006602
0.00506938 -0.00016076 -0.00070380
-16.21571473 -2.19408070 18.80936949
0.00038385 -0.00029334 -0.00013845
-0.01579256 -0.00870553 -0.02247019
0.49543225 2.11076310 -4.73692738
-0.00007804 0.00005900 0.00024156
-0.03486658 0.00938831 -0.00391419
22.75305724 -7.09479756 -8.81039177
-0.00011476 0.00009797 0.00003100
-0.00466977 -0.01067217 -0.00357578
-0.76589989 -6.32884470 7.29792554
0.00005648 -0.00010997 0.00002278
0.01260117 -0.00930020 -0.01569003
-1.75509817 -1.38106476 -19.33893522
0.00003403 -0.00015731 -0.00003420
-0.00053156 -0.01884578 -0.01192622
3.16653826 1.70667048 -9.27923500
-0.00015417 -0.00028025 0.00018265
-0.00890057 -0.01585000 0.03056396
-3.67604135 17.70777481 12.31732947
0.00032845 -0.00003475 0.00002973
-0.05075431 0.04682257 0.01440553
-3.83037410 5.09706773 -11.17806625
-0.00032645 0.00014416 -0.00032756
-0.02713076 0.01137159 -0.00103874
-7.90068751 2.75357669 -8.90134037
0.00017135 -0.00006245 0.00002561
0.01279979 0.00521875 -0.00238046
2.44937404 27.50543143 8.84962315
0.00008417 0.00012723 0.00036973
0.01095753 -0.00203410 -0.02087108
9.52379532 -6.24077823 -1.76597606
-0.00030845 -0.00010123 0.00010984
-0.00417282 -0.00219108 -0.00253756
-8.69213155 0.77446696 6.11260555
0.00018023 -0.00018453 0.00029089
0.02964078 0.00037099 -0.00905627
20.46252802 10.88071584 8.74321114
0.00017798 0.00022925 -0.00017001
-0.00112741 0.01148237 0.00706091
-1.99140255 -2.19008030 -27.56058639
0.00012050 -0.00003747 -0.00034280
-0.05134136 0.01956620 0.01819352
-14.24063271 6.14412638 7.96779127
0.00015656 0.00005954 0.00029429
-0.00051319 0.01455166 -0.00439742
-9.60920696 7.23420835 -2.17283822
-0.00015962 -0.00006964 0.00044758
-0.02968941 0.00306773 0.00791094
-1.76409007 -15.18532153 23.26116909
-0.00014638 0.00025385 -0.00042016
-0.00766445 -0.03672399 -0.01600832
-2.70639823 6.31549944 -6.11933948
-0.00006884 -0.00006854 0.00011986
-0.04595860 0.00053137 -0.01144784
-20.30169154 30.37853023 4.17459586
-0.00033429 -0.00073549 0.00004942
0.02263626 -0.00423132 -0.01415190
7.72606669 0.43114494 7.56535000
0.00004403 0.00049661 -0.00034575
-0.00849381 0.02901114 0.00235424
5.75567756 11.37821454 -13.44279501
0.00020678 -0.00050070 0.00027636
0.02352549 -0.01502233 0.01319380
15.57206129 2.77228908 -1.73383310
0.00018261 0.00019945 0.00020416
0.00829937 0.00052186 0.00852389
-4.45466532 13.16379281 -0.78966792
-0.00006270 -0.00031352 -0.00005718
0.01840125 -0.00388822 -0.00610739
4.75436766 12.50262906 2.65473551
0.00012010 0.00005710 -0.00043690
0.04270069 0.01570164 0.00676337
25.09686488 -11.50843994 -9.91727197
0.00006252 0.00003736 0.00014076
-0.04061989 0.00551807 0.03378353
16.78280595 -3.56395482 -0.72566650
0.00025879 0.00031182 -0.00013540
0.02296827 0.01870659 -0.01360881
13.32281416 7.92666168 10.24187039
0.00042196 -0.00028803 0.00022444
0.01223027 -0.01321468 -0.02179014
1.69716854 -14.05546813 17.54618891
0.00021919 -0.00003265 -0.00014142
-0.02246175 -0.01139982 -0.00625975
-3.73975922 -0.71018899 -14.19668467
0.00031743 0.00008848 -0.00005310
-0.03511940 0.01076623 0.05422706
15.00962123 -7.50283628 -8.86060247
-0.00003825 0.00006119 0.00006729
-0.02074336 -0.03945483 0.03421872
8.36346784 -7.04760902 8.95591944
-0.00002742 0.00006582 0.00019381
0.02032023 0.03731555 -0.02551134
-21.09964834 2.33207284 22.84219459
0.00000919 0.00012969 0.00006212
-0.00549521 0.00769264 -0.04196289
25.70534886 -3.15430815 -8.19557900
0.00004539 0.00024914 -0.00017440
0.00321505 0.00656188 0.00664691
9.90090886 -13.91619483 -8.39976512
0.00005758 0.00004061 -0.00030821
0.00493305 -0.03813307 0.00334207
-6.72589110 -12.39657644 16.97612920
0.00002551 0.00011607 -0.00007228
0.01349256 0.02177273 0.01151159
7.68225608 3.02550458 -29.31091762
-0.00059555 -0.00039580 -0.00001491
0.00398662 -0.03957036 -0.01377780
11.05493120 15.62587825 15.40901979
0.00020555 0.00027773 -0.00012007
-0.01313647 -0.01717527 -0.03751867
28.74207474 6.29077325 -3.47008936
0.00008467 0.00024833 -0.00010749
0.02026648 -0.00638454 0.01164778
5.33893890 -31.87191453 -3.44545325
-0.00019812 -0.00068762 0.00031492
-0.00610723 0.00362060 0.00269065
4.82103831 -31.34412034 -0.49357767
0.00029969 -0.00064145 -0.00046414
-0.00999438 -0.00524294 -0.00871966
-12.06431714 -3.22973280 -9.16026203
-0.00038665 -0.00019722 -0.00040412
-0.00541867 -0.01794231 0.00186404
-12.33187191 -0.86561367 -10.83113386
0.00031206 0.00127459 -0.00065381
0.00411417 -0.00153579 0.00285235
-38.99591575 2.16046196 1.32414063
0.00028699 0.00064846 0.00016875
0.00929698 0.00333425 -0.01114702
-37.92763896 3.84542275 -0.89219677
-0.00019044 0.00085614 -0.00049088
0.00283933 -0.00648977 0.00605388
-10.75746571 -5.54574523 3.25044804
0.00042406 -0.00043583 -0.00084145
0.00961322 -0.00967644 -0.00341768
-10.68539993 -2.71179232 3.97695241
0.00072972 0.00006819 0.00069447
0.00227216 -0.00054785 0.00204745
4.30299227 -2.34860841 8.36873853
-0.00044175 0.00088732 -0.00025098
0.00317730 0.01310209 -0.00294942
3.75300460 -3.96022616 10.69872044
-0.00068937 -0.00078293 -0.00040522
0.00308376 0.00121769 0.01514283
-34.13025151 -1.23641742 0.06286680
-0.00068118 0.00055927 0.00039929
-0.00284290 -0.00471150 -0.00334366
-33.01441412 1.22070619 0.65826245
-0.00040393 0.00114827 -0.00072075
-0.00982749 0.03735001 0.01480234
13.60547609 12.86488962 -15.30661299
-0.00011658 0.00023276 0.00170120
0.01075041 -0.00430612 0.02459909
16.20431705 12.55516244 -13.91606415
0.00051703 0.00029012 -0.00122159
-0.03873990 -0.00818153 0.00883742
-8.38835430 7.58366472 1.79119503
0.00064096 0.00051048 0.00034948
0.00852685 -0.01805245 0.00237773
-7.31168181 4.82878472 1.27160500
0.00030479 -0.00092447 -0.00037340
-0.01179542 0.02481406 0.02713767
6.22611357 12.44034297 -7.47932274
0.00007965 0.00010710 -0.00099955
-0.01283745 -0.00214370 -0.01024460
8.77098448 13.37997722 -6.52441018
0.00028248 0.00016270 0.00041260
0.00245496 0.00721778 0.00314441
8.59515345 8.46703698 -20.15070357
0.00063466 -0.00083601 -0.00001628
0.00688155 0.00938552 0.00475942
10.45327316 10.75650440 -19.39388645
0.00113657 -0.00086610 0.00043909
-0.00629531 -0.00165550 -0.00145146
24.13558622 15.78401195 -2.77817156
-0.00020079 0.00052588 0.00017554
-0.00227495 0.00464585 0.00218905
24.25045214 18.72236430 -2.84802427
-0.00112176 0.00068308 -0.00081102
0.00798832 -0.00870988 0.00431200
1.64054527 17.02566321 -21.56123699
-0.00057817 0.00007857 0.00030084
0.01250304 -0.01120268 0.03886408
3.58164741 15.66305678 -19.48209454
0.00025669 -0.00039650 0.00050223
-0.02137972 0.00959184 -0.00457848
12.81283473 -1.59971895 -7.05896476
0.00088224 -0.00088374 0.00007855
-0.00643696 0.00303913 0.00463331
13.24320262 -0.93121386 -4.11433539
-0.00123794 -0.00038489 -0.00014785
-0.00542035 -0.00474576 -0.01385999
-17.70088783 -1.93549487 2.81624975
-0.00132779 0.00033397 0.00095118
-0.02351128 -0.00855287 -0.00139090
-15.00520377 -2.77521851 2.73399985
-0.00019507 -0.00025959 -0.00005684
0.01043200 -0.00345064 0.00953146
-16.62888992 -0.72510819 19.74260618
0.00068142 0.00030156 -0.00101743
0.00329987 0.02309286 0.01340842
-15.07194011 -3.14905805 19.80286451
0.00102763 -0.00026441 0.00037486
0.01255194 -0.01187706 0.00872076
-0.41462473 0.50397821 -4.94720611
0.00075082 0.00025893 -0.00025093
0.00456880 -0.01285644 -0.00087858
-1.06432200 3.16244684 -5.01189437
0.00021783 0.00009597 -0.00024591
0.02651308 0.00541571 0.00140126
23.55848004 -8.74256112 -9.22542612
0.00128108 -0.00006121 -0.00030298
0.00388619 0.01689770 0.00592977
23.97335202 -5.77474112 -8.34386239
0.00023047 -0.00009188 0.00060670
-0.00252657 -0.00953900 -0.00468184
-0.09956381 -6.30587356 5.54667265
-0.00132305 0.00004361 -0.00034153
-0.00735497 0.00340634 0.01384797
0.80239999 -6.43175881 8.26241505
0.00019815 0.00014000 -0.00000756
-0.00680807 0.00921158 -0.00065858
-0.29967328 -2.54992274 -19.55534543
0.00001978 0.00115071 0.00009068
-0.02013130 0.01095127 0.00621368
-3.11062240 -2.05058159 -20.45920508
-0.00065589 -0.00018264 -0.00000435
0.01814184 0.00317959 0.00754025
2.85350395 3.12563164 -10.35367611
0.00029116 0.00037319 0.00070486
-0.00898588 0.00960990 -0.01453855
1.94997617 1.68579599 -7.81184773
0.00009247 -0.00031413 -0.00060933
0.01354796 0.01774859 -0.01573001
-2.24536919 16.69660499 12.30051126
-0.00012590 -0.00012439 0.00020995
0.04874943 -0.03130680 0.00315431
-3.69025200 18.49165689 14.01872887
0.00054534 -0.00003237 0.00021086
0.01280372 -0.00095451 -0.01741828
-5.49010081 5.96950345 -11.07004878
0.00098693 -0.00029678 -0.00000276
0.01535614 0.00731033 -0.00534446
-4.29283472 3.75857057 -12.32111354
0.00087773 0.00066255 0.00073641
0.01447060 -0.00848859 -0.00681617
-7.71840385 1.48459460 -7.51569847
-0.00022573 -0.00131516 -0.00026180
0.00016543 0.01237956 -0.01236025
-6.20559140 3.24508567 -9.49111639
-0.00067174 -0.00078018 0.00074055
-0.01652114 -0.01198507 0.01677082
3.05588887 27.77351038 7.08847801
0.00037032 -0.00092812 -0.00040718
-0.01358992 -0.00377891 0.02490606
1.21124912 28.80567772 9.09534873
0.00065757 0.00017460 -0.00005004
-0.00447321 0.00223369 0.00162698
10.55717547 -7.29938725 -0.69876625
-0.00049371 0.00092495 0.00005115
0.00606508 0.00157733 0.00768130
8.41146923 -7.44632378 -2.57140832
-0.00002347 -0.00030724 0.00083680
-0.00285199 0.00342683 -0.00163290
-7.06791545 0.15219970 6.86096250
-0.00021525 -0.00024994 -0.00005753
-0.01407239 0.00442235 -0.00334057
-10.04355320 0.33571834 7.19339857
-0.00123019 0.00122872 -0.00001525
-0.01403534 -0.01305725 0.01522664
21.27144997 10.93108601 10.39972409
-0.00076001 0.00097382 0.00053408
-0.00147786 -0.00470274 -0.00836741
20.43330810 12.69399355 8.28959570
-0.00049613 -0.00074473 -0.00018449
0.00698824 -0.00731564 -0.00395321
-1.00220578 -3.19504711 -26.44156723
0.00084189 -0.00035590 0.00038208
0.01326978 -0.02510748 0.00614518
-3.53720332 -2.00583218 -26.45082889
0.00044341 0.00022099 0.00056898
0.02009673 0.00001915 -0.02327979
-13.60276840 7.15557947 9.36413946
0.00075872 -0.00066582 0.00071637
-0.00310296 -0.00638773 0.00042803
-15.40309432 7.37248873 7.20575177
0.00026643 0.00005905 0.00011887
0.01019606 -0.00885453 0.00502034
-11.31338195 7.92342200 -2.35689643
-0.00044075 -0.00010584 0.00101763
0.00173422 -0.01561230 0.00640119
-8.82703084 8.16144415 -3.52017870
-0.00062836 -0.00036139 0.00027612
0.02015603 0.00809003 -0.01334722
-1.11004631 -16.88095777 22.69033992
-0.00016339 0.00067975 -0.00061891
0.00473003 0.02469111 0.00763376
-3.50766892 -15.66757981 23.58294296
0.00172988 0.00050849 -0.00036402
0.00082348 0.01128108 0.00587183
-2.73880297 6.38022453 -7.98619796
-0.00062450 -0.00033544 0.00029057
0.00709765 -0.00703341 0.01415796
-4.56266371 6.64239143 -5.75896128
-0.00028278 -0.00032834 0.00092889
0.03805457 -0.00123147 -0.00005397
-21.68517122 29.77192864 3.13043574
-0.00036397 0.00051819 0.00048908
-0.00433486 -0.00516862 -0.01474397
-21.24536417 30.91820733 5.56135601
-0.00036866 -0.00017750 -0.00086032
-0.01632101 0.01833212 0.03474375
6.87248430 0.08676397 5.96102314
0.00064960 -0.00054669 0.00048042
0.00796804 -0.01612467 -0.00380939
7.24107329 2.21822136 7.74310669
-0.00024869 0.00017776 0.00058709
0.00890007 -0.00897260 0.01086752
7.05450908 12.76700830 -13.13330661
-0.00073032 -0.00058147 0.00106870
-0.00947637 -0.01057265 -0.01363843
4.83695849 11.83125544 -14.89715685
0.00001265 0.00060798 -0.00118832
-0.01001720 0.00789100 -0.01706693
14.26417883 3.86215438 -2.38367296
-0.00019000 0.00034643 0.00104780
-0.00549102 0.00318394 -0.00512810
14.82563513 1.10413332 -1.64295564
-0.00046576 -0.00049668 0.00096942
0.00131958 0.00775140 0.00177468
-2.85929687 12.49937707 -0.18399647
-0.00042334 -0.00107321 0.00066878
0.00027736 0.00226413 -0.00789159
-5.50251252 12.97636912 0.69003632
-0.00001856 -0.00031038 0.00032734
-0.01514822 -0.00130951 0.00494113
3.34209923 11.47259485 2.83125555
0.00017797 0.00109922 -0.00132029
-0.03792045 -0.02879492 0.00486620
6.21449211 11.33339080 3.03934932
-0.00091307 0.00032966 0.00004738
-0.00419357 0.01741749 -0.00542122
25.22591571 -12.51328788 -8.41206556
-0.00034360 -0.00016620 -0.00053128
0.00312809 -0.00775510 0.00264344
26.50988997 -11.53630398 -11.04695106
-0.00115141 0.00068759 -0.00062997
0.01900819 -0.00391224 -0.02004127
15.47797461 -3.04940153 0.36591481
0.00119024 0.00120950 0.00078777
-0.02326836 0.00159681 0.01197369
16.95588157 -5.35854147 -0.66590929
-0.00000355 -0.00047789 -0.00040647
0.00076660 -0.01855381 0.00142858
12.11841356 7.90207584 11.59860391
0.00014007 0.00069905 -0.00117773
-0.00655894 0.00577815 0.01386525
13.38359335 9.67204665 9.62523634
-0.00019142 -0.00027103 -0.00019328
0.00571016 -0.00408047 0.00182232
-0.11888577 -14.60959394 17.45673119
0.00026126 0.00021706 0.00011493
0.02232104 -0.00181668 -0.00913748
1.51730565 -12.63946091 18.62251270
0.00036627 -0.00026317 0.00071638
0.00931887 0.02079533 0.01301736
-3.98680477 -1.98345109 -12.82564168
0.00028353 0.00024077 0.00090269
0.00942479 0.01274183 -0.01743237
-3.10182700 -1.54733212 -15.59605931
0.00062138 -0.00071953 0.00141912
0.02088373 -0.02149853 -0.03419873
14.79982098 -8.14488941 -10.49473498
0.00007869 0.00051047 -0.00002514
-0.00488508 -0.01031100 -0.03623248
16.24244813 -6.20677550 -8.92617534
-0.00056475 -0.00083307 0.00008077
0.02713073 0.02516240 -0.01055027
6.98308301 -5.93597767 8.34706797
0.00012517 0.00091072 -0.00017552
-0.00134775 -0.00271647 0.01642261
9.69371030 -6.50250924 7.75437181
0.00071173 0.00028702 -0.00002589
-0.00898922 -0.01132430 0.01447759
-21.61286144 2.01575341 21.01424553
0.00127164 0.00031057 0.00000088
0.01644974 0.00792606 0.02789927
-22.39226588 1.50518533 23.80349680
-0.00013113 -0.00021619 0.00018502
-0.00821764 -0.01415779 0.00959109
26.78959140 -2.96101152 -6.71158212
0.00026648 0.00012729 -0.00020170
-0.00247005 0.00389606 -0.00750830
25.30883358 -1.45354254 -8.87117039
0.00040013 -0.00011487 -0.00025444
0.00778564 -0.00796787 0.00668584
9.99559836 -15.73182972 -7.84655771
0.00038454 -0.00009702 -0.00031858
-0.00837769 0.03276695 -0.00310806
9.41534070 -12.86242667 -6.98853334
0.00003040 0.00034036 -0.00067818
-0.00690098 -0.00302679 0.00036078
-5.89257432 -11.29193464 18.25357324
0.00060926 0.00055539 0.00036902
-0.00759063 -0.01246161 -0.01077431
-6.86530994 -11.29471516 15.52021184
0.00046844 0.00049957 0.00018283
-0.00170333 -0.00059005 -0.00132731
8.42653536 1.30140448 -29.54309815
0.00083510 -0.00028799 -0.00019743
0.00286341 0.02732819 0.00885402
6.02029714 2.64373182 -30.07609103
0.00032756 -0.00083753 -0.00025808
0.00008747 0.01014728 0.00213744
12.69364541 14.95133444 14.49574841
-0.00096899 0.00013807 0.00041779
-0.01428128 0.02185256 0.02110222
11.26744874 16.04392672 17.12474224
0.00056524 0.00073016 0.00086823
0.00966946 0.00481706 0.02334276
29.30489954 4.97680676 -4.69461616
-0.00030551 0.00046959 -0.00058389
-0.01406774 0.01085263 0.00465370
27.02553583 6.83900455 -3.77421089
0.00064614 0.00045644 0.00016188
-0.00565235 -0.00467940 -0.00893326
-9.95152303 4.94709869 6.53000809
-0.00001857 0.00022993 -0.00021692
0.00139211 0.00862361 0.00145132
-8.80270160 13.36130147 2.59693336
-0.00013170 0.00004442 0.00001845
-0.00284205 -0.00431655 0.00431707
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09515474
0.32281157
430.13023002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3925685409 (a.u.)
total exchange computation time: 2.6391642094 s
-154.2701725782
-931.41675401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3922999657 (a.u.)
total exchange computation time: 2.6388170719 s
-154.2732676976
Anderson extrapolation: theta=1.3534645889 (1.3534645889)
-931.41694878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3918366264 (a.u.)
total exchange computation time: 2.6392729282 s
-154.2782717609
Anderson extrapolation: theta=0.0521775973 (0.0521775973)
-931.41706600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3917327963 (a.u.)
total exchange computation time: 2.6408178806 s
-154.2792121839
Anderson extrapolation: theta=1.8742205477 (1.8742205477)
-931.41707022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3915117984 (a.u.)
total exchange computation time: 2.6383430958 s
-154.2811473477
Anderson extrapolation: theta=0.2103940866 (0.2103940866)
-931.41707432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3914556439 (a.u.)
total exchange computation time: 2.6400711536 s
-154.2815878035
Anderson extrapolation: theta=1.8515308553 (1.8515308553)
-931.41707503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3913673865 (a.u.)
total exchange computation time: 2.6400189400 s
-154.2822316247
Anderson extrapolation: theta=0.2846861531 (0.2846861531)
-931.41707587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3913589426 (a.u.)
total exchange computation time: 2.6383938789 s
-154.2822450783
Anderson extrapolation: theta=1.3289758503 (1.3289758503)
-931.41707608
-117.669408 68.284383 97.474241
559.182975 1031.591618 -409.811937
441.513567 1099.876001 -312.337696
1225.649332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3913605327 (a.u.)
total exchange computation time: 2.6392049789 s
679.16792509
-1084.24455024
89.82295045
-388.85996318
-174.91207783
78.57115179
551.60419304
0.00000000
-931.41707624
4.07071915 -31.30710726 -2.21098518
0.00004326 -0.00045289 0.00003004
0.00217672 0.00347832 -0.00185545
-11.51880670 -1.51579493 -9.32449726
-0.00017018 0.00023831 -0.00012731
-0.01411650 0.00812600 -0.01326184
-37.52480011 2.40201964 0.23784089
-0.00002598 -0.00011040 0.00013160
-0.00795276 0.01991913 -0.01208484
-11.73368179 -4.20891017 4.00147163
-0.00021050 0.00000978 0.00024238
-0.00600568 0.01109478 0.00416545
4.08273881 -4.04641879 8.91958296
-0.00022917 -0.00025170 -0.00039882
0.00106843 -0.01148553 -0.01968828
-32.59066163 -0.30869854 -0.08292624
-0.00063964 -0.00000505 0.00044805
0.01337258 -0.03031118 -0.01189047
14.30480650 12.47429842 -13.57100571
-0.00028553 -0.00002302 0.00009584
0.04239842 0.01691239 -0.03506172
-7.74694293 6.08335691 2.68728434
-0.00006284 0.00011132 0.00010661
0.00700276 -0.01500422 -0.03117149
7.31926871 12.25976283 -6.06915912
-0.00030936 -0.00036741 -0.00023652
0.01738431 0.00375607 0.00201579
8.81145164 9.93967408 -19.06630637
-0.00006218 -0.00001865 -0.00012976
0.00550630 -0.01988695 -0.00681047
23.16825990 17.33184149 -2.31673458
0.00007527 -0.00003801 -0.00027076
0.00802101 0.00218461 -0.00274208
2.09382860 16.82337259 -19.64090424
-0.00009737 0.00011032 -0.00012854
0.00554873 0.00229152 -0.02891409
13.98226067 -0.95076150 -5.79877391
0.00007867 0.00022149 -0.00017641
0.01471583 -0.00577992 0.02411377
-16.05707879 -1.37766690 3.23840202
0.00000140 -0.00009525 -0.00006666
-0.00172981 -0.00172966 -0.00178772
-16.21001786 -2.19851443 18.80720603
0.00037672 -0.00029866 -0.00014922
-0.01195255 -0.01197123 -0.01941621
0.49412711 2.11168428 -4.73331910
-0.00009524 0.00006439 0.00023964
-0.03201052 0.01159892 -0.00354381
22.75131781 -7.09336924 -8.80994056
-0.00011601 0.00009169 0.00002902
-0.00020585 -0.01373586 -0.00411226
-0.76500405 -6.33053011 7.29820668
0.00006267 -0.00011471 0.00001503
0.01146192 -0.00912804 -0.01444041
-1.75458979 -1.38349712 -19.33949415
0.00003214 -0.00016611 -0.00004044
-0.00679909 -0.01537927 -0.01235106
3.16419133 1.70240559 -9.27637731
-0.00015823 -0.00028799 0.00019717
-0.00687027 -0.01426558 0.02588144
-3.67131039 17.70743421 12.31783091
0.00030203 -0.00001034 0.00003727
-0.05200092 0.04810946 0.01491523
-3.83537549 5.09927398 -11.18298359
-0.00033763 0.00015106 -0.00032640
-0.01634691 0.01546262 0.00551952
-7.89806791 2.75266011 -8.90096541
0.00017613 -0.00006094 0.00002562
0.00579347 0.00063652 0.00240852
2.45067885 27.50733207 8.85508852
0.00009077 0.00012555 0.00035802
0.01471661 -0.00451501 -0.02463660
9.51915251 -6.24230511 -1.76433826
-0.00031095 -0.00010113 0.00010795
-0.00554562 0.00259269 -0.00479532
-8.68931369 0.77170046 6.11693390
0.00019377 -0.00018428 0.00028643
0.02301026 0.00059867 -0.00825342
20.46519343 10.88419881 8.74068819
0.00017756 0.00023370 -0.00016558
-0.00051665 0.00584009 0.01017198
-1.98979307 -2.19056694 -27.56565814
0.00009514 -0.00002859 -0.00033184
-0.04728661 0.01497792 0.02441783
-14.23828623 6.14507559 7.97218862
0.00015651 0.00006687 0.00029217
0.00031495 0.01396952 -0.00382637
-9.61171582 7.23317560 -2.16609406
-0.00017527 -0.00006812 0.00045185
-0.03117038 0.00284661 0.00872517
-1.76631537 -15.18165544 23.25480489
-0.00014710 0.00023630 -0.00042890
0.00487657 -0.03151188 -0.01796124
-2.70760814 6.31447341 -6.11758572
-0.00009275 -0.00006829 0.00011450
-0.04701636 0.00044825 -0.00940451
-20.30661857 30.36748151 4.17528261
-0.00032150 -0.00073760 0.00004197
0.02708487 -0.00397790 -0.01484836
7.72669434 0.43870604 7.56017290
0.00004054 0.00051137 -0.00034306
-0.00506914 0.02838612 0.00810466
5.75887007 11.37064608 -13.43859875
0.00021648 -0.00050786 0.00028005
0.01415992 -0.01280966 0.00115883
15.57483245 2.77528277 -1.73073776
0.00018607 0.00019821 0.00020873
0.00516234 -0.00533612 0.00923135
-4.45553485 13.15907499 -0.79054915
-0.00005324 -0.00031578 -0.00005955
0.01839855 -0.00488258 -0.00311189
4.75633382 12.50354613 2.64820809
0.00014238 0.00006667 -0.00043357
0.04396022 0.02150305 0.00618501
25.09764601 -11.50785819 -9.91503030
0.00004069 0.00004098 0.00015790
-0.04427586 0.00853357 0.03288811
16.78677642 -3.55920543 -0.72774997
0.00027048 0.00032004 -0.00014219
0.02247092 0.01327744 -0.01281292
13.32919075 7.92229031 10.24515289
0.00042917 -0.00029429 0.00021192
0.01580241 -0.01112840 -0.02688698
1.70036980 -14.05600192 17.54404348
0.00020773 -0.00003776 -0.00014410
-0.02210668 -0.00845752 -0.00414913
-3.73513323 -0.70882023 -14.19727198
0.00029874 0.00009412 -0.00002350
-0.03758089 0.01116119 0.06088970
15.00896749 -7.50207068 -8.85946114
-0.00005003 0.00003956 0.00008476
-0.02508902 -0.04465367 0.03371355
8.36313490 -7.04647779 8.95872813
-0.00001672 0.00008578 0.00017977
0.02127791 0.04031098 -0.02906242
-21.09953165 2.33404784 22.84296449
0.00000625 0.00013348 0.00004149
-0.00595454 0.00706265 -0.03824445
25.70604213 -3.15054580 -8.19816935
0.00004730 0.00025188 -0.00017061
0.00422015 0.00411024 0.00808702
9.90179161 -13.91573282 -8.40437531
0.00006019 0.00002083 -0.00030673
0.00522762 -0.03878341 0.00240848
-6.72545648 -12.39475141 16.97508937
0.00003297 0.00012800 -0.00006548
0.01555494 0.02460812 0.01495787
7.67333824 3.01941498 -29.31119440
-0.00059209 -0.00041644 -0.00002165
0.00944701 -0.04070979 -0.01244198
11.05796371 15.62997801 15.40707401
0.00019814 0.00026981 -0.00013633
-0.01567040 -0.01363109 -0.02570252
28.74342289 6.29447356 -3.47165678
0.00009595 0.00024466 -0.00010137
0.02362671 -0.00786640 0.01215219
5.33577994 -31.88211790 -3.44064693
-0.00022094 -0.00067388 0.00032229
-0.00506167 0.00310527 0.00091569
4.82522735 -31.35390272 -0.50080698
0.00026010 -0.00066214 -0.00049607
-0.00938108 -0.00488622 -0.00690780
-12.07028287 -3.23324089 -9.16626676
-0.00040704 -0.00026204 -0.00039862
-0.00456244 -0.01378726 0.00083139
-12.32706501 -0.84654188 -10.84085363
0.00033209 0.00126321 -0.00063482
0.00569328 -0.00403633 0.00644403
-38.99132595 2.17029098 1.32633032
0.00032062 0.00066066 0.00012649
0.00716463 0.00263929 -0.00954229
-37.93040848 3.85806605 -0.89937440
-0.00017550 0.00081887 -0.00045815
0.00447200 -0.01175800 0.00996650
-10.75081021 -5.55257922 3.23772153
0.00045392 -0.00046331 -0.00084785
0.00500519 -0.00377322 0.00028532
-10.67438448 -2.71078630 3.98743222
0.00073345 0.00005930 0.00070290
-0.00044693 -0.00380036 0.00207993
4.29646333 -2.33489715 8.36488350
-0.00043105 0.00092420 -0.00025695
0.00206287 0.00495271 0.00002500
3.74275850 -3.97193273 10.69310612
-0.00067660 -0.00077736 -0.00034451
0.00316873 0.00150772 0.01457458
-34.14055635 -1.22817271 0.06875366
-0.00069656 0.00053870 0.00038678
-0.00468358 -0.00535955 -0.00277774
-33.02077427 1.23907476 0.64790478
-0.00044238 0.00129121 -0.00066531
-0.00899280 0.03262149 0.01233707
13.60405687 12.86824910 -15.28034121
-0.00008041 0.00021848 0.00178634
0.00695086 -0.00268738 0.01707934
16.21088534 12.55926359 -13.93411723
0.00034908 0.00025580 -0.00118144
-0.04347157 -0.00862260 0.01081881
-8.37847855 7.59076873 1.79651011
0.00067549 0.00043647 0.00035783
0.00837627 -0.01817391 0.00170965
-7.30747135 4.81567808 1.26683553
0.00025454 -0.00081540 -0.00025617
-0.01280438 0.02857364 0.03024859
6.22691501 12.44188382 -7.49463000
0.00003194 0.00009777 -0.00103545
-0.01051844 -0.00242686 -0.00732644
8.77529686 13.38263894 -6.51812489
0.00028618 0.00018753 0.00042667
-0.00064033 0.00493483 0.00374473
8.60488416 8.45478436 -20.15080194
0.00066258 -0.00079202 0.00000768
0.00678519 0.01215225 0.00697142
10.47012875 10.74346210 -19.38734454
0.00110377 -0.00087504 0.00043483
-0.00975938 -0.00271971 -0.00063691
24.13250473 15.79204252 -2.77547143
-0.00020532 0.00053892 0.00018147
0.00005437 0.00173758 0.00071303
24.23387061 18.73234363 -2.86005741
-0.00108761 0.00064603 -0.00079268
0.00872388 -0.00942914 0.00466382
1.63225588 17.02649849 -21.55553346
-0.00052575 0.00003258 0.00045739
0.01315395 -0.01130851 0.03777019
3.58484258 15.65740315 -19.47470138
0.00016374 -0.00035250 0.00048123
-0.02411784 0.01194738 -0.00570095
12.82587104 -1.61288192 -7.05764453
0.00085363 -0.00087306 0.00009366
-0.00756421 0.00218813 0.00276416
13.22446746 -0.93713268 -4.11697789
-0.00125536 -0.00040329 -0.00021075
-0.00310778 -0.00425813 -0.01692720
-17.72152519 -1.93074734 2.83047489
-0.00140758 0.00030244 0.00094844
-0.01554312 -0.00688200 0.00004759
-15.00781018 -2.77921808 2.73343928
-0.00015446 -0.00027398 -0.00001835
0.00944602 -0.00359324 0.00931061
-16.61856750 -0.71987718 19.72775554
0.00069535 0.00039528 -0.00096237
0.00352059 0.02278554 0.01354400
-15.05614105 -3.15338822 19.80875465
0.00107042 -0.00030573 0.00040385
0.00839491 -0.00834599 0.00546988
-0.40322247 0.50746815 -4.95099698
0.00076576 0.00020174 -0.00025485
0.00274472 -0.01513904 -0.00104176
-1.06024206 3.16405234 -5.01554012
0.00032393 0.00011860 -0.00023982
0.02541985 0.00566299 0.00158166
23.57781528 -8.74296142 -9.22978917
0.00129116 0.00001416 -0.00027671
0.00104961 0.01999625 0.00693225
23.97673157 -5.77641166 -8.33490532
0.00021693 -0.00013178 0.00058655
-0.00410033 -0.00999235 -0.00518424
-0.11963490 -6.30511501 5.54197408
-0.00135018 0.00005755 -0.00028534
-0.00592470 0.00341471 0.01365738
0.80516367 -6.42937653 8.26228150
0.00016959 0.00017758 -0.00001278
-0.00717293 0.00918183 -0.00189822
-0.29999353 -2.53232654 -19.55379478
-0.00005497 0.00118728 0.00011373
-0.01645846 0.00694983 0.00506697
-3.11990479 -2.05322380 -20.45903921
-0.00057591 -0.00016859 0.00002930
0.02100854 0.00369714 0.00893135
2.85759596 3.13152401 -10.34354877
0.00025518 0.00041014 0.00064681
-0.00862658 0.00847692 -0.01387465
1.95177831 1.68162797 -7.82146977
0.00014271 -0.00024218 -0.00066674
0.01104881 0.01747133 -0.01236853
-2.24576389 16.69377974 12.30375715
0.00007602 -0.00025438 0.00022233
0.05009093 -0.03232223 0.00290500
-3.68167959 18.49114216 14.02135796
0.00059706 -0.00003698 0.00013849
0.01251626 -0.00130383 -0.01800483
-5.47482634 5.96527581 -11.07025390
0.00103408 -0.00025999 -0.00002384
0.00772647 0.01069750 -0.00497482
-4.27922532 3.76824877 -12.31027632
0.00093076 0.00061217 0.00069526
0.01148629 -0.01617607 -0.01332509
-7.72178468 1.46524655 -7.52000423
-0.00022608 -0.00125942 -0.00031603
-0.00033835 0.01490517 -0.01418401
-6.21617369 3.23301571 -9.47949427
-0.00072415 -0.00082403 0.00080270
-0.00913830 -0.00947944 0.01365423
3.06102730 27.75947272 7.08313345
0.00031153 -0.00094341 -0.00029780
-0.01518926 -0.00370264 0.02863911
1.22097554 28.80836517 9.09464803
0.00063486 0.00018878 -0.00004319
-0.00664031 0.00470512 0.00172511
10.54995563 -7.28546464 -0.69776361
-0.00046223 0.00092499 0.00008945
0.00934825 -0.00155890 0.01106582
8.41102985 -7.45082735 -2.55890632
-0.00003882 -0.00029661 0.00082739
-0.00466408 0.00177756 -0.00297235
-7.07157535 0.14858617 6.85999719
-0.00026923 -0.00023406 -0.00006720
-0.01235537 0.00335058 -0.00139461
-10.06243611 0.35374899 7.19363642
-0.00127793 0.00117706 0.00004122
-0.00933337 -0.01222703 0.01241634
21.26000450 10.94554921 10.40747885
-0.00076735 0.00095390 0.00049672
-0.00211229 -0.00504736 -0.00992043
20.42608032 12.68259835 8.28670721
-0.00046750 -0.00076263 -0.00020363
0.00702589 -0.00144273 -0.00541810
-0.98917078 -3.20115499 -26.43564778
0.00088555 -0.00044917 0.00039597
0.00810106 -0.02054789 0.00065751
-3.52993642 -2.00251676 -26.44300761
0.00052710 0.00022071 0.00047191
0.02087126 -0.00015334 -0.02423623
-13.59148263 7.14539643 9.37489813
0.00074385 -0.00069184 0.00071580
-0.00417536 -0.00634809 -0.00070845
-15.39878541 7.37310312 7.20768873
0.00030855 0.00002388 0.00014077
0.01042046 -0.00836199 0.00569649
-11.31994005 7.92135595 -2.34143585
-0.00043099 -0.00017028 0.00104343
0.00304211 -0.01593166 0.00622726
-8.83583854 8.15627124 -3.51644587
-0.00054527 -0.00032679 0.00021955
0.02051435 0.00884749 -0.01434531
-1.11235229 -16.87000491 22.68129016
-0.00014178 0.00077691 -0.00058890
0.00584932 0.02287132 0.00705633
-3.48169552 -15.65960679 23.57766252
0.00170492 0.00054770 -0.00033485
-0.01303852 0.00791132 0.00840849
-2.74795297 6.37497735 -7.98140551
-0.00059573 -0.00036383 0.00034566
0.00698312 -0.00685995 0.01280487
-4.56573929 6.63742854 -5.74502963
-0.00012471 -0.00033352 0.00092693
0.03932073 -0.00130127 -0.00090613
-21.69076359 29.77954307 3.13732020
-0.00038686 0.00049289 0.00042198
-0.00686857 -0.00721563 -0.01810495
-21.25139420 30.91610652 5.54951589
-0.00043847 -0.00009914 -0.00071013
-0.01785252 0.02002975 0.03877394
6.88247252 0.07806945 5.96811268
0.00067663 -0.00061224 0.00045508
0.00526137 -0.01596075 -0.00859179
7.23761572 2.22061287 7.75224603
-0.00021361 0.00014249 0.00062917
0.00827167 -0.00829656 0.00973318
7.04326384 12.75796229 -13.11769410
-0.00076499 -0.00062083 0.00101319
-0.00749428 -0.00869546 -0.01353152
4.83684126 11.84061695 -14.91550464
-0.00001315 0.00063288 -0.00123416
-0.00260940 0.00429609 -0.00537278
14.26116062 3.86744846 -2.36811310
-0.00021200 0.00035875 0.00102670
-0.00528136 0.00284513 -0.00519896
14.81868916 1.09692062 -1.62835997
-0.00045505 -0.00045260 0.00097539
0.00392391 0.01382613 0.00114855
-2.86563844 12.48334834 -0.17420665
-0.00042357 -0.00106274 0.00063439
-0.00039160 0.00286195 -0.00894001
-5.50325504 12.97167323 0.69509777
-0.00007941 -0.00031461 0.00034335
-0.01463939 -0.00075936 0.00289951
3.34360676 11.48820076 2.81160030
0.00001290 0.00097498 -0.00129966
-0.04287961 -0.03201835 0.00523399
6.20066755 11.33886937 3.03989385
-0.00092294 0.00039498 0.00002665
-0.00063869 0.01455836 -0.00472388
25.22085752 -12.51601859 -8.41995379
-0.00032903 -0.00020209 -0.00051486
0.00400445 -0.00981169 0.00539363
26.49320129 -11.52611008 -11.05701474
-0.00106768 0.00067000 -0.00071534
0.02197840 -0.00469442 -0.02174807
15.49511519 -3.03121012 0.37809824
0.00109777 0.00121363 0.00083475
-0.02199395 0.00042541 0.01102647
16.95585180 -5.36627840 -0.67196256
-0.00000235 -0.00054065 -0.00039999
-0.00017971 -0.01216883 0.00174206
12.12031365 7.91273861 11.58136285
0.00010459 0.00072042 -0.00111031
-0.01080816 0.00468335 0.01913586
13.38089706 9.66785613 9.62239293
-0.00016663 -0.00028974 -0.00018623
0.00642356 -0.00507861 0.00163241
-0.11428289 -14.60639377 17.45817520
0.00035062 0.00020881 0.00007713
0.02142261 -0.00222051 -0.00936903
1.52308530 -12.64277125 18.63365730
0.00040510 -0.00018337 0.00076550
0.00968781 0.01826871 0.01102811
-3.98226307 -1.97944902 -12.81263549
0.00032253 0.00029729 0.00082726
0.00966909 0.01492142 -0.01949006
-3.09186641 -1.55878391 -15.57582044
0.00071119 -0.00081302 0.00127037
0.02307964 -0.02426347 -0.03861818
14.80085158 -8.13754828 -10.49622234
0.00005839 0.00046780 -0.00017289
-0.00505033 -0.01057999 -0.03609284
16.23480830 -6.21850048 -8.92528704
-0.00044403 -0.00071943 0.00003858
0.03195886 0.03046357 -0.01010305
6.98491919 -5.92240016 8.34493838
0.00012405 0.00089529 -0.00010646
0.00080258 -0.00483501 0.01738382
9.70411072 -6.49855098 7.75442705
0.00066824 0.00023835 0.00003862
-0.01229780 -0.01250134 0.01710017
-21.59328274 2.02065483 21.01511372
0.00133560 0.00034164 0.00011190
0.01485872 0.00728454 0.02644094
-22.39448466 1.50150864 23.80656604
-0.00016107 -0.00027131 0.00021954
-0.00643836 -0.01282619 0.00730728
26.79351294 -2.95898273 -6.71483776
0.00025584 0.00014316 -0.00023325
-0.00273699 0.00387163 -0.00793307
25.31507408 -1.45550973 -8.87478213
0.00043075 -0.00014317 -0.00022880
0.00720630 -0.00588492 0.00586566
10.00110972 -15.73228102 -7.85143158
0.00035029 0.00003834 -0.00033107
-0.00838959 0.03349728 -0.00300781
9.41558522 -12.85741403 -6.99869500
0.00000157 0.00032817 -0.00067513
-0.00720965 -0.00293821 0.00113400
-5.88366808 -11.28398559 18.25877842
0.00057376 0.00049852 0.00031916
-0.00978601 -0.01538079 -0.01363457
-6.85833556 -11.28723970 15.52291355
0.00046120 0.00049690 0.00017668
-0.00184076 -0.00071708 -0.00168070
8.43914961 1.29792211 -29.54578823
0.00084345 -0.00017197 -0.00016076
0.00122343 0.02946344 0.00909213
6.02521322 2.63147984 -30.07989666
0.00032075 -0.00079799 -0.00025206
-0.00341967 0.00920886 0.00080544
12.67867295 14.95407505 14.50266185
-0.00102127 0.00022477 0.00050098
-0.01130895 0.02059020 0.01962293
11.27622366 16.05502674 17.13848101
0.00060196 0.00074452 0.00094364
0.00830542 0.00221121 0.01357221
29.29988576 4.98418312 -4.70323196
-0.00036248 0.00051375 -0.00056446
-0.01381681 0.01076458 0.00486041
27.03505467 6.84570772 -3.77205644
0.00061584 0.00043972 0.00012416
-0.00918033 -0.00350547 -0.00953022
-9.95179789 4.95057075 6.52675817
-0.00001804 0.00023299 -0.00021641
0.00159354 0.00847706 0.00142228
-8.80468209 13.36196020 2.59721756
-0.00013234 0.00004342 0.00001942
-0.00260887 -0.00427683 0.00406540
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09501583
0.32206041
429.12934532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3912424697 (a.u.)
total exchange computation time: 2.6379671097 s
-154.2550072702
-931.41459055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3909889903 (a.u.)
total exchange computation time: 2.6381628513 s
-154.2579205321
Anderson extrapolation: theta=1.3546558545 (1.3546558545)
-931.41478846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3905399135 (a.u.)
total exchange computation time: 2.6392419338 s
-154.2626857619
Anderson extrapolation: theta=0.0524290702 (0.0524290702)
-931.41490765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3904320538 (a.u.)
total exchange computation time: 2.6379921436 s
-154.2636188881
Anderson extrapolation: theta=1.8703550831 (1.8703550831)
-931.41491198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3902018589 (a.u.)
total exchange computation time: 2.6389288902 s
-154.2655388043
Anderson extrapolation: theta=0.2090552862 (0.2090552862)
-931.41491623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3901426571 (a.u.)
total exchange computation time: 2.6397089958 s
-154.2659758052
Anderson extrapolation: theta=1.8426060381 (1.8426060381)
-931.41491699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3900488250 (a.u.)
total exchange computation time: 2.6392300129 s
-154.2666129655
Anderson extrapolation: theta=0.2817992261 (0.2817992261)
-931.41491791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3900387746 (a.u.)
total exchange computation time: 2.6390779018 s
-154.2666264570
Anderson extrapolation: theta=1.3266231927 (1.3266231927)
-931.41491815
-117.700995 68.272350 97.526654
559.222461 1031.608780 -409.775780
441.521466 1099.881129 -312.249126
1225.634211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3900381903 (a.u.)
total exchange computation time: 2.6836869717 s
679.15176000
-1084.20373111
89.82075795
-388.88648628
-174.90718071
78.54492180
551.60419304
0.00000000
-931.41491835
4.07137651 -31.31388725 -2.21054177
0.00004391 -0.00045100 0.00002894
0.00033926 0.00390481 -0.00242684
-11.52141390 -1.51218893 -9.32645800
-0.00017805 0.00024197 -0.00013468
-0.01646516 0.00609572 -0.01543255
-37.52522053 2.40044051 0.23976830
-0.00002980 -0.00009874 0.00012395
-0.00688685 0.02539869 -0.01765423
-11.73686245 -4.20872073 4.00512338
-0.00021177 0.00001479 0.00024361
0.00105797 0.00840871 0.00062752
4.07930540 -4.05023860 8.91352477
-0.00022840 -0.00025562 -0.00040935
0.00190200 -0.00374222 -0.02126412
-32.60020462 -0.30889122 -0.07625143
-0.00063259 -0.00001885 0.00044253
0.01404286 -0.02336793 -0.00957346
14.30068705 12.47401836 -13.56970334
-0.00026175 -0.00001472 0.00007962
0.05009026 0.01535534 -0.02801863
-7.74785848 6.08496879 2.68876325
-0.00005893 0.00010274 0.00009024
0.00821097 -0.01833917 -0.03249784
7.31469532 12.25426611 -6.07269917
-0.00030022 -0.00036477 -0.00023645
0.01815666 0.00652548 -0.00173308
8.81054011 9.93931770 -19.06827899
-0.00005845 -0.00002921 -0.00013391
0.00900874 -0.02118062 -0.00932953
23.16941996 17.33127970 -2.32080655
0.00007862 -0.00003587 -0.00027188
0.00497523 0.00616217 -0.00161191
2.09238940 16.82503623 -19.64294385
-0.00009401 0.00011102 -0.00014267
0.00754444 0.00042694 -0.02603454
13.98349754 -0.94746150 -5.80132712
0.00008589 0.00021851 -0.00016288
0.01334149 -0.00580646 0.02853229
-16.05706448 -1.37910229 3.23739517
-0.00000130 -0.00009656 -0.00006785
-0.00875746 -0.00338978 -0.00281530
-16.20441320 -2.20304052 18.80489278
0.00037154 -0.00030546 -0.00015825
-0.00817503 -0.01446390 -0.01568087
0.49257501 2.11269495 -4.72973816
-0.00011087 0.00007081 0.00023793
-0.02878258 0.01336036 -0.00310962
22.74957680 -7.09204689 -8.80952107
-0.00011505 0.00008395 0.00002679
0.00394041 -0.01637310 -0.00458027
-0.76401978 -6.33228595 7.29837642
0.00006820 -0.00011936 0.00000798
0.01003020 -0.00894844 -0.01296254
-1.75413386 -1.38604813 -19.34014837
0.00002699 -0.00017298 -0.00004678
-0.01322610 -0.01134124 -0.01229287
3.16179140 1.69803065 -9.27331994
-0.00016115 -0.00029476 0.00020904
-0.00449978 -0.01203159 0.02027087
-3.66698060 17.70746475 12.31844742
0.00027557 0.00001430 0.00004493
-0.05086263 0.04770112 0.01487567
-3.84050300 5.10159953 -11.18785835
-0.00034309 0.00015999 -0.00032191
-0.00488931 0.01924608 0.01196348
-7.89540361 2.75174843 -8.90057186
0.00017704 -0.00006178 0.00002807
-0.00223970 -0.00390817 0.00711973
2.45209720 27.50919788 8.86036383
0.00009916 0.00012261 0.00034462
0.01791684 -0.00692676 -0.02748581
9.51446692 -6.24381199 -1.76273745
-0.00031412 -0.00009861 0.00010493
-0.00681258 0.00719416 -0.00697229
-8.68631832 0.76893859 6.12119858
0.00020363 -0.00018389 0.00028247
0.01532837 0.00092514 -0.00718205
20.46785486 10.88772683 8.73824372
0.00017744 0.00023517 -0.00015958
0.00006397 -0.00011234 0.01316187
-1.98854840 -2.19093803 -27.57054151
0.00007206 -0.00002209 -0.00031780
-0.04246336 0.01030963 0.03016156
-14.23593731 6.14613257 7.97655645
0.00015695 0.00007382 0.00029038
0.00137353 0.01303504 -0.00315572
-9.61446515 7.23216482 -2.15928258
-0.00019150 -0.00006665 0.00045642
-0.03192233 0.00284778 0.00901880
-1.76850305 -15.17823245 23.24830212
-0.00014116 0.00022167 -0.00043864
0.01821244 -0.02538948 -0.01993176
-2.70918077 6.31345085 -6.11590452
-0.00011696 -0.00006811 0.00011024
-0.04711773 0.00024195 -0.00716502
-20.31133665 30.35640210 4.17585482
-0.00030676 -0.00073948 0.00003448
0.03023505 -0.00330711 -0.01425312
7.72728289 0.44648613 7.55505832
0.00003884 0.00052574 -0.00033743
-0.00154209 0.02747222 0.01376284
5.76217181 11.36297880 -13.43439355
0.00022145 -0.00051395 0.00027770
0.00517164 -0.01086694 -0.01029384
15.57764345 2.77823530 -1.72757120
0.00018792 0.00019417 0.00021363
0.00201698 -0.01034786 0.00984281
-4.45626244 13.15431950 -0.79145439
-0.00004387 -0.00031854 -0.00006033
0.01804347 -0.00585617 0.00008544
4.75863911 12.50462909 2.64172837
0.00016472 0.00007897 -0.00043051
0.04290701 0.02633641 0.00573888
25.09808556 -11.50721060 -9.91253491
0.00001727 0.00004612 0.00017443
-0.04677924 0.01144700 0.03140261
16.79092024 -3.55435361 -0.72993229
0.00028171 0.00032552 -0.00014840
0.02120318 0.00801802 -0.01131802
13.33568925 7.91783308 10.24822797
0.00043811 -0.00029952 0.00019694
0.01896633 -0.00924021 -0.03134904
1.70340050 -14.05660095 17.54186604
0.00019659 -0.00004119 -0.00014557
-0.02121985 -0.00486340 -0.00157991
-3.73079716 -0.70736536 -14.19738954
0.00027905 0.00009979 0.00000883
-0.03895325 0.01090088 0.06482134
15.00812020 -7.50164958 -8.85805973
-0.00006382 0.00001543 0.00010162
-0.02853503 -0.04918723 0.03184095
8.36296611 -7.04503558 8.96131262
-0.00000563 0.00010715 0.00016409
0.02184695 0.04279140 -0.03193310
-21.09946090 2.33607732 22.84343935
0.00000303 0.00013693 0.00002304
-0.00655602 0.00632839 -0.03351388
25.70676796 -3.14675174 -8.20069730
0.00004971 0.00025329 -0.00016611
0.00513700 0.00137887 0.00942992
9.90271468 -13.91557001 -8.40896693
0.00006293 0.00000095 -0.00030576
0.00542248 -0.03853050 0.00136111
-6.72490185 -12.39273653 16.97416492
0.00004141 0.00014126 -0.00005705
0.01726618 0.02697560 0.01782598
7.66449329 3.01301131 -29.31156717
-0.00058589 -0.00043747 -0.00002766
0.01466310 -0.04104887 -0.01091035
11.06087534 15.63397262 15.40492994
0.00018928 0.00026381 -0.00014641
-0.01878508 -0.00971619 -0.01348365
28.74495332 6.29811319 -3.47313045
0.00010885 0.00024032 -0.00009497
0.02652044 -0.00903852 0.01273340
5.33231077 -31.89213096 -3.43578448
-0.00023922 -0.00066238 0.00032219
-0.00388995 0.00252545 -0.00096557
4.82884146 -31.36398455 -0.50845965
0.00022335 -0.00068141 -0.00052001
-0.00861036 -0.00454541 -0.00481164
-12.07652822 -3.23759396 -9.17222052
-0.00042362 -0.00030913 -0.00039732
-0.00355632 -0.00926446 -0.00019697
-12.32190920 -0.82771746 -10.85017847
0.00035810 0.00124184 -0.00060184
0.00703769 -0.00642421 0.00970035
-38.98629706 2.18028175 1.32793520
0.00034498 0.00066997 0.00009127
0.00475614 0.00191917 -0.00769478
-37.93290394 3.86998874 -0.90594121
-0.00015427 0.00076139 -0.00041052
0.00592101 -0.01637520 0.01334890
-10.74384797 -5.55964446 3.22501252
0.00046529 -0.00046723 -0.00083921
0.00056034 0.00185386 0.00394308
-10.66339642 -2.71001319 3.99803951
0.00072624 0.00003754 0.00071139
-0.00308189 -0.00685341 0.00207260
4.29006082 -2.32088236 8.36103001
-0.00042473 0.00092827 -0.00025107
0.00103056 -0.00296346 0.00285336
3.73270659 -3.98354689 10.68838503
-0.00066324 -0.00077061 -0.00028721
0.00337184 0.00179560 0.01347609
-34.15114823 -1.22025647 0.07447029
-0.00071917 0.00051578 0.00037657
-0.00638494 -0.00585998 -0.00222002
-33.02768557 1.25944258 0.63830320
-0.00047678 0.00141178 -0.00062099
-0.00784672 0.02639591 0.00935585
13.60306365 12.87144387 -15.25302270
-0.00006093 0.00021155 0.00183840
0.00258481 -0.00070155 0.00840371
16.21478942 12.56283629 -13.95150727
0.00016431 0.00021979 -0.00113357
-0.04697478 -0.00900308 0.01261161
-8.36808946 7.59675894 1.80192998
0.00070905 0.00036287 0.00036307
0.00804762 -0.01785769 0.00085638
-7.30404563 4.80432262 1.26391988
0.00020073 -0.00069256 -0.00012792
-0.01353675 0.03155680 0.03253205
6.22707182 12.44327594 -7.51038626
-0.00000583 0.00008716 -0.00105873
-0.00797231 -0.00276710 -0.00406785
8.77957000 13.38560310 -6.51161009
0.00027740 0.00020313 0.00044297
-0.00366120 0.00270143 0.00423627
8.61503072 8.44327652 -20.15047305
0.00068984 -0.00073753 0.00004001
0.00656153 0.01451667 0.00885417
10.48638622 10.73025312 -19.38084166
0.00105716 -0.00088799 0.00043375
-0.01305447 -0.00361799 0.00011108
24.12942657 15.80017957 -2.77272760
-0.00020012 0.00053968 0.00018129
0.00249134 -0.00136671 -0.00079701
24.21782372 18.74174508 -2.87180473
-0.00105043 0.00060612 -0.00077290
0.00948000 -0.01010329 0.00501842
1.62477265 17.02664070 -21.54751515
-0.00047113 -0.00001364 0.00060811
0.01358670 -0.01131696 0.03600772
3.58655965 15.65248172 -19.46765762
0.00006081 -0.00029974 0.00045581
-0.02626941 0.01387880 -0.00674272
12.83844376 -1.62591078 -7.05615489
0.00082086 -0.00086574 0.00010136
-0.00847710 0.00139640 0.00100613
13.20554184 -0.94331248 -4.12065780
-0.00126352 -0.00041953 -0.00028515
-0.00088613 -0.00369401 -0.01949124
-17.74311514 -1.92642159 2.84470296
-0.00145408 0.00027772 0.00095137
-0.00721975 -0.00522151 0.00138810
-15.00983768 -2.78343787 2.73344932
-0.00011808 -0.00028873 0.00001934
0.00836283 -0.00362964 0.00913986
-16.60802932 -0.71324973 19.71373496
0.00071069 0.00048596 -0.00090783
0.00398803 0.02160186 0.01315468
-15.03982749 -3.15822989 19.81498002
0.00109589 -0.00033243 0.00041925
0.00407463 -0.00472539 0.00207041
-0.39165200 0.51003028 -4.95485170
0.00077340 0.00013579 -0.00025947
0.00099515 -0.01714120 -0.00121584
-1.05460424 3.16600491 -5.01908894
0.00042465 0.00014256 -0.00023313
0.02388696 0.00606547 0.00169094
23.59721485 -8.74213623 -9.23372736
0.00128993 0.00010090 -0.00024664
-0.00165116 0.02246090 0.00778486
23.97985984 -5.77869459 -8.32626598
0.00019724 -0.00017308 0.00056450
-0.00553864 -0.01022390 -0.00560981
-0.14006909 -6.30414719 5.53811251
-0.00137126 0.00007151 -0.00023063
-0.00439780 0.00341861 0.01312077
0.80748775 -6.42643153 8.26203160
0.00013995 0.00021501 -0.00002283
-0.00733807 0.00914267 -0.00301875
-0.30132246 -2.51430441 -19.55193359
-0.00011336 0.00120674 0.00013192
-0.01212395 0.00257512 0.00383675
-3.12789965 -2.05563942 -20.45832598
-0.00048526 -0.00015284 0.00006781
0.02336485 0.00401588 0.00992008
2.86115928 3.13793591 -10.33427175
0.00022096 0.00044131 0.00059221
-0.00812476 0.00678230 -0.01285106
1.95425759 1.67853070 -7.83184983
0.00018175 -0.00017155 -0.00070927
0.00806128 0.01710309 -0.00845062
-2.24308870 16.68897358 12.30718107
0.00027887 -0.00038537 0.00023380
0.04920604 -0.03179704 0.00271134
-3.67234010 18.49054752 14.02288360
0.00064751 -0.00004252 0.00006478
0.01217625 -0.00140890 -0.01807629
-5.45907835 5.96170377 -11.07076390
0.00104855 -0.00020874 -0.00004331
-0.00064583 0.01439027 -0.00455851
-4.26491196 3.77693560 -12.30025575
0.00097171 0.00053031 0.00062767
0.00856194 -0.02389371 -0.01975966
-7.72518625 1.44681198 -7.52517927
-0.00022846 -0.00119396 -0.00037690
-0.00082876 0.01713618 -0.01561237
-6.22731604 3.22036480 -9.46703534
-0.00074431 -0.00085705 0.00085140
-0.00072973 -0.00668248 0.01018388
3.06523484 27.74520814 7.07954407
0.00024692 -0.00095808 -0.00017494
-0.01644014 -0.00347793 0.03150238
1.23029501 28.81134098 9.09405305
0.00060375 0.00021259 -0.00003600
-0.00858938 0.00695167 0.00179534
10.54330871 -7.27163757 -0.69608279
-0.00041767 0.00091260 0.00014126
0.01246066 -0.00450472 0.01429734
8.41030463 -7.45522198 -2.54658649
-0.00006143 -0.00029274 0.00081267
-0.00640448 0.00011747 -0.00423419
-7.07599246 0.14517798 6.85894641
-0.00031537 -0.00022285 -0.00006861
-0.01023015 0.00213721 0.00070734
-10.08189102 0.37103029 7.19463523
-0.00130518 0.00112891 0.00008535
-0.00400877 -0.01134273 0.00918600
21.24842958 10.95970308 10.41462564
-0.00077700 0.00093259 0.00045345
-0.00261506 -0.00538624 -0.01125802
20.41928312 12.67111474 8.28348666
-0.00043891 -0.00075592 -0.00022895
0.00696896 0.00472428 -0.00697545
-0.97563929 -3.20852217 -26.42968804
0.00090792 -0.00052382 0.00038744
0.00284871 -0.01599511 -0.00483656
-3.52139040 -1.99921074 -26.43667168
0.00061262 0.00021989 0.00037191
0.02099031 -0.00024846 -0.02471129
-13.58045276 7.13482435 9.38561339
0.00072473 -0.00071754 0.00071078
-0.00518664 -0.00623398 -0.00174620
-15.39383787 7.37320505 7.20997480
0.00035098 -0.00000872 0.00016498
0.01034967 -0.00759621 0.00615614
-11.32631172 7.91831351 -2.32559363
-0.00041645 -0.00023566 0.00106830
0.00407811 -0.01607256 0.00594708
-8.84338899 8.15164055 -3.51359221
-0.00046164 -0.00028989 0.00016015
0.02042462 0.00921256 -0.01473026
-1.11429979 -16.85765035 22.67267287
-0.00011536 0.00086547 -0.00056170
0.00708630 0.02047667 0.00625887
-3.45652120 -15.65114892 23.57289740
0.00162149 0.00057240 -0.00029476
-0.02780397 0.00417977 0.01121561
-2.75667501 6.36930974 -7.97582829
-0.00056754 -0.00039147 0.00039444
0.00681730 -0.00667334 0.01107401
-4.56640506 6.63238589 -5.73115351
0.00003669 -0.00033874 0.00092180
0.03968595 -0.00125309 -0.00160065
-21.69677691 29.78671529 3.14309507
-0.00041955 0.00045976 0.00034190
-0.00913573 -0.00900267 -0.02109401
-21.25851835 30.91523326 5.54005209
-0.00051254 -0.00001510 -0.00054686
-0.01840219 0.02110673 0.04114807
6.89278319 0.06839676 5.97467566
0.00069264 -0.00067707 0.00041047
0.00257824 -0.01577509 -0.01324683
7.23466509 2.22249591 7.76198188
-0.00018138 0.00011050 0.00066653
0.00750550 -0.00735914 0.00855224
7.03155931 12.74838337 -13.10291089
-0.00079109 -0.00065198 0.00095845
-0.00527937 -0.00655305 -0.01326644
4.83656412 11.85024175 -14.93418170
-0.00000991 0.00064318 -0.00123363
0.00419283 0.00074480 0.00563365
14.25781874 3.87291691 -2.35287187
-0.00023263 0.00036933 0.00100557
-0.00481739 0.00233348 -0.00514815
14.81198368 1.09055527 -1.61369391
-0.00043419 -0.00038511 0.00097871
0.00628764 0.01921258 0.00047777
-2.87200401 12.46749500 -0.16496472
-0.00042634 -0.00104991 0.00059590
-0.00096566 0.00341735 -0.00990081
-5.50489475 12.96693080 0.70033693
-0.00013769 -0.00031655 0.00035052
-0.01389043 -0.00019048 0.00061064
3.34248637 11.50184440 2.79226582
-0.00016839 0.00084035 -0.00127806
-0.04586385 -0.03388749 0.00533900
6.18680384 11.34524016 3.04014886
-0.00091769 0.00044780 0.00000914
0.00320745 0.01129640 -0.00384973
25.21604476 -12.51935063 -8.42751146
-0.00031102 -0.00024621 -0.00048756
0.00480988 -0.01178561 0.00797259
26.47785959 -11.51620388 -11.06841128
-0.00097395 0.00064936 -0.00080625
0.02390091 -0.00540931 -0.02275040
15.51090785 -3.01299264 0.39095744
0.00101202 0.00121230 0.00087642
-0.01998245 -0.00107492 0.00937101
16.95581102 -5.37476110 -0.67790906
-0.00000492 -0.00057702 -0.00039220
-0.00107751 -0.00563160 0.00207443
12.12155135 7.92368840 11.56529455
0.00005252 0.00073753 -0.00102252
-0.01468392 0.00369130 0.02384085
13.37859445 9.66335435 9.61964956
-0.00013889 -0.00031232 -0.00018002
0.00715557 -0.00597301 0.00140661
-0.10836710 -14.60332969 17.45904503
0.00043528 0.00019875 0.00003848
0.02001887 -0.00270510 -0.00954779
1.52945867 -12.64496196 18.64547777
0.00044541 -0.00011506 0.00080550
0.01004209 0.01516977 0.00854866
-3.97712879 -1.97453248 -12.80082378
0.00036223 0.00036159 0.00074463
0.00976413 0.01655400 -0.02095870
-3.08049135 -1.57172271 -15.55794833
0.00080807 -0.00091530 0.00110791
0.02434274 -0.02580233 -0.04090316
14.80157266 -8.13085556 -10.49992169
0.00003772 0.00042516 -0.00031720
-0.00506882 -0.01029214 -0.03454644
16.22912711 -6.22835846 -8.92501791
-0.00030492 -0.00058590 -0.00000187
0.03613727 0.03489953 -0.00969999
6.98680455 -5.90911898 8.34387418
0.00013128 0.00087164 -0.00003378
0.00273483 -0.00674193 0.01819459
9.71375745 -6.49535889 7.75553029
0.00061238 0.00018546 0.00011268
-0.01504559 -0.01338717 0.01915606
-21.57279341 2.02600268 21.01760238
0.00139266 0.00036980 0.00021549
0.01307189 0.00650072 0.02427116
-22.39709802 1.49704589 23.81008312
-0.00018307 -0.00032051 0.00024417
-0.00432799 -0.01125455 0.00474557
26.79726673 -2.95671666 -6.71857959
0.00024443 0.00015892 -0.00026609
-0.00285047 0.00384086 -0.00814289
25.32175622 -1.45783758 -8.87803439
0.00045885 -0.00016241 -0.00020676
0.00654520 -0.00353480 0.00492062
10.00610691 -15.73067939 -7.85648978
0.00031611 0.00017485 -0.00034267
-0.00834052 0.03332546 -0.00267060
9.41538790 -12.85258147 -7.00878716
-0.00002843 0.00031633 -0.00066916
-0.00747566 -0.00285714 0.00178492
-5.87536158 -11.27697917 18.26314799
0.00053000 0.00043072 0.00025870
-0.01163613 -0.01780470 -0.01595883
-6.85147399 -11.27980818 15.52551226
0.00045339 0.00049371 0.00016917
-0.00198172 -0.00084505 -0.00199788
8.45183884 1.29624544 -29.54792109
0.00084549 -0.00004864 -0.00012337
-0.00022304 0.03090796 0.00921417
6.02991972 2.61979224 -30.08365293
0.00029957 -0.00076253 -0.00025166
-0.00694793 0.00814814 -0.00060921
12.66300741 14.95807756 14.51077790
-0.00106010 0.00030555 0.00057721
-0.00769879 0.01895368 0.01768912
11.28550759 16.06626228 17.15305158
0.00063293 0.00074821 0.00097920
0.00685335 -0.00040484 0.00383461
29.29402519 4.99221920 -4.71154988
-0.00041806 0.00055704 -0.00054457
-0.01339126 0.01042948 0.00487355
27.04401088 6.85219606 -3.77048607
0.00057171 0.00042772 0.00008423
-0.01241799 -0.00236674 -0.01001586
-9.95206419 4.95408832 6.52351588
-0.00001743 0.00023600 -0.00021590
0.00179648 0.00832848 0.00141499
-8.80667166 13.36260403 2.59751592
-0.00013291 0.00004243 0.00002033
-0.00237377 -0.00422748 0.00382154
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09500499
0.31991335
426.26850242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3902487588 (a.u.)
total exchange computation time: 2.6833879948 s
-154.2415927013
-931.41128835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3900138966 (a.u.)
total exchange computation time: 2.6822431087 s
-154.2443937166
Anderson extrapolation: theta=1.3488103197 (1.3488103197)
-931.41149061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3895987316 (a.u.)
total exchange computation time: 2.6850090027 s
-154.2489266795
Anderson extrapolation: theta=0.0513942901 (0.0513942901)
-931.41161183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3894979828 (a.u.)
total exchange computation time: 2.6838061810 s
-154.2497985476
Anderson extrapolation: theta=1.8552087365 (1.8552087365)
-931.41161616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3892829538 (a.u.)
total exchange computation time: 2.6835219860 s
-154.2515827952
Anderson extrapolation: theta=0.2076915043 (0.2076915043)
-931.41162038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3892268190 (a.u.)
total exchange computation time: 2.6850669384 s
-154.2519876150
Anderson extrapolation: theta=1.8554425967 (1.8554425967)
-931.41162112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3891368410 (a.u.)
total exchange computation time: 2.6827299595 s
-154.2525762311
Anderson extrapolation: theta=0.2831080061 (0.2831080061)
-931.41162204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3891268601 (a.u.)
total exchange computation time: 2.6852231026 s
-154.2525815792
Anderson extrapolation: theta=1.3298710278 (1.3298710278)
-931.41162228
-117.731739 68.261738 97.578849
559.262289 1031.626194 -409.737925
441.530550 1099.887932 -312.159076
1225.620650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3891258271 (a.u.)
total exchange computation time: 2.6821007729 s
679.14401759
-1084.18069016
89.81805400
-388.90036706
-174.90351103
78.52862089
551.60419304
0.00000000
-931.41162248
4.07203650 -31.32063712 -2.21011707
0.00004356 -0.00044887 0.00002750
-0.00172392 0.00436294 -0.00317272
-11.52414811 -1.50853590 -9.32853779
-0.00018707 0.00024449 -0.00014308
-0.01861959 0.00369861 -0.01721189
-37.52569408 2.39905733 0.24155951
-0.00003297 -0.00008445 0.00011354
-0.00543989 0.03018716 -0.02283795
-11.74003495 -4.20846642 4.00877997
-0.00020952 0.00001847 0.00024307
0.00767993 0.00588921 -0.00272827
4.07588666 -4.05408729 8.90730254
-0.00022727 -0.00025568 -0.00042050
0.00252128 0.00349991 -0.02209957
-32.60963928 -0.30926418 -0.06965047
-0.00062531 -0.00002885 0.00043827
0.01427287 -0.01551859 -0.00695812
14.29695403 12.47385676 -13.56861711
-0.00023417 -0.00000733 0.00006733
0.05715449 0.01338584 -0.01977114
-7.74871069 6.08643920 2.68999146
-0.00005442 0.00009254 0.00007342
0.00932118 -0.02134471 -0.03290690
7.31026201 12.24881973 -6.07625259
-0.00029075 -0.00036072 -0.00023833
0.01866658 0.00920828 -0.00556442
8.80969808 9.93879791 -19.07032359
-0.00005295 -0.00004037 -0.00013924
0.01240509 -0.02221973 -0.01141787
23.17061840 17.33076544 -2.32489095
0.00008037 -0.00003166 -0.00027243
0.00185548 0.01021911 -0.00052301
2.09100840 16.82670317 -19.64518431
-0.00008970 0.00011084 -0.00015515
0.00919627 -0.00110599 -0.02249523
13.98483734 -0.94420629 -5.80366021
0.00009237 0.00021547 -0.00014725
0.01186243 -0.00601345 0.03222861
-16.05711773 -1.38056383 3.23636659
-0.00000758 -0.00009873 -0.00006953
-0.01566798 -0.00503963 -0.00371126
-16.19887161 -2.20767819 18.80245856
0.00036825 -0.00031331 -0.00016523
-0.00462014 -0.01606099 -0.01146112
0.49080086 2.11380868 -4.72618121
-0.00012477 0.00007800 0.00023645
-0.02525646 0.01457307 -0.00263007
22.74786618 -7.09085085 -8.80913692
-0.00011206 0.00007496 0.00002433
0.00771878 -0.01857868 -0.00498289
-0.76295813 -6.33411083 7.29844616
0.00007292 -0.00012391 0.00000175
0.00831969 -0.00876461 -0.01127887
-1.75377997 -1.38868663 -19.34089743
0.00001853 -0.00017765 -0.00005296
-0.01969182 -0.00681971 -0.01176206
3.15935675 1.69356289 -9.27010620
-0.00016277 -0.00030023 0.00021782
-0.00179348 -0.00925284 0.01387105
-3.66304320 17.70786330 12.31917869
0.00025025 0.00003826 0.00005244
-0.04759541 0.04546785 0.01435714
-3.84566823 5.10407355 -11.19264081
-0.00034258 0.00017069 -0.00031421
0.00688636 0.02238894 0.01795831
-7.89275659 2.75080660 -8.90012340
0.00017361 -0.00006493 0.00003289
-0.01110784 -0.00830889 0.01164790
2.45365377 27.51101025 8.86542710
0.00010903 0.00011847 0.00032999
0.02045464 -0.00914111 -0.02938795
9.50972878 -6.24526337 -1.76119043
-0.00031790 -0.00009382 0.00010083
-0.00788339 0.01141494 -0.00895425
-8.68320469 0.76618386 6.12540786
0.00020935 -0.00018328 0.00027907
0.00691915 0.00142181 -0.00602302
20.47051678 10.89125399 8.73590079
0.00017761 0.00023355 -0.00015210
0.00059510 -0.00618400 0.01593505
-1.98763132 -2.19122959 -27.57519220
0.00005160 -0.00001796 -0.00030099
-0.03708945 0.00574378 0.03519963
-14.23357780 6.14729011 7.98089993
0.00015798 0.00008019 0.00028895
0.00264270 0.01174802 -0.00240959
-9.61746075 7.23117600 -2.15240152
-0.00020792 -0.00006513 0.00046099
-0.03192289 0.00307245 0.00876533
-1.77055022 -15.17500534 23.24164559
-0.00012833 0.00021037 -0.00044939
0.03168594 -0.01855046 -0.02184120
-2.71111690 6.31243015 -6.11427859
-0.00014097 -0.00006807 0.00010717
-0.04626709 -0.00008001 -0.00478078
-20.31582148 30.34529717 4.17631706
-0.00029080 -0.00074089 0.00002764
0.03185081 -0.00218736 -0.01236365
7.72785954 0.45447816 7.55004991
0.00003895 0.00053955 -0.00032898
0.00196625 0.02624950 0.01910573
5.76551346 11.35522768 -13.43026776
0.00022196 -0.00051913 0.00026970
-0.00319221 -0.00929529 -0.02080005
15.58047000 2.78110800 -1.72432871
0.00018816 0.00018780 0.00021883
-0.00107589 -0.01443260 0.01034481
-4.45685083 13.14951883 -0.79235897
-0.00003476 -0.00032179 -0.00005944
0.01736620 -0.00680372 0.00337441
4.76127542 12.50591524 2.63529293
0.00018587 0.00009346 -0.00042764
0.03932058 0.03002050 0.00539395
25.09816423 -11.50647471 -9.90979726
-0.00000711 0.00005271 0.00019006
-0.04805279 0.01418351 0.02934101
16.79522765 -3.54943993 -0.73220191
0.00029212 0.00032839 -0.00015368
0.01928799 0.00313952 -0.00921660
13.34233407 7.91330457 10.25106120
0.00044851 -0.00030385 0.00017990
0.02147604 -0.00758768 -0.03493625
1.70626751 -14.05723751 17.53967641
0.00018604 -0.00004264 -0.00014563
-0.01979124 -0.00079327 0.00132853
-3.72676161 -0.70582639 -14.19700703
0.00025898 0.00010511 0.00004244
-0.03909955 0.00977453 0.06586112
15.00705276 -7.50160793 -8.85641267
-0.00007911 -0.00001082 0.00011719
-0.03089922 -0.05287062 0.02871848
8.36296586 -7.04326324 8.96365075
0.00000565 0.00012965 0.00014711
0.02205349 0.04470802 -0.03409026
-21.09944072 2.33815563 22.84365565
-0.00000051 0.00013998 0.00000725
-0.00721830 0.00555239 -0.02787124
25.70753341 -3.14294704 -8.20315250
0.00005256 0.00025324 -0.00016094
0.00593692 -0.00157042 0.01064278
9.90367958 -13.91570446 -8.41354804
0.00006574 -0.00001857 -0.00030535
0.00550452 -0.03736350 0.00021931
-6.72421403 -12.39051355 16.97337801
0.00005064 0.00015562 -0.00004729
0.01861461 0.02886812 0.02010059
7.65576145 3.00629096 -29.31202411
-0.00057711 -0.00045847 -0.00003284
0.01950776 -0.04062089 -0.00923591
11.06364204 15.63789226 15.40268186
0.00017864 0.00025989 -0.00015019
-0.02256542 -0.00552374 -0.00125353
28.74668835 6.30168309 -3.47450588
0.00012308 0.00023546 -0.00008826
0.02881610 -0.00985069 0.01336604
5.32860321 -31.90198924 -3.43098122
-0.00025255 -0.00065334 0.00031427
-0.00263087 0.00189951 -0.00291160
4.83192787 -31.37434495 -0.51640721
0.00019003 -0.00069932 -0.00053487
-0.00769911 -0.00422501 -0.00246304
-12.08299151 -3.24251481 -9.17818636
-0.00043591 -0.00033737 -0.00040016
-0.00245674 -0.00456033 -0.00119498
-12.31632207 -0.80928676 -10.85890882
0.00038906 0.00121106 -0.00055640
0.00811967 -0.00864383 0.01254453
-38.98097668 2.19039014 1.32906850
0.00035908 0.00067633 0.00006398
0.00214760 0.00119393 -0.00566299
-37.93503652 3.88090787 -0.91168992
-0.00012751 0.00068645 -0.00035019
0.00717592 -0.02030827 0.01618017
-10.73685138 -5.56659609 3.21254516
0.00045910 -0.00044908 -0.00081596
-0.00359402 0.00703141 0.00743793
-10.65259723 -2.70966009 4.00877382
0.00070857 0.00000389 0.00071976
-0.00556876 -0.00962007 0.00202854
4.28372147 -2.30704918 8.35735139
-0.00042240 0.00090102 -0.00023413
0.00011120 -0.01037418 0.00544136
3.72286133 -3.99505102 10.68448983
-0.00064882 -0.00076268 -0.00023539
0.00368474 0.00208409 0.01189038
-34.16213142 -1.21269937 0.08005086
-0.00074828 0.00049118 0.00036859
-0.00786701 -0.00617856 -0.00168547
-33.03507775 1.28142810 0.62927501
-0.00050610 0.00150467 -0.00058942
-0.00650256 0.01907763 0.00609932
13.60222883 12.87459565 -15.22518916
-0.00006038 0.00021348 0.00185290
-0.00231100 0.00164369 -0.00130652
16.21581459 12.56585723 -13.96812438
-0.00003238 0.00018236 -0.00107882
-0.04930775 -0.00931760 0.01419202
-8.35720716 7.60165472 1.80740233
0.00074092 0.00029142 0.00036447
0.00755635 -0.01711712 -0.00017134
-7.30144953 4.79490115 1.26299800
0.00014444 -0.00055903 0.00000811
-0.01401585 0.03380766 0.03405366
6.22674003 12.44449848 -7.52639182
-0.00003299 0.00007506 -0.00106829
-0.00532093 -0.00315165 -0.00061369
8.78361876 13.38873281 -6.50483567
0.00025657 0.00020981 0.00046104
-0.00653433 0.00056953 0.00460841
8.62557940 8.43265834 -20.14960152
0.00071594 -0.00067432 0.00007930
0.00621482 0.01642627 0.01037798
10.50184363 10.71682241 -19.37433198
0.00099760 -0.00090421 0.00043558
-0.01610261 -0.00432318 0.00078172
24.12650109 15.80823287 -2.77003261
-0.00018486 0.00052754 0.00017496
0.00498001 -0.00457685 -0.00230257
24.20235782 18.75052733 -2.88324449
-0.00101010 0.00056360 -0.00075169
0.01026113 -0.01071260 0.00536662
1.61812210 17.02608935 -21.53729006
-0.00041523 -0.00005969 0.00075014
0.01377542 -0.01122503 0.03351664
3.58666678 15.64841086 -19.46102709
-0.00004969 -0.00023999 0.00042633
-0.02782188 0.01537205 -0.00768996
12.85049695 -1.63885406 -7.05460359
0.00078489 -0.00086145 0.00010223
-0.00913339 0.00070500 -0.00058421
13.18656191 -0.94971866 -4.12553225
-0.00126287 -0.00043334 -0.00036888
0.00120132 -0.00306558 -0.02149829
-17.76514755 -1.92241584 2.85901609
-0.00146660 0.00025955 0.00095942
0.00108947 -0.00366911 0.00255056
-15.01135266 -2.78788011 2.73401951
-0.00008628 -0.00030342 0.00005644
0.00720361 -0.00356046 0.00902014
-16.59724673 -0.70529838 19.70052058
0.00072838 0.00057009 -0.00085586
0.00467185 0.01957896 0.01228454
-15.02326421 -3.16336115 19.82133227
0.00110376 -0.00034448 0.00042077
-0.00022386 -0.00117352 -0.00132684
-0.38002054 0.51154189 -4.95878094
0.00077415 0.00006245 -0.00026478
-0.00062777 -0.01876203 -0.00138456
-1.04750248 3.16832921 -5.02253413
0.00051825 0.00016848 -0.00022616
0.02193123 0.00662093 0.00172129
23.61651322 -8.73993450 -9.23718845
0.00127801 0.00019637 -0.00021342
-0.00418444 0.02427581 0.00847781
23.98264866 -5.78160410 -8.31797044
0.00017200 -0.00021484 0.00054089
-0.00681508 -0.01021648 -0.00594617
-0.16077280 -6.30296985 5.53505507
-0.00138596 0.00008547 -0.00017881
-0.00279680 0.00341917 0.01224838
0.80936211 -6.42292621 8.26159670
0.00011007 0.00025227 -0.00003718
-0.00728939 0.00909389 -0.00400827
-0.30339442 -2.49612446 -19.54983726
-0.00015287 0.00120775 0.00014495
-0.00721422 -0.00207977 0.00254480
-3.13446257 -2.05780893 -20.45700478
-0.00038609 -0.00013620 0.00010952
0.02517971 0.00412997 0.01049715
2.86422466 3.14476346 -10.32578233
0.00018902 0.00046460 0.00054237
-0.00750909 0.00461712 -0.01154886
1.95723092 1.67648162 -7.84274780
0.00020766 -0.00010257 -0.00073474
0.00461939 0.01665929 -0.00401972
-2.23739786 16.68221870 12.31077117
0.00047376 -0.00051113 0.00024456
0.04619271 -0.02976399 0.00255598
-3.66225438 18.48986654 14.02330141
0.00069652 -0.00004791 -0.00000816
0.01181364 -0.00123026 -0.01762734
-5.44336994 5.95901367 -11.07155328
0.00102772 -0.00014198 -0.00006105
-0.00955143 0.01828766 -0.00412344
-4.25007388 3.78415808 -12.29144617
0.00100113 0.00041775 0.00053467
0.00583783 -0.03120290 -0.02576372
-7.72863861 1.42942763 -7.53131113
-0.00023282 -0.00112006 -0.00044278
-0.00130442 0.01904029 -0.01663564
-6.23850311 3.20730434 -9.45395227
-0.00072841 -0.00087820 0.00088540
0.00851257 -0.00367131 0.00645751
3.06843482 27.73073041 7.07788536
0.00017792 -0.00097157 -0.00004220
-0.01733359 -0.00312822 0.03347406
1.23908806 28.81474283 9.09356810
0.00056531 0.00024491 -0.00002860
-0.01022585 0.00886755 0.00182499
10.53742545 -7.25808657 -0.69352575
-0.00036107 0.00088885 0.00020564
0.01524862 -0.00712101 0.01721472
8.40918689 -7.45960940 -2.53452615
-0.00009087 -0.00029553 0.00079305
-0.00800654 -0.00148706 -0.00537175
-7.08103654 0.14190077 6.85793898
-0.00035211 -0.00021684 -0.00006117
-0.00775071 0.00080282 0.00293095
-10.10159162 0.38761644 7.19619702
-0.00130996 0.00108430 0.00011587
0.00167105 -0.01049528 0.00575034
21.23669440 10.97352684 10.42108246
-0.00078841 0.00090992 0.00040526
-0.00297069 -0.00571173 -0.01233489
20.41291304 12.65992065 8.27983861
-0.00041073 -0.00072383 -0.00026073
0.00682394 0.01098683 -0.00858006
-0.96193322 -3.21686963 -26.42402471
0.00090909 -0.00058027 0.00035691
-0.00227640 -0.01163670 -0.01010531
-3.51155796 -1.99591994 -26.43185021
0.00069729 0.00021886 0.00027098
0.02045955 -0.00025889 -0.02469457
-13.56974076 7.12387020 9.39622164
0.00070163 -0.00074261 0.00070178
-0.00612089 -0.00603601 -0.00266021
-15.38825603 7.37284143 7.21263815
0.00039253 -0.00003766 0.00019063
0.00998745 -0.00656653 0.00639909
-11.33243345 7.91428604 -2.30938694
-0.00039827 -0.00030124 0.00109181
0.00481720 -0.01602995 0.00556496
-8.84968770 8.14757447 -3.51164131
-0.00037928 -0.00025232 0.00010048
0.01988931 0.00917762 -0.01447735
-1.11581300 -16.84404086 22.66443915
-0.00008367 0.00094311 -0.00053819
0.00842253 0.01752761 0.00525015
-3.43305087 -15.64243488 23.56881965
0.00147725 0.00058148 -0.00024287
-0.04280378 0.00026464 0.01418705
-2.76497923 6.36323315 -7.96957240
-0.00054014 -0.00041834 0.00043545
0.00659771 -0.00647832 0.00900206
-4.56463862 6.62726645 -5.71737548
0.00019774 -0.00034353 0.00091421
0.03915168 -0.00109257 -0.00211945
-21.70335013 29.79333577 3.14757718
-0.00046068 0.00041997 0.00025063
-0.01099619 -0.01047235 -0.02358280
-21.26677030 30.91565354 5.53311009
-0.00058665 0.00007186 -0.00037754
-0.01787540 0.02146130 0.04173331
6.90325186 0.05775727 5.98042680
0.00069798 -0.00074102 0.00034753
0.00003380 -0.01552622 -0.01756159
7.23217445 2.22392794 7.77224187
-0.00015254 0.00008284 0.00069899
0.00660890 -0.00618189 0.00733742
7.01953122 12.73840284 -13.08894073
-0.00080772 -0.00067390 0.00090511
-0.00286382 -0.00417747 -0.01284355
4.83654393 11.85991220 -14.95251350
0.00001946 0.00063932 -0.00119028
0.01018489 -0.00263399 0.01558644
14.25418162 3.87852837 -2.33794615
-0.00025087 0.00037750 0.00098486
-0.00411055 0.00166465 -0.00498878
14.80566355 1.08536738 -1.59899856
-0.00040425 -0.00029722 0.00097924
0.00836533 0.02381086 -0.00021768
-2.87842876 12.45185111 -0.15632958
-0.00043122 -0.00103493 0.00055370
-0.00142123 0.00391457 -0.01075758
-5.50738575 12.96217669 0.70561351
-0.00019252 -0.00031615 0.00034801
-0.01295063 0.00038531 -0.00184385
3.33855515 11.51341119 2.77325854
-0.00035723 0.00070112 -0.00125650
-0.04657800 -0.03426344 0.00521236
6.17313671 11.35230327 3.04016794
-0.00089626 0.00048656 -0.00000447
0.00728535 0.00767612 -0.00280846
25.21152678 -12.52340496 -8.43458053
-0.00028990 -0.00029805 -0.00045031
0.00553190 -0.01359151 0.01026246
26.46398268 -11.50662920 -11.08120211
-0.00087465 0.00062591 -0.00089959
0.02470885 -0.00607300 -0.02294092
15.52547586 -2.99484103 0.40439096
0.00093569 0.00120427 0.00091007
-0.01738333 -0.00285623 0.00709744
16.95570420 -5.38358895 -0.68372843
-0.00001100 -0.00058688 -0.00038301
-0.00189846 0.00080271 0.00242427
12.12188913 7.93486442 11.55068736
-0.00001411 0.00075079 -0.00091715
-0.01793235 0.00280252 0.02773477
13.37673038 9.65848652 9.61699240
-0.00010813 -0.00033826 -0.00017482
0.00789934 -0.00672622 0.00113880
-0.10122444 -14.60043140 17.45932971
0.00051320 0.00018655 -0.00000078
0.01812320 -0.00326707 -0.00967294
1.53644749 -12.64622298 18.65782215
0.00048708 -0.00006023 0.00083460
0.01035516 0.01167051 0.00569832
-3.97139610 -1.96860141 -12.79029654
0.00040201 0.00043145 0.00065722
0.00970968 0.01764626 -0.02183205
-3.06762442 -1.58624284 -15.54258302
0.00090791 -0.00102093 0.00094080
0.02452924 -0.02590416 -0.04090208
14.80198310 -8.12479360 -10.50573826
0.00001723 0.00038470 -0.00045249
-0.00496063 -0.00951067 -0.03168224
16.22566063 -6.23607759 -8.92534326
-0.00015126 -0.00043709 -0.00004074
0.03908136 0.03794481 -0.00932637
6.98885753 -5.89625099 8.34392506
0.00014590 0.00084069 0.00004187
0.00442037 -0.00840733 0.01883521
9.72248210 -6.49298724 7.75780753
0.00054650 0.00012954 0.00019398
-0.01720396 -0.01398497 0.02064178
-21.55150296 2.03174895 21.02157853
0.00144209 0.00039449 0.00030879
0.01112273 0.00558087 0.02139754
-22.39997663 1.49189338 23.81389104
-0.00019599 -0.00036293 0.00025794
-0.00199873 -0.00951030 0.00199444
26.80084584 -2.95421520 -6.72282047
0.00023288 0.00017453 -0.00029934
-0.00280316 0.00380329 -0.00813105
25.32883950 -1.46038207 -8.88098508
0.00048411 -0.00017162 -0.00018880
0.00582224 -0.00097304 0.00387121
10.01059295 -15.72703537 -7.86171165
0.00028226 0.00030881 -0.00035240
-0.00822782 0.03224421 -0.00209398
9.41473241 -12.84792401 -7.01876993
-0.00005941 0.00030478 -0.00066083
-0.00769143 -0.00279753 0.00229374
-5.86776822 -11.27106394 18.26653950
0.00047941 0.00035406 0.00018987
-0.01312814 -0.01972325 -0.01773602
-6.84473388 -11.27242846 15.52798853
0.00044499 0.00048999 0.00016043
-0.00212869 -0.00097505 -0.00227677
8.46451439 1.29646300 -29.54948925
0.00084206 0.00007920 -0.00008571
-0.00145509 0.03166992 0.00921889
6.03420041 2.60860401 -30.08744653
0.00026416 -0.00073160 -0.00025711
-0.01038931 0.00699333 -0.00205797
12.64687003 14.96324167 14.51997805
-0.00108272 0.00037882 0.00064450
-0.00337566 0.01690910 0.01525157
11.29521153 16.07747300 17.16785716
0.00065788 0.00074141 0.00097590
0.00536146 -0.00292404 -0.00545310
29.28734393 5.00089446 -4.71956912
-0.00047156 0.00059848 -0.00052502
-0.01279885 0.00985412 0.00469495
27.05220605 6.85853935 -3.76952953
0.00051524 0.00042020 0.00004259
-0.01522352 -0.00131611 -0.01036863
-9.95232085 4.95765061 6.52028119
-0.00001675 0.00023895 -0.00021539
0.00199818 0.00817691 0.00143083
-8.80866949 13.36323314 2.59782758
-0.00013344 0.00004146 0.00002119
-0.00213883 -0.00417078 0.00359664
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09498666
0.31663583
421.90136246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3894771086 (a.u.)
total exchange computation time: 2.8056390285 s
-154.2289495308
-931.40698466
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3892501057 (a.u.)
total exchange computation time: 2.8102190495 s
-154.2317534303
Anderson extrapolation: theta=1.3550771044 (1.3550771044)
-931.40719680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3888600197 (a.u.)
total exchange computation time: 2.8075439930 s
-154.2361896721
Anderson extrapolation: theta=0.0546033658 (0.0546033658)
-931.40732525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3887724642 (a.u.)
total exchange computation time: 2.8076510429 s
-154.2369755683
Anderson extrapolation: theta=1.9502973850 (1.9502973850)
-931.40733031
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3885822982 (a.u.)
total exchange computation time: 2.8089749813 s
-154.2386068973
Anderson extrapolation: theta=0.2231214352 (0.2231214352)
-931.40733563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3885360187 (a.u.)
total exchange computation time: 2.8075160980 s
-154.2389451775
Anderson extrapolation: theta=1.8366925985 (1.8366925985)
-931.40733662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3884696754 (a.u.)
total exchange computation time: 2.8052248955 s
-154.2393679567
Anderson extrapolation: theta=0.2795734330 (0.2795734330)
-931.40733777
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3884696343 (a.u.)
total exchange computation time: 2.8065388203 s
-154.2393010795
Anderson extrapolation: theta=1.3052351711 (1.3052351711)
-931.40733803
-117.762388 68.255970 97.629656
559.302065 1031.643635 -409.698862
441.539677 1099.899605 -312.069206
1225.611528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3884826682 (a.u.)
total exchange computation time: 2.8056530952 s
679.14492392
-1084.17485852
89.81471653
-388.90237203
-174.90126543
78.52133613
551.60419304
0.00000000
-931.40733820
4.07268318 -31.32735332 -2.20971685
0.00004210 -0.00044651 0.00002563
-0.00394958 0.00482850 -0.00409371
-11.52702598 -1.50485433 -9.33075038
-0.00019713 0.00024571 -0.00015228
-0.02050891 0.00106428 -0.01856362
-37.52620960 2.39790703 0.24317453
-0.00003532 -0.00006788 0.00010058
-0.00369879 0.03425570 -0.02756085
-11.74314820 -4.20816667 4.01241552
-0.00020402 0.00002090 0.00024087
0.01371711 0.00358417 -0.00581995
4.07248738 -4.05790897 8.90090981
-0.00022587 -0.00025220 -0.00043189
0.00290961 0.01004445 -0.02218729
-32.61896382 -0.30975686 -0.06310319
-0.00061801 -0.00003470 0.00043540
0.01409010 -0.00722234 -0.00423502
14.29366194 12.47379842 -13.56768342
-0.00020313 -0.00000105 0.00005954
0.06354360 0.01103379 -0.01054047
-7.74949098 6.08774493 2.69096580
-0.00004936 0.00008087 0.00005661
0.01033447 -0.02403067 -0.03246559
7.30597270 12.24344440 -6.07984894
-0.00028108 -0.00035534 -0.00024216
0.01896657 0.01174266 -0.00933233
8.80895175 9.93810670 -19.07245627
-0.00004574 -0.00005199 -0.00014553
0.01561432 -0.02298281 -0.01304794
23.17183116 17.33033002 -2.32897939
0.00008052 -0.00002537 -0.00027243
-0.00127020 0.01421444 0.00050341
2.08969834 16.82836157 -19.64759831
-0.00008463 0.00010997 -0.00016563
0.01051821 -0.00230020 -0.01824836
13.98626865 -0.94099748 -5.80574466
0.00009806 0.00021227 -0.00012993
0.01028024 -0.00642241 0.03512807
-16.05729185 -1.38206425 3.23530939
-0.00001731 -0.00010173 -0.00007162
-0.02217519 -0.00660461 -0.00442327
-16.19336566 -2.21243976 18.79993592
0.00036670 -0.00032174 -0.00016996
-0.00140574 -0.01670997 -0.00695221
0.48883187 2.11503484 -4.72264455
-0.00013680 0.00008564 0.00023523
-0.02150070 0.01514546 -0.00212385
22.74621511 -7.08979814 -8.80879121
-0.00010722 0.00006494 0.00002168
0.01107779 -0.02036111 -0.00532249
-0.76183229 -6.33600331 7.29842889
0.00007669 -0.00012837 -0.00000357
0.00634487 -0.00857996 -0.00941687
-1.75357800 -1.39137774 -19.34173722
0.00000677 -0.00017990 -0.00005876
-0.02603881 -0.00193256 -0.01077807
3.15690827 1.68902375 -9.26678545
-0.00016292 -0.00030417 0.00022315
0.00121658 -0.00605407 0.00685649
-3.65947298 17.70861261 12.32002072
0.00022710 0.00006065 0.00005958
-0.04245559 0.04160141 0.01339421
-3.85078033 5.10672029 -11.19728473
-0.00033604 0.00018276 -0.00030364
0.01853754 0.02454467 0.02313875
-7.89019526 2.74980067 -8.89958507
0.00016548 -0.00007026 0.00003997
-0.02050157 -0.01242954 0.01585575
2.45536814 27.51275209 8.87026364
0.00012001 0.00011328 0.00031464
0.02223999 -0.01103816 -0.03031723
9.50492982 -6.24662668 -1.75971249
-0.00032216 -0.00008702 0.00009580
-0.00866853 0.01505394 -0.01061288
-8.68003768 0.76344009 6.12957067
0.00021065 -0.00018237 0.00027625
-0.00188297 0.00212885 -0.00492853
20.47318329 10.89473345 8.73368079
0.00017804 0.00022884 -0.00014327
0.00105373 -0.01214262 0.01839395
-1.98700038 -2.19147684 -27.57957133
0.00003401 -0.00001612 -0.00028182
-0.03132354 0.00141283 0.03934755
-14.23119790 6.14853829 7.98522482
0.00015971 0.00008581 0.00028791
0.00409803 0.01011636 -0.00161293
-9.62070262 7.23021089 -2.14545285
-0.00022414 -0.00006344 0.00046529
-0.03117136 0.00350326 0.00796808
-1.77235295 -15.17192133 23.23482056
-0.00010874 0.00020267 -0.00046105
0.04449028 -0.01140863 -0.02350345
-2.71340997 6.31140883 -6.11268955
-0.00016430 -0.00006822 0.00010534
-0.04445263 -0.00051225 -0.00231292
-20.32006058 30.33417537 4.17668393
-0.00027443 -0.00074161 0.00002207
0.03181011 -0.00062655 -0.00929254
7.72845136 0.46267270 7.54518890
0.00004082 0.00055265 -0.00031792
0.00532709 0.02468307 0.02389562
5.76883048 11.34740485 -13.42630244
0.00021836 -0.00052361 0.00025660
-0.01078087 -0.00813843 -0.03014522
15.58328826 2.78386935 -1.72100642
0.00018683 0.00017957 0.00022425
-0.00408603 -0.01758108 0.01073209
-4.45730524 13.14466567 -0.79323751
-0.00002608 -0.00032552 -0.00005686
0.01640411 -0.00770060 0.00664043
4.76421508 12.50743298 2.62889911
0.00020451 0.00010954 -0.00042494
0.03319358 0.03248240 0.00510216
25.09787219 -11.50562939 -9.90683325
-0.00003184 0.00006064 0.00020448
-0.04808899 0.01666922 0.02676676
16.79968385 -3.54450203 -0.73454265
0.00030142 0.00032888 -0.00015775
0.01687126 -0.00121435 -0.00662661
13.34914457 7.90871752 10.25362490
0.00045997 -0.00030739 0.00016129
0.02310060 -0.00618194 -0.03743226
1.70898183 -14.05788019 17.53749702
0.00017637 -0.00004193 -0.00014415
-0.01781572 0.00357369 0.00444930
-3.72302769 -0.70421202 -14.19611641
0.00023916 0.00010960 0.00007585
-0.03797075 0.00768864 0.06405958
15.00574695 -7.50197417 -8.85454405
-0.00009525 -0.00003864 0.00013088
-0.03186986 -0.05531469 0.02450283
8.36313575 -7.04114599 8.96572589
0.00001696 0.00015299 0.00012921
0.02190114 0.04603133 -0.03551422
-21.09947624 2.34027676 22.84365694
-0.00000437 0.00014259 -0.00000543
-0.00777616 0.00460253 -0.02144166
25.70834467 -3.13915446 -8.20552560
0.00005578 0.00025164 -0.00015520
0.00659496 -0.00466938 0.01169421
9.90468695 -13.91612715 -8.41812746
0.00006856 -0.00003725 -0.00030555
0.00546632 -0.03526152 -0.00100536
-6.72338260 -12.38806786 16.97274616
0.00006047 0.00017083 -0.00003653
0.01958857 0.03028334 0.02176969
7.64718012 2.99925724 -29.31255230
-0.00056595 -0.00047906 -0.00003714
0.02386375 -0.03946167 -0.00747882
11.06623465 15.64176929 15.40042410
0.00016589 0.00025818 -0.00014777
-0.02704705 -0.00111752 0.01067397
28.74864568 6.30517700 -3.47577820
0.00013830 0.00023029 -0.00008122
0.03039107 -0.01025722 0.01402158
5.32473440 -31.91173111 -3.42635640
-0.00026063 -0.00064691 0.00029836
-0.00132869 0.00124941 -0.00487539
4.83454243 -31.38496428 -0.52450572
0.00016068 -0.00071598 -0.00053971
-0.00667031 -0.00392719 0.00009212
-12.08960537 -3.24771514 -9.18422544
-0.00044362 -0.00034638 -0.00040698
-0.00131869 0.00015119 -0.00214074
-12.31023732 -0.79138581 -10.86687036
0.00042388 0.00117164 -0.00050029
0.00892266 -0.01064898 0.01491747
-38.97552469 2.20057170 1.32985474
0.00036228 0.00067975 0.00004523
-0.00058278 0.00047888 -0.00351785
-37.93672931 3.89058238 -0.91644701
-0.00009603 0.00059684 -0.00027942
0.00823346 -0.02355682 0.01846322
-10.73007506 -5.57311678 3.20053364
0.00043669 -0.00041091 -0.00077894
-0.00737332 0.01164937 0.01068264
-10.64213934 -2.70989658 4.01963245
0.00068115 -0.00004035 0.00072790
-0.00785371 -0.01203241 0.00195180
4.27738894 -2.29385180 8.35400626
-0.00042355 0.00084494 -0.00020723
-0.00067800 -0.01707814 0.00772434
3.71324189 -4.00642741 10.68132335
-0.00063292 -0.00075358 -0.00019090
0.00409851 0.00237290 0.00988549
-34.17359674 -1.20552092 0.08552813
-0.00078286 0.00046572 0.00036273
-0.00905605 -0.00628662 -0.00118754
-33.04286846 1.30458282 0.62062062
-0.00052974 0.00156632 -0.00057126
-0.00506998 0.01109747 0.00278919
13.60125238 12.87784817 -15.19743569
-0.00008073 0.00022564 0.00182610
-0.00765027 0.00430878 -0.01181022
16.21381788 12.56830713 -13.98387173
-0.00023631 0.00014379 -0.00101808
-0.05051471 -0.00956146 0.01553811
-8.34586176 7.60550146 1.81286418
0.00077050 0.00022382 0.00036135
0.00691934 -0.01597300 -0.00135797
-7.29971240 4.78755162 1.26416314
0.00008664 -0.00041774 0.00014890
-0.01427658 0.03535462 0.03486702
6.22608214 12.44552786 -7.54243499
-0.00004933 0.00006134 -0.00106363
-0.00267817 -0.00356497 0.00289336
8.78726706 13.39189743 -6.49777882
0.00022442 0.00020807 0.00048038
-0.00920347 -0.00142093 0.00485733
8.63650897 8.42304687 -20.14809396
0.00074039 -0.00060432 0.00012405
0.00575207 0.01784221 0.01152388
10.51631418 10.70312675 -19.36777438
0.00092622 -0.00092288 0.00043997
-0.01883965 -0.00481614 0.00136845
24.12388082 15.81600567 -2.76747874
-0.00015947 0.00050229 0.00016258
0.00744952 -0.00777911 -0.00376076
24.18752080 18.75865306 -2.89435535
-0.00096652 0.00051877 -0.00072908
0.01106892 -0.01123405 0.00570089
1.61231579 17.02485005 -21.52501086
-0.00035912 -0.00010514 0.00088036
0.01369091 -0.01102595 0.03022786
3.58506881 15.64528211 -19.45486785
-0.00016531 -0.00017504 0.00039319
-0.02877247 0.01642100 -0.00852876
12.86199040 -1.65175414 -7.05308810
0.00074683 -0.00085969 0.00009703
-0.00949815 0.00015203 -0.00195769
13.16765561 -0.95631272 -4.13172425
-0.00125405 -0.00044448 -0.00045961
0.00311724 -0.00238492 -0.02291401
-17.78711319 -1.91863495 2.87348553
-0.00144584 0.00024738 0.00097174
0.00907407 -0.00229012 0.00348119
-15.01242615 -2.79254056 2.73514251
-0.00005933 -0.00031762 0.00009315
0.00598772 -0.00338736 0.00895016
-16.58617781 -0.69614711 19.68805907
0.00074921 0.00064441 -0.00080828
0.00552445 0.01680274 0.01100527
-15.00671465 -3.16856434 19.82760320
0.00109443 -0.00034242 0.00040867
-0.00434574 0.00218123 -0.00459534
-0.36842755 0.51190364 -4.96279503
0.00076862 -0.00001655 -0.00027073
-0.00207830 -0.01990794 -0.00152789
-1.03905663 3.17105928 -5.02587383
0.00060306 0.00019696 -0.00021925
0.01958089 0.00731879 0.00166442
23.63555515 -8.73624499 -9.24012997
0.00125613 0.00029795 -0.00017770
-0.00652756 0.02544667 0.00900646
23.98501981 -5.78513974 -8.31003932
0.00014192 -0.00025605 0.00051611
-0.00790961 -0.00995838 -0.00618277
-0.18164791 -6.30158296 5.53274829
-0.00139402 0.00009945 -0.00013119
-0.00114613 0.00341970 0.01105906
0.81078973 -6.41886356 8.26091615
0.00008083 0.00028930 -0.00005529
-0.00701957 0.00903663 -0.00485812
-0.30590851 -2.47807196 -19.54758496
-0.00017141 0.00118943 0.00015264
-0.00186280 -0.00688468 0.00121679
-3.13948231 -2.05972532 -20.45504025
-0.00028065 -0.00011951 0.00015275
0.02643411 0.00403806 0.01066102
2.86682984 3.15187398 -10.31800069
0.00015977 0.00047831 0.00049823
-0.00680966 0.00209050 -0.01005652
1.96048735 1.67545352 -7.85389212
0.00021870 -0.00003553 -0.00074122
0.00078501 0.01615753 0.00084924
-2.22887604 16.67363971 12.31451790
0.00065254 -0.00062585 0.00025474
0.04132492 -0.02639210 0.00242531
-3.65144465 18.48911016 14.02263891
0.00074400 -0.00005203 -0.00007824
0.01142899 -0.00078680 -0.01667677
-5.42824690 5.95744434 -11.07259537
0.00097003 -0.00005920 -0.00007705
-0.01868423 0.02223486 -0.00370753
-4.23487802 3.78946825 -12.28421554
0.00102010 0.00027720 0.00041883
0.00344769 -0.03760153 -0.03094061
-7.73217092 1.41321018 -7.53846253
-0.00023909 -0.00103910 -0.00051200
-0.00176412 0.02058885 -0.01724968
-6.24916848 3.19401888 -9.44047345
-0.00067368 -0.00088683 0.00090392
0.01827802 -0.00055498 0.00261076
3.07057250 27.71606096 7.07827814
0.00010602 -0.00098344 0.00009675
-0.01786440 -0.00267894 0.03454358
1.24725441 28.81868814 9.09319500
0.00052100 0.00028418 -0.00002119
-0.01146673 0.01035721 0.00180520
10.53247672 -7.24497199 -0.68991367
-0.00029405 0.00085535 0.00028096
0.01755756 -0.00927672 0.01965541
8.40757847 -7.46408797 -2.52279503
-0.00012644 -0.00030463 0.00076912
-0.00940577 -0.00296839 -0.00633956
-7.08655563 0.13867276 6.85711118
-0.00037813 -0.00021648 -0.00004449
-0.00498915 -0.00062538 0.00523439
-10.12118980 0.40355937 7.19811122
-0.00129133 0.00104294 0.00013232
0.00744606 -0.00975314 0.00230343
21.22477715 10.98700056 10.42678332
-0.00080096 0.00088596 0.00035327
-0.00316924 -0.00601392 -0.01311255
20.40696116 12.64939991 8.27566472
-0.00038330 -0.00066644 -0.00029904
0.00660419 0.01710647 -0.01017153
-0.94836666 -3.22593025 -26.41898070
0.00088991 -0.00061958 0.00030568
-0.00711122 -0.00760689 -0.01497443
-3.50047163 -1.99264501 -26.42854218
0.00077849 0.00021796 0.00017115
0.01928610 -0.00017812 -0.02417607
-13.55940388 7.11254614 9.40666684
0.00067490 -0.00076668 0.00068934
-0.00696484 -0.00574766 -0.00342926
-15.38206211 7.37207537 7.21569368
0.00043202 -0.00006187 0.00021684
0.00934490 -0.00528801 0.00643106
-11.33825995 7.90927616 -2.29283919
-0.00037773 -0.00036628 0.00111358
0.00524163 -0.01580343 0.00508691
-8.85476747 8.14407084 -3.51057767
-0.00029999 -0.00021568 0.00004313
0.01892730 0.00875759 -0.01359690
-1.11681002 -16.82935716 22.65652720
-0.00004679 0.00100797 -0.00051924
0.00963182 0.01422324 0.00402551
-3.41220383 -15.63370462 23.56561137
0.00127302 0.00057494 -0.00017880
-0.05716585 -0.00346396 0.01717522
-2.77287911 6.35675953 -7.96276480
-0.00051374 -0.00044441 0.00046739
0.00632325 -0.00628070 0.00663507
-4.56047273 6.62208006 -5.70372735
0.00035477 -0.00034744 0.00090488
0.03771421 -0.00082287 -0.00244553
-21.71059726 29.79931444 3.15061398
-0.00050836 0.00037494 0.00015042
-0.01234534 -0.01156919 -0.02546858
-21.27611776 30.91738911 5.52872576
-0.00065640 0.00015869 -0.00020948
-0.01626920 0.02104396 0.04053657
6.91372262 0.04616624 5.98510165
0.00069344 -0.00080371 0.00026811
-0.00225711 -0.01516211 -0.02131721
7.23008884 2.22498111 7.78295154
-0.00012762 0.00006042 0.00072644
0.00559268 -0.00479362 0.00610172
7.00732762 12.72816628 -13.07575771
-0.00081417 -0.00068573 0.00085381
-0.00029204 -0.00161436 -0.01226850
4.83714794 11.86942122 -14.96989006
0.00007146 0.00062218 -0.00110884
0.01526765 -0.00575405 0.02427943
14.25029258 3.88424185 -2.32332617
-0.00026577 0.00038264 0.00096499
-0.00318315 0.00085192 -0.00473858
14.79985609 1.08163877 -1.58431656
-0.00036648 -0.00019225 0.00097690
0.01012556 0.02756940 -0.00092812
-2.88494061 12.43644712 -0.14835373
-0.00043768 -0.00101806 0.00050824
-0.00173999 0.00434341 -0.01149707
-5.51067044 12.95744620 0.71077709
-0.00024323 -0.00031341 0.00033529
-0.01187058 0.00095793 -0.00438097
3.33176935 11.52287812 2.75457071
-0.00054415 0.00056342 -0.00123582
-0.04491982 -0.03314327 0.00491135
6.15991607 11.35983682 3.04001490
-0.00085787 0.00050994 -0.00001351
0.01150840 0.00376952 -0.00162119
25.20734782 -12.52829226 -8.44102064
-0.00026601 -0.00035675 -0.00040453
0.00616049 -0.01514068 0.01214714
26.45162008 -11.49742671 -11.09539890
-0.00077430 0.00059981 -0.00099194
0.02441091 -0.00670194 -0.02226617
15.53897852 -2.97686447 0.41825945
0.00087083 0.00118852 0.00093341
-0.01436463 -0.00485282 0.00432682
16.95548103 -5.39236760 -0.68939923
-0.00002024 -0.00057109 -0.00037236
-0.00262272 0.00693012 0.00278718
12.12112791 7.94621219 11.53777993
-0.00009225 0.00076061 -0.00079797
-0.02031578 0.00200256 0.03060709
13.37535043 9.65320646 9.61440503
-0.00007433 -0.00036694 -0.00017081
0.00864619 -0.00730941 0.00082484
-0.09297106 -14.59773333 17.45902157
0.00058242 0.00017190 -0.00004046
0.01575758 -0.00390108 -0.00974839
1.54407094 -12.64676875 18.67051577
0.00052989 -0.00002015 0.00085156
0.01060210 0.00794771 0.00260380
-3.96506835 -1.96158887 -12.78110730
0.00044128 0.00050470 0.00056745
0.00950963 0.01820813 -0.02210927
-3.05325419 -1.60235054 -15.52972444
0.00100621 -0.00112387 0.00077822
0.02358947 -0.02448688 -0.03867809
14.80208952 -8.11931452 -10.51349651
-0.00000259 0.00034828 -0.00057376
-0.00474122 -0.00831664 -0.02767632
16.22458930 -6.24147122 -8.92624018
0.00001142 -0.00027912 -0.00007814
0.04055185 0.03938145 -0.00898114
6.99118141 -5.88389824 8.34513028
0.00016683 0.00080350 0.00011975
0.00582733 -0.00980034 0.01928846
9.73015238 -6.49147267 7.76134983
0.00047303 0.00007176 0.00028019
-0.01875649 -0.01429787 0.02155838
-21.52953083 2.03783724 21.02686604
0.00148332 0.00041511 0.00038902
0.00906287 0.00451627 0.01787822
-22.40297773 1.48615803 23.81782119
-0.00019911 -0.00039801 0.00026021
0.00047211 -0.00766238 -0.00088344
26.80425314 -2.95148066 -6.72755967
0.00022186 0.00018998 -0.00033208
-0.00259335 0.00375833 -0.00789576
25.33627960 -1.46298620 -8.88369852
0.00050634 -0.00017007 -0.00017529
0.00505877 0.00173083 0.00274417
10.01457474 -15.72141523 -7.86706186
0.00024901 0.00043647 -0.00035929
-0.00804956 0.03024831 -0.00127549
9.41360555 -12.84343800 -7.02861212
-0.00009116 0.00029341 -0.00065074
-0.00785148 -0.00277035 0.00264619
-5.86097943 -11.26635746 18.26884404
0.00042347 0.00027059 0.00011489
-0.01425477 -0.02113209 -0.01896430
-6.83812422 -11.26510849 15.53032527
0.00043598 0.00048573 0.00015065
-0.00228218 -0.00111151 -0.00251288
8.47710077 1.29862150 -29.55049242
0.00083408 0.00020879 -0.00004827
-0.00245359 0.03176280 0.00910689
6.03784438 2.59784437 -30.09136625
0.00021510 -0.00070551 -0.00026843
-0.01362498 0.00577733 -0.00348343
12.63052578 14.96944208 14.53011292
-0.00108620 0.00044291 0.00070082
0.00167159 0.01446409 0.01231606
11.30524406 16.08850452 17.18232853
0.00067674 0.00072469 0.00093619
0.00386867 -0.00526118 -0.01398475
29.27987828 5.01017364 -4.72730062
-0.00052233 0.00063710 -0.00050659
-0.01205013 0.00904773 0.00432996
27.05946822 6.86480198 -3.76920845
0.00044847 0.00041668 -0.00000019
-0.01746455 -0.00040531 -0.01056966
-9.95256677 4.96125680 6.51705419
-0.00001600 0.00024185 -0.00021487
0.00219384 0.00801936 0.00147210
-8.81067477 13.36384774 2.59815176
-0.00013391 0.00004050 0.00002201
-0.00190804 -0.00410695 0.00339591
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09470333
0.31263487
416.57028719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3896289803 (a.u.)
total exchange computation time: 2.8089339733 s
-154.2164458729
-931.40272304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3893444862 (a.u.)
total exchange computation time: 2.8073189259 s
-154.2195975591
Anderson extrapolation: theta=1.3512661526 (1.3512661526)
-931.40294460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3888593432 (a.u.)
total exchange computation time: 2.8074309826 s
-154.2245503875
Anderson extrapolation: theta=0.0539117797 (0.0539117797)
-931.40307843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3887507033 (a.u.)
total exchange computation time: 2.8100540638 s
-154.2254204884
Anderson extrapolation: theta=1.9390840418 (1.9390840418)
-931.40308373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3885097512 (a.u.)
total exchange computation time: 2.8062460423 s
-154.2272565021
Anderson extrapolation: theta=0.2216134146 (0.2216134146)
-931.40308939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3884439756 (a.u.)
total exchange computation time: 2.8068649769 s
-154.2276791191
Anderson extrapolation: theta=1.8371539227 (1.8371539227)
-931.40309050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3883381652 (a.u.)
total exchange computation time: 2.8054690361 s
-154.2282773164
Anderson extrapolation: theta=0.2780820138 (0.2780820138)
-931.40309189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3883252188 (a.u.)
total exchange computation time: 2.8066148758 s
-154.2282705737
Anderson extrapolation: theta=1.3049809569 (1.3049809569)
-931.40309225
-117.791990 68.252113 97.676930
559.341445 1031.660879 -409.659114
441.549455 1099.912992 -311.982184
1225.604909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3883213821 (a.u.)
total exchange computation time: 2.8092072010 s
679.15145086
-1084.18102379
89.81057141
-388.89592874
-174.89984091
78.52127705
551.60419304
0.00000000
-931.40309256
4.07329939 -31.33403228 -2.20934821
0.00003947 -0.00044391 0.00002324
-0.00625922 0.00526876 -0.00517866
-11.53006206 -1.50116456 -9.33310617
-0.00020808 0.00024555 -0.00016206
-0.02207687 -0.00168945 -0.01946726
-37.52675366 2.39702100 0.24457693
-0.00003672 -0.00004940 0.00008533
-0.00175758 0.03759412 -0.03175431
-11.74615563 -4.20783928 4.01600617
-0.00019559 0.00002221 0.00023717
0.01907572 0.00150453 -0.00859126
4.06911054 -4.06165317 8.89434592
-0.00022433 -0.00024556 -0.00044314
0.00307892 0.01575321 -0.02157145
-32.62817967 -0.31030526 -0.05658858
-0.00061091 -0.00003628 0.00043391
0.01352189 0.00108138 -0.00155384
14.29086007 12.47382521 -13.56683104
-0.00016901 0.00000394 0.00005664
0.06912917 0.00837601 -0.00070346
-7.75019155 6.08886528 2.69168968
-0.00004381 0.00006790 0.00004022
0.01125860 -0.02638455 -0.03124083
7.30182971 12.23815966 -6.08351728
-0.00027129 -0.00034870 -0.00024787
0.01910405 0.01407907 -0.01290470
8.80832588 9.93723819 -19.07468962
-0.00003695 -0.00006393 -0.00015254
0.01856685 -0.02345380 -0.01420486
23.17303411 17.33000426 -2.33306394
0.00007909 -0.00001709 -0.00027193
-0.00431876 0.01798068 0.00144662
2.08846943 16.83000223 -19.65015310
-0.00007896 0.00010856 -0.00017372
0.01153268 -0.00316052 -0.01324520
13.98777927 -0.93783821 -5.80755812
0.00010292 0.00020880 -0.00011134
0.00860296 -0.00705004 0.03717127
-16.05763705 -1.38361562 3.23421806
-0.00003023 -0.00010549 -0.00007402
-0.02805330 -0.00803679 -0.00492026
-16.18787056 -2.21733025 18.79735964
0.00036670 -0.00033026 -0.00017236
0.00139647 -0.01643556 -0.00234825
0.48669701 2.11637784 -4.71912428
-0.00014685 0.00009339 0.00023427
-0.01758536 0.01500742 -0.00163116
22.74464950 -7.08890251 -8.80848657
-0.00010078 0.00005412 0.00001887
0.01398439 -0.02174194 -0.00560190
-0.76065751 -6.33796199 7.29833897
0.00007938 -0.00013274 -0.00000790
0.00412931 -0.00840234 -0.00740931
-1.75357690 -1.39408377 -19.34266016
-0.00000817 -0.00017959 -0.00006394
-0.03206646 0.00315034 -0.00936315
3.15446917 1.68443790 -9.26341179
-0.00016146 -0.00030639 0.00022477
0.00446465 -0.00257549 -0.00055580
-3.65623029 17.70968287 12.32096608
0.00020696 0.00008070 0.00006612
-0.03586014 0.03637411 0.01203331
-3.85574942 5.10955639 -11.20175014
-0.00032367 0.00019561 -0.00029071
0.02955288 0.02541527 0.02715101
-7.88779210 2.74869885 -8.89892442
0.00015250 -0.00007760 0.00004908
-0.02997519 -0.01610752 0.01956858
2.45725408 27.51440879 8.87486630
0.00013170 0.00010723 0.00029906
0.02320413 -0.01251049 -0.03026437
9.50006398 -6.24787386 -1.75831642
-0.00032673 -0.00007853 0.00009003
-0.00908482 0.01793079 -0.01183081
-8.67688521 0.76071275 6.13369545
0.00020740 -0.00018104 0.00027395
-0.01074516 0.00305883 -0.00400961
20.47585793 10.89811922 8.73160270
0.00017867 0.00022116 -0.00013329
0.00141722 -0.01772532 0.02042768
-1.98661108 -2.19171318 -27.58364691
0.00001945 -0.00001643 -0.00026078
-0.02528319 -0.00260270 0.04247781
-14.22878638 6.14986451 7.98953727
0.00016224 0.00009051 0.00028729
0.00570840 0.00816033 -0.00079226
-9.62418497 7.22927280 -2.13844270
-0.00023979 -0.00006148 0.00046906
-0.02968740 0.00411211 0.00667357
-1.77381244 -15.16892534 23.22781421
-0.00008306 0.00019868 -0.00047348
0.05538554 -0.00408742 -0.02484452
-2.71604597 6.31038357 -6.11111834
-0.00018645 -0.00006862 0.00010479
-0.04166287 -0.00104339 0.00016446
-20.32405428 30.32304874 4.17697910
-0.00025852 -0.00074144 0.00001832
0.03005365 0.00131495 -0.00529642
7.72908427 0.47105766 7.54051224
0.00004436 0.00056484 -0.00030460
0.00841597 0.02273707 0.02790423
5.77206432 11.33951924 -13.42256968
0.00021109 -0.00052761 0.00023902
-0.01751176 -0.00738648 -0.03824051
15.58607499 2.78649507 -1.71760133
0.00018400 0.00016997 0.00022983
-0.00692805 -0.01975633 0.01097722
-4.45763311 13.13975311 -0.79406483
-0.00001795 -0.00032970 -0.00005264
0.01520566 -0.00852287 0.00978522
4.76741081 12.50920131 2.62254464
0.00021942 0.00012657 -0.00042239
0.02476685 0.03374887 0.00481407
25.09720915 -11.50465547 -9.90366274
-0.00005628 0.00006977 0.00021748
-0.04695418 0.01882431 0.02378774
16.80427021 -3.53957350 -0.73693450
0.00030939 0.00032729 -0.00016041
0.01410935 -0.00496748 -0.00369113
13.35613329 7.90408279 10.25589983
0.00047200 -0.00031027 0.00014171
0.02365194 -0.00501585 -0.03868236
1.71155870 -14.05849530 17.53535197
0.00016785 -0.00003893 -0.00014104
-0.01530957 0.00806767 0.00765572
-3.71958671 -0.70253833 -14.19473160
0.00022024 0.00011279 0.00010767
-0.03563025 0.00469747 0.05968787
15.00419528 -7.50276714 -8.85248641
-0.00011150 -0.00006735 0.00014217
-0.03131555 -0.05631246 0.01940789
8.36347460 -7.03867363 8.96752705
0.00002809 0.00017684 0.00011077
0.02139691 0.04673722 -0.03619395
-21.09957174 2.34243341 22.84349282
-0.00000849 0.00014476 -0.00001462
-0.00826873 0.00382411 -0.01430778
25.70920681 -3.13539790 -8.20780848
0.00005930 0.00024842 -0.00014896
0.00708850 -0.00783263 0.01255242
9.90573649 -13.91682187 -8.42271464
0.00007133 -0.00005460 -0.00030640
0.00529953 -0.03221820 -0.00230263
-6.72240005 -12.38538855 16.97228225
0.00007070 0.00018665 -0.00002506
0.02018866 0.03122136 0.02283092
7.63878288 2.99191908 -29.31313819
-0.00055272 -0.00049889 -0.00004053
0.02760145 -0.03762709 -0.00570258
11.06861861 15.64563770 15.39824869
0.00015065 0.00025877 -0.00013935
-0.03220363 0.00342232 0.02206125
28.75083748 6.30859177 -3.47694235
0.00015413 0.00022502 -0.00007384
0.03114836 -0.01022271 0.01466825
5.32078416 -31.92139641 -3.42203037
-0.00026342 -0.00064313 0.00027450
-0.00003273 0.00059787 -0.00680489
4.83674819 -31.39582430 -0.53259858
0.00013571 -0.00073147 -0.00053381
-0.00555334 -0.00365662 0.00279607
-12.09630005 -3.25290621 -9.19039571
-0.00044670 -0.00033644 -0.00041752
-0.00019177 0.00471450 -0.00301728
-12.30360573 -0.77413749 -10.87391766
0.00046139 0.00112455 -0.00043555
0.00943955 -0.01240098 0.01677596
-38.97010841 2.21078261 1.33042538
0.00035431 0.00068032 0.00003532
-0.00331432 -0.00019973 -0.00133333
-37.93791750 3.89881317 -0.92007257
-0.00006063 0.00049536 -0.00020043
0.00909623 -0.02611865 0.02020543
-10.72375062 -5.57892354 3.18917682
0.00039972 -0.00035516 -0.00072931
-0.01072515 0.01564293 0.01361600
-10.63216276 -2.71087049 4.03061069
0.00064490 -0.00009361 0.00073566
-0.00989025 -0.01403930 0.00184889
4.27101485 -2.28170108 8.35113451
-0.00042765 0.00076318 -0.00017171
-0.00132820 -0.02294069 0.00966402
3.70387363 -4.01765838 10.67876272
-0.00061516 -0.00074329 -0.00015530
0.00459695 0.00266113 0.00754271
-34.18561708 -1.19872776 0.09093262
-0.00082154 0.00044028 0.00035879
-0.00988242 -0.00616474 -0.00073924
-33.05096988 1.32841766 0.61213717
-0.00054753 0.00159485 -0.00056635
-0.00364094 0.00286818 -0.00038687
13.59980708 12.88136476 -15.17040603
-0.00012348 0.00024917 0.00175557
-0.01327859 0.00720993 -0.02271546
16.20872532 12.57017104 -13.99866680
-0.00044291 0.00010438 -0.00095238
-0.05061693 -0.00973274 0.01662422
-8.33409231 7.60836927 1.81824280
0.00079722 0.00016165 0.00035309
0.00616143 -0.01445977 -0.00268264
-7.29885023 4.78236885 1.26746514
0.00002826 -0.00027149 0.00029167
-0.01430396 0.03623680 0.03501569
6.22526012 12.44633876 -7.55830085
-0.00005509 0.00004591 -0.00104481
-0.00014338 -0.00399096 0.00632331
8.79035131 13.39497497 -6.49042428
0.00018187 0.00019855 0.00050048
-0.01162454 -0.00324033 0.00498382
8.64779106 8.41452888 -20.14588016
0.00076273 -0.00052959 0.00017267
0.00518178 0.01873545 0.01228004
10.52963012 10.68913592 -19.36113292
0.00084440 -0.00094311 0.00044658
-0.02120994 -0.00508653 0.00186748
24.12171710 15.82330171 -2.76515536
-0.00012419 0.00046424 0.00014442
0.00981999 -0.01084921 -0.00512594
24.17336214 18.76609029 -2.90511682
-0.00091960 0.00047200 -0.00070516
0.01190190 -0.01165535 0.00600683
1.60734855 17.02293502 -21.51087911
-0.00030397 -0.00014957 0.00099537
0.01330229 -0.01072190 0.02606988
3.58170748 15.64315973 -19.44923131
-0.00028357 -0.00010674 0.00035689
-0.02911421 0.01700962 -0.00924368
12.87290173 -1.66464489 -7.05169258
0.00070792 -0.00085985 0.00008675
-0.00954885 -0.00022986 -0.00307760
13.14894035 -0.96305294 -4.13932056
-0.00123782 -0.00045276 -0.00055488
0.00482647 -0.00166880 -0.02372175
-17.80852272 -1.91499442 2.88816833
-0.00139359 0.00024038 0.00098735
0.01650300 -0.00113598 0.00416120
-15.01313268 -2.79740860 2.73681402
-0.00003742 -0.00033091 0.00012967
0.00473816 -0.00312105 0.00892536
-16.57477033 -0.68596606 19.67627204
0.00077378 0.00070609 -0.00076661
0.00650093 0.01338817 0.00939493
-14.99043143 -3.17363384 19.83359251
0.00106887 -0.00032727 0.00038369
-0.00816327 0.00523512 -0.00763332
-0.35696194 0.51104531 -4.96690276
0.00075758 -0.00009910 -0.00027719
-0.00332407 -0.02049818 -0.00163364
-1.02941075 3.17423789 -5.02911152
0.00067750 0.00022858 -0.00021274
0.01685860 0.00816282 0.00151811
23.65419702 -8.73099596 -9.24251952
0.00122510 0.00040302 -0.00014017
-0.00865913 0.02598450 0.00936813
23.98690622 -5.78928569 -8.30248712
0.00010777 -0.00029569 0.00049059
-0.00880481 -0.00944511 -0.00631125
-0.20259327 -6.29998649 5.53111927
-0.00139528 0.00011341 -0.00008903
0.00052807 0.00341805 0.00958169
0.81178715 -6.41424709 8.25993787
0.00005316 0.00032609 -0.00007658
-0.00652702 0.00896925 -0.00556217
-0.30853677 -2.46044141 -19.54525810
-0.00016758 0.00115148 0.00015491
0.00373791 -0.01169615 -0.00010626
-3.14288201 -2.06139424 -20.45242234
-0.00017129 -0.00010363 0.00019579
0.02709935 0.00373426 0.01040749
2.86901768 3.15911262 -10.31083538
0.00013348 0.00048120 0.00046039
-0.00605688 -0.00067463 -0.00846595
1.96379189 1.67541566 -7.86498439
0.00021348 0.00002938 -0.00072716
-0.00334131 0.01561767 0.00603437
-2.21782158 16.66344324 12.31841328
0.00080848 -0.00072461 0.00026440
0.03500524 -0.02195049 0.00230471
-3.63993447 18.48830556 14.02095435
0.00078988 -0.00005383 -0.00014347
0.01102957 -0.00009447 -0.01525509
-5.41426894 5.95723770 -11.07386468
0.00087540 0.00003938 -0.00009148
-0.02763707 0.02602245 -0.00335839
-4.21947086 3.79247396 -12.27888115
0.00103021 0.00011342 0.00028434
0.00150188 -0.04256563 -0.03489405
-7.73581134 1.39825454 -7.54667110
-0.00024720 -0.00095259 -0.00058290
-0.00220510 0.02175807 -0.01745775
-6.25871366 3.18069941 -9.42683462
-0.00057889 -0.00088280 0.00090684
0.02812633 0.00252904 -0.00118396
3.07161533 27.70122733 7.08078796
0.00003268 -0.00099330 0.00023819
-0.01803229 -0.00214836 0.03469190
1.25471801 28.82326820 9.09293253
0.00047255 0.00032851 -0.00001397
-0.01224659 0.01134257 0.00172527
10.52860403 -7.23242595 -0.68509700
-0.00021887 0.00081422 0.00036497
0.01924451 -0.01086066 0.02146645
8.40539361 -7.46874845 -2.51145244
-0.00016719 -0.00031941 0.00074167
-0.01054153 -0.00426169 -0.00709713
-7.09238049 0.13540642 6.85660417
-0.00039249 -0.00022206 -0.00001834
-0.00204002 -0.00210918 0.00756655
-10.14033164 0.41890457 7.20016659
-0.00124940 0.00100430 0.00013500
0.01308226 -0.00915989 -0.00099124
21.21266567 11.00010570 10.43168056
-0.00081398 0.00086084 0.00029878
-0.00320597 -0.00628420 -0.01356125
20.40141403 12.63992756 8.27086746
-0.00035688 -0.00058491 -0.00034367
0.00632895 0.02280156 -0.01167658
-0.93523593 -3.23545708 -26.41485442
0.00085181 -0.00064328 0.00023560
-0.01154114 -0.00399500 -0.01932749
-3.48820334 -1.98938099 -26.42671581
0.00085358 0.00021760 0.00007448
0.01747245 -0.00000152 -0.02314517
-13.54949385 7.10086982 9.41690189
0.00064492 -0.00078938 0.00067409
-0.00770702 -0.00536475 -0.00403658
-15.37529547 7.37098523 7.21914335
0.00046834 -0.00008040 0.00024277
0.00843690 -0.00378040 0.00626116
-11.34376521 7.90329774 -2.27597969
-0.00035611 -0.00043001 0.00113320
0.00534159 -0.01539472 0.00452139
-8.85868726 8.14110394 -3.51034733
-0.00022541 -0.00018148 -0.00000942
0.01757690 0.00798786 -0.01212839
-1.11721674 -16.81380178 22.64886195
-0.00000445 0.00105796 -0.00050565
0.01109410 0.01024995 0.00262605
-3.39486026 -15.62518666 23.56345568
0.00101387 0.00055366 -0.00010302
-0.06969159 -0.00695442 0.01991723
-2.78039146 6.34990099 -7.95555056
-0.00048858 -0.00046966 0.00048919
0.00599343 -0.00608342 0.00403372
-4.55399548 6.61684323 -5.69022910
0.00050406 -0.00035003 0.00089467
0.03536376 -0.00044363 -0.00255228
-21.71860099 29.80458408 3.15208991
-0.00056019 0.00032619 0.00004396
-0.01302255 -0.01229585 -0.02664538
-21.28646230 30.92041438 5.52682577
-0.00071755 0.00024225 -0.00004968
-0.01366410 0.01985867 0.03768701
6.92405504 0.03364598 5.98847005
0.00068028 -0.00086455 0.00017493
-0.00418254 -0.01461754 -0.02429471
7.22834599 2.22574049 7.79403516
-0.00010706 0.00004403 0.00074884
0.00447110 -0.00322631 0.00486121
6.99510613 12.71783079 -13.06332657
-0.00080991 -0.00068684 0.00080514
0.00237874 0.00107267 -0.01155304
4.83868764 11.87857760 -14.98577863
0.00014231 0.00059292 -0.00099464
0.01941381 -0.00856769 0.03162105
14.24620846 3.89000753 -2.30899659
-0.00027650 0.00038427 0.00094628
-0.00206693 -0.00005487 -0.00441703
14.79466919 1.07959979 -1.56969144
-0.00032219 -0.00007374 0.00097170
0.01155622 0.03044309 -0.00161849
-2.89155910 12.42130932 -0.14108249
-0.00044512 -0.00099962 0.00046002
-0.00190353 0.00468267 -0.01210444
-5.51468264 12.95277442 0.71567218
-0.00028933 -0.00030836 0.00031220
-0.01069535 0.00151309 -0.00692132
3.32223059 11.53031381 2.73618388
-0.00071968 0.00043306 -0.00121658
-0.04100023 -0.03066821 0.00451004
6.14740073 11.36760138 3.03976251
-0.00080217 0.00051698 -0.00001748
0.01575600 -0.00032222 -0.00032230
25.20354642 -12.53410748 -8.44671631
-0.00023977 -0.00042108 -0.00035209
0.00668670 -0.01634664 0.01352039
26.44075354 -11.48863495 -11.11096030
-0.00067727 0.00057118 -0.00107978
0.02308599 -0.00731143 -0.02073261
15.55160082 -2.95918532 0.43239312
0.00081881 0.00116433 0.00094469
-0.01109836 -0.00699047 0.00119854
16.95509713 -5.40072153 -0.69489921
-0.00003221 -0.00053121 -0.00036022
-0.00323899 0.01258911 0.00315621
12.11912160 7.95768270 11.52674830
-0.00017796 0.00076728 -0.00066945
-0.02163765 0.00126460 0.03230433
13.37450037 9.64747843 9.61186822
-0.00003749 -0.00039760 -0.00016818
0.00938705 -0.00770048 0.00046183
-0.08375197 -14.59527434 17.45811599
0.00064106 0.00015453 -0.00008033
0.01295127 -0.00460073 -0.00976809
1.55234415 -12.64682744 18.68336896
0.00057352 0.00000459 0.00085565
0.01075746 0.00416116 -0.00060242
-3.95815778 -1.95346042 -12.77327306
0.00047944 0.00057918 0.00047777
0.00916971 0.01824949 -0.02179118
-3.03743825 -1.61995894 -15.51923630
0.00109846 -0.00121804 0.00062876
0.02156952 -0.02160825 -0.03448543
14.80190536 -8.11434513 -10.52295094
-0.00002134 0.00031737 -0.00067679
-0.00443697 -0.00681560 -0.02276040
16.22600324 -6.24445131 -8.92768753
0.00017678 -0.00011884 -0.00011415
0.04039356 0.03907837 -0.00864500
6.99386243 -5.87214613 8.34751761
0.00019291 0.00076121 0.00019908
0.00693688 -0.01090086 0.01954183
9.73667315 -6.49083437 7.76621336
0.00039450 0.00001327 0.00036899
-0.01968758 -0.01433207 0.02190907
-21.50700327 2.04420231 21.03324925
0.00151593 0.00043118 0.00045345
0.00690053 0.00335080 0.01366109
-22.40594990 1.47995307 23.82169720
-0.00019222 -0.00042547 0.00025076
0.00289792 -0.00578029 -0.00374120
26.80750151 -2.94851578 -6.73278277
0.00021202 0.00020523 -0.00036341
-0.00222287 0.00370420 -0.00744368
25.34402973 -1.46548425 -8.88624378
0.00052542 -0.00015735 -0.00016648
0.00427841 0.00449476 0.00157068
10.01806320 -15.71394128 -7.87249024
0.00021662 0.00055411 -0.00036233
-0.00780312 0.02733744 -0.00021323
9.41199751 -12.83912177 -7.03829214
-0.00012345 0.00028206 -0.00063954
-0.00795178 -0.00278419 0.00283521
-5.85506426 -11.26294609 18.26998633
0.00036369 0.00018241 0.00003603
-0.01500759 -0.02203325 -0.01964099
-6.83165443 -11.25785664 15.53250800
0.00042633 0.00048088 0.00014000
-0.00244121 -0.00125988 -0.00270189
8.48953678 1.30272661 -29.55093746
0.00082254 0.00033741 -0.00001153
-0.00319740 0.03119963 0.00887744
6.04065332 2.58743880 -30.09549947
0.00015351 -0.00068443 -0.00028540
-0.01652468 0.00453989 -0.00482169
12.61428397 14.97652893 14.54100258
-0.00106765 0.00049624 0.00074418
0.00741209 0.01163985 0.00890930
11.31551369 16.09921361 17.19594283
0.00068956 0.00069891 0.00086358
0.00240670 -0.00735881 -0.02155901
29.27167412 5.02000733 -4.73476676
-0.00056974 0.00067198 -0.00049001
-0.01115784 0.00802806 0.00378709
27.06566005 6.87103977 -3.76953514
0.00037390 0.00041652 -0.00004344
-0.01903682 0.00032435 -0.01060140
-9.95280092 4.96490604 6.51383508
-0.00001518 0.00024469 -0.00021433
0.00238432 0.00785942 0.00153558
-8.81268669 13.36444803 2.59848776
-0.00013432 0.00003955 0.00002277
-0.00167827 -0.00405075 0.00322308
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09467879
0.30841377
410.94588488
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3894262884 (a.u.)
total exchange computation time: 2.6494619846 s
-154.2067965565
-931.39854689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3885063317 (a.u.)
total exchange computation time: 2.6192109585 s
-154.2095167945
Anderson extrapolation: theta=0.8428392508 (0.8428392508)
-931.39814863
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3882123417 (a.u.)
total exchange computation time: 2.6217081547 s
-154.2133501859
Anderson extrapolation: theta=0.3768053649 (0.3768053649)
-931.39828881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3880643897 (a.u.)
total exchange computation time: 2.6188018322 s
-154.2151617509
Anderson extrapolation: theta=0.3092903522 (0.3092903522)
-931.39831078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3879974799 (a.u.)
total exchange computation time: 2.6186208725 s
-154.2159023731
Anderson extrapolation: theta=1.4992260987 (1.4992260987)
-931.39831659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3879014140 (a.u.)
total exchange computation time: 2.6210370064 s
-154.2169084549
Anderson extrapolation: theta=0.4113637060 (0.4113637060)
-931.39832227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3878753981 (a.u.)
total exchange computation time: 2.6187090874 s
-154.2171403315
Anderson extrapolation: theta=1.1336790622 (1.1336790622)
-931.39832420
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3878647244 (a.u.)
total exchange computation time: 2.6171531677 s
-154.2171894421
Anderson extrapolation: theta=0.4045934226 (0.4045934226)
-931.39832567
-117.822194 68.253755 97.713150
559.380175 1031.677689 -409.619229
441.557981 1099.931445 -311.906079
1225.605171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1309897242
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3878762238 (a.u.)
total exchange computation time: 2.6171791553 s
679.16452549
-1084.19682166
89.80420939
-388.88267469
-174.89968841
78.52611835
551.60419304
0.00000000
-931.39832612
4.07386732 -31.34067058 -2.20901952
0.00003565 -0.00044109 0.00002025
-0.00860436 0.00570109 -0.00646374
-11.53326846 -1.49748782 -9.33561215
-0.00021977 0.00024396 -0.00017221
-0.02338635 -0.00448554 -0.01999688
-37.52731127 2.39642500 0.24573435
-0.00003712 -0.00002936 0.00006804
0.00022432 0.04035285 -0.03547965
-11.74901589 -4.20750027 4.01953054
-0.00018455 0.00002251 0.00023209
0.02385401 -0.00035265 -0.01113838
4.06575746 -4.06527583 8.88761561
-0.00022276 -0.00023621 -0.00045394
0.00304832 0.02061337 -0.02041853
-32.63729120 -0.31084532 -0.05008596
-0.00060418 -0.00003369 0.00043376
0.01264262 0.00901324 0.00098079
14.28859150 12.47391662 -13.56598409
-0.00013221 0.00000753 0.00005883
0.07399343 0.00558996 0.00921968
-7.75080526 6.08978208 2.69217254
-0.00003780 0.00005379 0.00002463
0.01209469 -0.02848602 -0.02941281
7.29783411 12.23298353 -6.08728518
-0.00026143 -0.00034090 -0.00025537
0.01921984 0.01623728 -0.01624433
8.80784325 9.93618874 -19.07703255
-0.00002670 -0.00007607 -0.00016004
0.02129908 -0.02373312 -0.01494271
23.17420375 17.32981722 -2.33713734
0.00007617 -0.00000698 -0.00027088
-0.00701322 0.02132838 0.00264256
2.08732949 16.83161850 -19.65281006
-0.00007282 0.00010680 -0.00017899
0.01235633 -0.00370248 -0.00721404
13.98935626 -0.93473333 -5.80908481
0.00010691 0.00020495 -0.00009188
0.00689523 -0.00795692 0.03850410
-16.05819867 -1.38522899 3.23308878
-0.00004600 -0.00010995 -0.00007663
-0.03327951 -0.00931803 -0.00523532
-16.18236469 -2.22234753 18.79476525
0.00036802 -0.00033844 -0.00017240
0.00373933 -0.01537616 0.00217072
0.48442648 2.11783662 -4.71561659
-0.00015488 0.00010090 0.00023355
-0.01365151 0.01416981 -0.00113310
22.74319178 -7.08817461 -8.80822514
-0.00009295 0.00004266 0.00001592
0.01647373 -0.02281702 -0.00585004
-0.75945087 -6.33998550 7.29819189
0.00008089 -0.00013703 -0.00001117
0.00172088 -0.00826713 -0.00532012
-1.75382319 -1.39676548 -19.34365534
-0.00002610 -0.00017665 -0.00006831
-0.03762701 0.00829404 -0.00762775
3.15206451 1.67983218 -9.26004243
-0.00015829 -0.00030678 0.00022254
0.00785033 0.00102875 -0.00808979
-3.65326426 17.71103374 12.32200428
0.00019042 0.00009785 0.00007188
-0.02845124 0.03031084 0.01037824
-3.86049052 5.11258856 -11.20600609
-0.00030591 0.00020855 -0.00027606
0.03951354 0.02491637 0.02983404
-7.88562018 2.74747277 -8.89811280
0.00013474 -0.00008669 0.00005994
-0.03910624 -0.01923844 0.02268243
2.45931904 27.51596896 8.87923548
0.00014368 0.00010053 0.00028373
0.02341056 -0.01354950 -0.02933779
9.49512806 -6.24898271 -1.75701162
-0.00033141 -0.00006878 0.00008376
-0.00911676 0.02000360 -0.01256543
-8.67381562 0.75800900 6.13778930
0.00019965 -0.00017917 0.00027206
-0.01938271 0.00419477 -0.00334811
20.47854350 10.90136825 8.72968220
0.00017947 0.00021076 -0.00012237
0.00166499 -0.02271503 0.02202955
-1.98641684 -2.19196961 -27.58739479
0.00000803 -0.00001871 -0.00023836
-0.01914712 -0.00626996 0.04472410
-14.22633083 6.15125368 7.99384361
0.00016563 0.00009414 0.00028710
0.00747375 0.00595674 0.00002424
-9.62789636 7.22836644 -2.13138107
-0.00025454 -0.00005918 0.00047205
-0.02765563 0.00485733 0.00496630
-1.77484466 -15.16596088 23.22061619
-0.00005247 0.00019842 -0.00048646
0.06353961 0.00305562 -0.02562164
-2.71900339 6.30935025 -6.10954587
-0.00020696 -0.00006932 0.00010549
-0.03808528 -0.00169357 0.00255003
-20.32781613 30.31193225 4.17723342
-0.00024388 -0.00074018 0.00001679
0.02687085 0.00358895 -0.00064884
7.72978211 0.47961802 7.53605085
0.00004939 0.00057597 -0.00028944
0.01115994 0.02050984 0.03103688
5.77516307 11.33157664 -13.41913193
0.00020057 -0.00053131 0.00021755
-0.02339722 -0.00702130 -0.04523220
15.58880827 2.78896838 -1.71411155
0.00017976 0.00015947 0.00023553
-0.00956792 -0.02106324 0.01117570
-4.45784366 13.13477479 -0.79481666
-0.00001047 -0.00033427 -0.00004684
0.01387864 -0.00924958 0.01275822
4.77079761 12.51123000 2.61622732
0.00022955 0.00014402 -0.00042000
0.01464780 0.03411521 0.00450526
25.09618388 -11.50353633 -9.90030872
-0.00007992 0.00007993 0.00022892
-0.04500451 0.02067324 0.02067893
16.80896542 -3.53468330 -0.73935483
0.00031591 0.00032393 -0.00016150
0.01124597 -0.00810811 -0.00056273
13.36330447 7.89940935 10.25787634
0.00048402 -0.00031262 0.00012179
0.02311987 -0.00409355 -0.03879813
1.71401747 -14.05904816 17.53326597
0.00016074 -0.00003363 -0.00013628
-0.01235892 0.01256268 0.01083628
-3.71642060 -0.70082840 -14.19288632
0.00020274 0.00011426 0.00013676
-0.03240030 0.00101014 0.05343727
15.00240201 -7.50399455 -8.85027904
-0.00012710 -0.00009624 0.00015070
-0.02935878 -0.05605335 0.01377755
8.36397851 -7.03584071 8.96904898
0.00003890 0.00020096 0.00009213
0.02064558 0.04703801 -0.03628150
-21.09973104 2.34461956 22.84321831
-0.00001287 0.00014659 -0.00002003
-0.00874710 0.00330368 -0.00671620
25.71012363 -3.13170176 -8.20999453
0.00006303 0.00024358 -0.00014233
0.00742308 -0.01099455 0.01324493
9.90682692 -13.91776515 -8.42731958
0.00007399 -0.00007018 -0.00030794
0.00502013 -0.02838553 -0.00368460
-6.72126175 -12.38246837 16.97199448
0.00008116 0.00020286 -0.00001317
0.02049130 0.03183068 0.02338241
7.63059858 2.98429064 -29.31376807
-0.00053773 -0.00051766 -0.00004302
0.03066246 -0.03536390 -0.00400454
11.07075413 15.64953251 15.39624347
0.00013257 0.00026172 -0.00012524
-0.03810596 0.00803380 0.03280911
28.75326957 6.31192768 -3.47799334
0.00017015 0.00021988 -0.00006612
0.03116773 -0.00978474 0.01534619
5.31683192 -31.93102507 -3.41812138
-0.00026102 -0.00064198 0.00024293
0.00120593 -0.00003481 -0.00864947
4.83861362 -31.40690842 -0.54052008
0.00011542 -0.00074595 -0.00051668
-0.00437590 -0.00342967 0.00558963
-12.10300648 -3.25780834 -9.19675090
-0.00044530 -0.00030843 -0.00043147
0.00088035 0.00899757 -0.00381401
-12.29639563 -0.75764918 -10.87993683
0.00050043 0.00107088 -0.00036432
0.00967211 -0.01387218 0.01809330
-38.96489526 2.22098128 1.33091430
0.00033539 0.00067821 0.00003424
-0.00594900 -0.00083195 0.00080599
-37.93854823 3.90544326 -0.92245980
-0.00002209 0.00038476 -0.00011537
0.00976955 -0.02802137 0.02143139
-10.71808348 -5.58377159 3.17865447
0.00034940 -0.00028387 -0.00066820
-0.01390743 0.01925376 0.01629720
-10.62279233 -2.71270481 4.04170225
0.00060086 -0.00015419 0.00074298
-0.01166785 -0.01561846 0.00173597
4.26455936 -2.27095630 8.34885504
-0.00043413 0.00065935 -0.00012901
-0.00184293 -0.02788457 0.01123679
3.69478711 -4.02872626 10.67666434
-0.00059522 -0.00073183 -0.00012978
0.00516189 0.00294865 0.00494727
-34.19824308 -1.19231241 0.09629181
-0.00086278 0.00041584 0.00035657
-0.01030446 -0.00580006 -0.00034787
-33.05929444 1.35242828 0.60363002
-0.00055966 0.00159001 -0.00057385
-0.00229440 -0.00523789 -0.00328453
13.59754798 12.88532321 -15.14476851
-0.00018935 0.00028475 0.00164077
-0.01896285 0.01020775 -0.03348100
16.20053063 12.57143847 -14.01244303
-0.00064770 0.00006441 -0.00088282
-0.04962869 -0.00983151 0.01742397
-8.32194524 7.61035090 1.82345701
0.00082065 0.00010634 0.00033921
0.00530728 -0.01261462 -0.00411606
-7.29886469 4.77940689 1.27291313
-0.00002983 -0.00012297 0.00043375
-0.01412892 0.03646691 0.03453480
6.22442931 12.44690507 -7.57377917
-0.00005089 0.00002873 -0.00101236
0.00220073 -0.00441537 0.00955784
8.79272313 13.39785392 -6.48276430
0.00013000 0.00018199 0.00052086
-0.01376552 -0.00486633 0.00499050
8.65939072 8.40715912 -20.14291375
0.00078254 -0.00045231 0.00022360
0.00451847 0.01909344 0.01264819
10.54164617 10.67483336 -19.35437701
0.00075376 -0.00096397 0.00045505
-0.02315679 -0.00512491 0.00227846
24.12015521 15.82993285 -2.76314612
-0.00007957 0.00041416 0.00012092
0.01201942 -0.01366638 -0.00637861
24.15993291 18.77281321 -2.91551015
-0.00086918 0.00042379 -0.00067998
0.01277535 -0.01194527 0.00631758
1.60319655 17.02036288 -21.49514963
-0.00025097 -0.00019258 0.00109422
0.01264358 -0.01032939 0.02231486
3.57656186 15.64207981 -19.44416127
-0.00040215 -0.00003683 0.00031807
-0.02893496 0.01721144 -0.00975737
12.88322786 -1.67754974 -7.05048568
0.00066945 -0.00086117 0.00007245
-0.00927824 -0.00041581 -0.00392144
13.13052089 -0.96989544 -4.14837069
-0.00121510 -0.00045807 -0.00065221
0.00629949 -0.00093204 -0.02392147
-17.82892084 -1.91142351 2.90310615
-0.00131252 0.00023755 0.00100525
0.02317935 -0.00024771 0.00459924
-15.01354883 -2.80246792 2.73903254
-0.00002064 -0.00034294 0.00016620
0.00347579 -0.00276856 0.00895704
-16.56296443 -0.67496451 19.66506078
0.00080247 0.00075284 -0.00073198
0.00754539 0.00949973 0.00755752
-14.97464850 -3.17838251 19.83911399
0.00102854 -0.00030039 0.00034692
-0.01157859 0.00792244 -0.01036677
-0.34570004 0.50893073 -4.97111061
0.00074192 -0.00018280 -0.00028396
-0.00434273 -0.02047302 -0.00168478
-1.01873167 3.17791677 -5.03225617
0.00074017 0.00026393 -0.00020703
0.01382000 0.00913733 0.00128052
23.67230821 -8.72415443 -9.24433493
0.00118584 0.00050905 -0.00010149
-0.01056231 0.02591878 0.00956126
23.98825300 -5.79401049 -8.29532171
0.00007040 -0.00033272 0.00046475
-0.00949089 -0.00867904 -0.00633578
-0.22350627 -6.29818054 5.53007748
-0.00138962 0.00012741 -0.00005348
0.00223951 0.00343488 0.00782015
0.81238455 -6.40908093 8.25861869
0.00002793 0.00036259 -0.00010047
-0.00582268 0.00889913 -0.00613330
-0.31093594 -2.44352767 -19.54293775
-0.00014081 0.00109419 0.00015191
0.00936464 -0.01634454 -0.00135863
-3.14462090 -2.06283430 -20.44916660
-0.00006040 -0.00008941 0.00023697
0.02717889 0.00322682 0.00975139
2.87083431 3.16630991 -10.30418891
0.00011032 0.00047256 0.00042906
-0.00528017 -0.00355282 -0.00687020
1.96689165 1.67633494 -7.87570684
0.00019109 0.00009206 -0.00069160
-0.00761725 0.01506481 0.01136921
-2.20462178 16.65190150 12.32244990
0.00093662 -0.00080372 0.00027356
0.02772273 -0.01677825 0.00217766
-3.62774834 18.48749517 14.01833487
0.00083411 -0.00005234 -0.00020203
0.01062487 0.00082367 -0.01341137
-5.40198476 5.95862588 -11.07533981
0.00074554 0.00015260 -0.00010475
-0.03593494 0.02939959 -0.00313462
-4.20397166 3.79287099 -12.27568528
0.00103341 -0.00006678 0.00013685
0.00006269 -0.04564759 -0.03730183
-7.73958690 1.38463237 -7.55594959
-0.00025707 -0.00086212 -0.00065384
-0.00262667 0.02252983 -0.01726814
-6.26653508 3.16753493 -9.41326836
-0.00044483 -0.00086656 0.00089477
0.03749635 0.00541845 -0.00472482
3.07155304 27.68626203 7.08542392
-0.00004060 -0.00100087 0.00037836
-0.01784164 -0.00156049 0.03391865
1.26143106 28.82854340 9.09277580
0.00042195 0.00037573 -0.00000722
-0.01252567 0.01177086 0.00158295
10.52591076 -7.22054552 -0.67896472
-0.00013827 0.00076790 0.00045482
0.02020693 -0.01181358 0.02251989
8.40256269 -7.47367012 -2.50054480
-0.00021194 -0.00033896 0.00071162
-0.01136195 -0.00531228 -0.00761535
-7.09833037 0.13201082 6.85656089
-0.00039465 -0.00023373 0.00001728
0.00098432 -0.00360158 0.00987035
-10.15867172 0.43368839 7.20216121
-0.00118512 0.00096773 0.00012480
0.01837961 -0.00874043 -0.00400354
21.20035771 11.01282571 10.43574669
-0.00082683 0.00083470 0.00024316
-0.00308253 -0.00651264 -0.01366462
20.39625477 12.63185263 8.26535459
-0.00033163 -0.00048156 -0.00039412
0.00603071 0.02779111 -0.01301854
-0.92281250 -3.24522874 -26.41191264
0.00079646 -0.00065309 0.00014888
-0.01555011 -0.00080358 -0.02312201
-3.47486422 -1.98611707 -26.42630791
0.00091998 0.00021817 -0.00001694
0.01502832 0.00028225 -0.02160293
-13.54005616 7.08886471 9.42688954
0.00061214 -0.00081032 0.00065671
-0.00833950 -0.00488698 -0.00446951
-15.36801176 7.36966340 7.22297674
0.00050048 -0.00009236 0.00026763
0.00729380 -0.00207254 0.00590940
-11.34894311 7.89637585 -2.25884308
-0.00033474 -0.00049172 0.00115036
0.00511455 -0.01481432 0.00387895
-8.86152982 8.13862658 -3.51086030
-0.00015704 -0.00015101 -0.00005493
0.01589203 0.00692499 -0.01014740
-1.11694355 -16.79761821 22.64135765
0.00004389 0.00109094 -0.00049803
0.01257102 0.00589357 0.00110590
-3.38178783 -15.61709491 23.56252066
0.00070947 0.00051954 -0.00001706
-0.07931061 -0.00974607 0.02216210
-2.78753650 6.34266962 -7.94808912
-0.00046487 -0.00049413 0.00050002
0.00561066 -0.00589327 0.00126881
-4.54535092 6.61157921 -5.67688727
0.00064188 -0.00035084 0.00088451
0.03210061 0.00004681 -0.00242131
-21.72740282 29.80910015 3.15193285
-0.00061335 0.00027527 -0.00006579
-0.01300178 -0.01263098 -0.02708031
-21.29764426 30.92465672 5.52723547
-0.00076637 0.00031957 0.00009567
-0.01023535 0.01798603 0.03346200
6.93413112 0.02022986 5.99034953
0.00066018 -0.00092266 0.00007151
-0.00565975 -0.01383220 -0.02632833
7.22687715 2.22630215 7.80541671
-0.00009126 0.00003434 0.00076618
0.00326265 -0.00152144 0.00362979
6.98303042 12.70756104 -13.05160347
-0.00079468 -0.00067688 0.00075964
0.00507609 0.00380177 -0.01072060
4.84141715 11.88720890 -14.99972927
0.00022823 0.00055285 -0.00085321
0.02264790 -0.01104873 0.03760899
14.24199766 3.89576986 -2.29493773
-0.00028234 0.00038204 0.00092900
-0.00079484 -0.00103492 -0.00404284
14.79019053 1.07942654 -1.55516550
-0.00027273 0.00005473 0.00096375
0.01265288 0.03244302 -0.00227271
-2.89829425 12.40645850 -0.13455309
-0.00045292 -0.00097999 0.00040961
-0.00191159 0.00492444 -0.01257115
-5.51935031 12.94819536 0.72014308
-0.00033057 -0.00030111 0.00027891
-0.00949155 0.00203781 -0.00937538
3.31017907 11.53586997 2.71807345
-0.00087520 0.00031507 -0.00119899
-0.03513216 -0.02709105 0.00409669
6.13585102 11.37534620 3.03949036
-0.00072937 0.00050720 -0.00001602
0.01987935 -0.00446501 0.00103721
25.20015482 -12.54092452 -8.45158336
-0.00021159 -0.00048948 -0.00029526
0.00710683 -0.01713828 0.01429994
26.43130184 -11.48029129 -11.12779232
-0.00058744 0.00054008 -0.00115976
0.02089000 -0.00791256 -0.01841953
15.56354294 -2.94193460 0.44660023
0.00078032 0.00113128 0.00094276
-0.00774407 -0.00918492 -0.00214238
16.95451472 -5.40830392 -0.70020576
-0.00004647 -0.00046941 -0.00034657
-0.00374353 0.01766196 0.00352675
12.11578921 7.96923070 11.51769647
-0.00026666 0.00077100 -0.00053652
-0.02178272 0.00055582 0.03276599
13.37422561 9.64127847 9.60935970
0.00000234 -0.00042943 -0.00016714
0.01011428 -0.00788138 0.00004615
-0.07373914 -14.59309732 17.45661176
0.00068746 0.00013419 -0.00012019
0.00975768 -0.00535527 -0.00974265
1.56127664 -12.64663111 18.69618523
0.00061758 0.00001402 0.00084665
0.01080764 0.00045786 -0.00380300
-3.95068524 -1.94421352 -12.76677432
0.00051595 0.00065280 0.00039057
0.00870374 0.01778699 -0.02089171
-3.02030039 -1.63889163 -15.51086163
0.00118057 -0.00129787 0.00049957
0.01862527 -0.01747137 -0.02875574
14.80144928 -8.10979344 -10.53380027
-0.00003874 0.00029297 -0.00075845
-0.00407893 -0.00512880 -0.01721152
16.22989274 -6.24503644 -8.92966469
0.00033820 0.00003674 -0.00014878
0.03862186 0.03707880 -0.00830521
6.99696858 -5.86106208 8.35110259
0.00022287 0.00071505 0.00027902
0.00773022 -0.01169192 0.01959182
9.74198734 -6.49107442 7.77241962
0.00031343 -0.00004481 0.00045811
-0.01999644 -0.01409967 0.02171672
-21.48405281 2.05077275 21.04046969
0.00153966 0.00044230 0.00049951
0.00471176 0.00209212 0.00888438
-22.40874447 1.47339387 23.82534392
-0.00017560 -0.00044530 0.00022976
0.00524200 -0.00392395 -0.00653885
26.81061365 -2.94532388 -6.73846206
0.00020401 0.00022024 -0.00039250
-0.00169714 0.00364366 -0.00679453
25.35204207 -1.46770683 -8.88869277
0.00054132 -0.00013341 -0.00016248
0.00350740 0.00722737 0.00038468
10.02107343 -15.70479193 -7.87793168
0.00018538 0.00065803 -0.00036053
-0.00748992 0.02353369 0.00109075
9.40990213 -12.83497618 -7.04779840
-0.00015602 0.00027056 -0.00062791
-0.00799187 -0.00284633 0.00285815
-5.85006885 -11.26088506 18.26992490
0.00030159 0.00009157 -0.00004449
-0.01538842 -0.02243358 -0.01977136
-6.82533425 -11.25068201 15.53452514
0.00041602 0.00047540 0.00012867
-0.00260679 -0.00142470 -0.00284212
8.50177683 1.30874383 -29.55083843
0.00080851 0.00046244 0.00002403
-0.00366591 0.03000148 0.00853224
6.04244953 2.57731146 -30.09992818
0.00008100 -0.00066837 -0.00030752
-0.01896495 0.00332148 -0.00600714
12.59849642 14.98432914 14.55243827
-0.00102441 0.00053736 0.00077279
0.01375410 0.00849243 0.00509635
11.32593081 16.10947170 17.20823587
0.00069652 0.00066512 0.00076220
0.00100025 -0.00917949 -0.02806704
29.26278614 5.03033302 -4.74200080
-0.00061325 0.00070230 -0.00047598
-0.01014107 0.00681615 0.00307953
27.07068520 6.87729744 -3.77051155
0.00029443 0.00041889 -0.00008646
-0.01986536 0.00083695 -0.01045692
-9.95302227 4.96859748 6.51062422
-0.00001430 0.00024747 -0.00021377
0.00256555 0.00770069 0.00162151
-8.81470445 13.36503423 2.59883499
-0.00013466 0.00003858 0.00002350
-0.00124991 -0.00431172 0.00303626
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09379766
0.30452845
405.76889538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3906960931 (a.u.)
total exchange computation time: 2.7559838295 s
-154.1969221054
-931.39575566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3902736076 (a.u.)
total exchange computation time: 2.7569520473 s
-154.2007585807
Anderson extrapolation: theta=1.3904651719 (1.3904651719)
-931.39601189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3895469405 (a.u.)
total exchange computation time: 2.7562870979 s
-154.2067871713
Anderson extrapolation: theta=0.0745584826 (0.0745584826)
-931.39617877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3893803176 (a.u.)
total exchange computation time: 2.7539091110 s
-154.2078379199
Anderson extrapolation: theta=2.4321251986 (2.0000000000)
-931.39619013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3890038704 (a.u.)
total exchange computation time: 2.7590799332 s
-154.2100690478
Anderson extrapolation: theta=0.4768277342 (0.4768277342)
-931.39620614
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3888192385 (a.u.)
total exchange computation time: 2.7552621365 s
-154.2110263576
Anderson extrapolation: theta=0.8583011484 (0.8583011484)
-931.39621130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3886828596 (a.u.)
total exchange computation time: 2.7556710243 s
-154.2115925246
Anderson extrapolation: theta=0.5960949965 (0.5960949965)
-931.39621459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3886306771 (a.u.)
total exchange computation time: 2.7570641041 s
-154.2116648076
Anderson extrapolation: theta=0.6506021173 (0.6506021173)
-931.39621600
-117.850884 68.260067 97.754748
559.418106 1031.693876 -409.579628
441.567222 1099.953943 -311.824881
1225.608030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3886218961 (a.u.)
total exchange computation time: 2.7543139458 s
679.17437522
-1084.21260452
89.79884135
-388.86938914
-174.89881764
78.53356212
551.60419304
0.00000000
-931.39621664
4.07436886 -31.34726491 -2.20874070
0.00003066 -0.00043807 0.00001657
-0.01079955 0.00603961 -0.00783157
-11.53665527 -1.49384568 -9.33827239
-0.00023200 0.00024096 -0.00018248
-0.02415813 -0.00719464 -0.01993321
-37.52786715 2.39614031 0.24661806
-0.00003650 -0.00000814 0.00004905
0.00219070 0.04216363 -0.03835418
-11.75169213 -4.20716399 4.02296898
-0.00017132 0.00002189 0.00022584
0.02758133 -0.00203923 -0.01317481
4.06242789 -4.06873947 8.88072778
-0.00022124 -0.00022462 -0.00046397
0.00284390 0.02443806 -0.01859507
-32.64630519 -0.31131584 -0.04357577
-0.00059801 -0.00002718 0.00043485
0.01138010 0.01630020 0.00325377
14.28689378 12.47405115 -13.56506601
-0.00009336 0.00000968 0.00006599
0.07709528 0.00275032 0.01862106
-7.75132566 6.09047911 2.69242850
-0.00003143 0.00003875 0.00001020
0.01270372 -0.03001924 -0.02667564
7.29398678 12.22793266 -6.09117840
-0.00025155 -0.00033224 -0.00026447
0.01919086 0.01745671 -0.01912284
8.80752493 9.93495619 -19.07949075
-0.00001517 -0.00008822 -0.00016777
0.02351383 -0.02354538 -0.01512296
23.17531929 17.32979472 -2.34119034
0.00007190 0.00000470 -0.00026931
-0.00961976 0.02412103 0.00346687
2.08628488 16.83320621 -19.65552268
-0.00006637 0.00010488 -0.00018099
0.01272411 -0.00378134 -0.00058357
13.99098644 -0.93168984 -5.81031445
0.00010999 0.00020057 -0.00007201
0.00508044 -0.00904074 0.03875644
-16.05901703 -1.38691425 3.23191910
-0.00006419 -0.00011502 -0.00007934
-0.03746421 -0.01037690 -0.00528952
-16.17682996 -2.22748343 18.79218761
0.00037030 -0.00034590 -0.00017033
0.00512495 -0.01365390 0.00587732
0.48205063 2.11940471 -4.71211764
-0.00016085 0.00010775 0.00023310
-0.00958094 0.01247107 -0.00065051
22.74186115 -7.08762273 -8.80800884
-0.00008399 0.00003077 0.00001288
0.01836544 -0.02340330 -0.00600520
-0.75823096 -6.34207278 7.29800377
0.00008110 -0.00014123 -0.00001334
-0.00090038 -0.00809159 -0.00311268
-1.75435976 -1.39938322 -19.34470937
-0.00004660 -0.00017110 -0.00007168
-0.04212436 0.01327021 -0.00550061
3.14972042 1.67523440 -9.25673548
-0.00015339 -0.00030532 0.00021648
0.01119335 0.00465174 -0.01549470
-3.65051771 17.71261845 12.32312254
0.00017787 0.00011165 0.00007671
-0.02034709 0.02336004 0.00838277
-3.86492678 5.11581296 -11.21003188
-0.00028351 0.00022080 -0.00026048
0.04760338 0.02271632 0.03075758
-7.88374996 2.74609827 -8.89712619
0.00011261 -0.00009716 0.00007215
-0.04695694 -0.02148546 0.02480366
2.46156460 27.51742461 8.88337832
0.00015552 0.00009345 0.00026919
0.02260891 -0.01397615 -0.02721938
9.49012180 -6.24993724 -1.75580377
-0.00033597 -0.00005824 0.00007728
-0.00863726 0.02097738 -0.01260344
-8.67089557 0.75533762 6.14185733
0.00018761 -0.00017669 0.00027044
-0.02744695 0.00544970 -0.00294301
20.48124192 10.90444204 8.72793165
0.00018034 0.00019806 -0.00011081
0.00174643 -0.02667463 0.02290006
-1.98637031 -2.19227440 -27.59079763
-0.00000017 -0.00002277 -0.00021513
-0.01270974 -0.00954050 0.04559900
-14.22381762 6.15268881 7.99815014
0.00016993 0.00009655 0.00028731
0.00927478 0.00341594 0.00080364
-9.63182109 7.22749755 -2.12428112
-0.00026804 -0.00005648 0.00047407
-0.02484198 0.00564093 0.00286899
-1.77538669 -15.16297285 23.21322051
-0.00001879 0.00020166 -0.00049957
0.06746798 0.00956281 -0.02538108
-2.72225463 6.30830387 -6.10795373
-0.00022530 -0.00007039 0.00010737
-0.03324667 -0.00244397 0.00476405
-20.33137068 30.30084344 4.17748272
-0.00023128 -0.00073769 0.00001774
0.02213692 0.00609362 0.00434322
7.73056605 0.48833662 7.53182890
0.00005571 0.00058578 -0.00027300
0.01340109 0.01765935 0.03289928
5.77808132 11.32357988 -13.41604314
0.00018727 -0.00053489 0.00019287
-0.02829191 -0.00688126 -0.05074459
15.59146774 2.79127919 -1.71053555
0.00017423 0.00014856 0.00024127
-0.01192395 -0.02138054 0.01116306
-4.45794715 13.12972512 -0.79547006
-0.00000373 -0.00033916 -0.00003960
0.01231643 -0.00976277 0.01538024
4.77429742 12.51352188 2.60994475
0.00023412 0.00016136 -0.00041779
0.00312849 0.03333396 0.00409060
25.09481141 -11.50225771 -9.89679517
-0.00010228 0.00009089 0.00023870
-0.04191038 0.02194563 0.01735698
16.81374739 -3.52985564 -0.74177950
0.00032091 0.00031913 -0.00016096
0.00821766 -0.01055552 0.00265792
13.37065401 7.89470433 10.25955353
0.00049543 -0.00031452 0.00010220
0.02122637 -0.00333365 -0.03737307
1.71638089 -14.05950411 17.53126357
0.00015528 -0.00002607 -0.00012993
-0.00886146 0.01684449 0.01385397
-3.71350445 -0.69911068 -14.19062878
0.00018718 0.00011369 0.00016212
-0.02809815 -0.00319952 0.04516186
15.00038225 -7.50565439 -8.84796538
-0.00014128 -0.00012453 0.00015621
-0.02577863 -0.05395574 0.00762654
8.36464171 -7.03264490 8.97029101
0.00004920 0.00022499 0.00007369
0.01940960 0.04643076 -0.03542353
-21.09995781 2.34683119 22.84289199
-0.00001743 0.00014819 -0.00002142
-0.00900016 0.00291469 0.00132009
25.71109771 -3.12809045 -8.21207839
0.00006677 0.00023713 -0.00013551
0.00713882 -0.01407518 0.01327738
9.90795607 -13.91892741 -8.43195294
0.00007648 -0.00008355 -0.00031026
0.00465933 -0.02360315 -0.00533142
-6.71996536 -12.37930263 16.97188710
0.00009164 0.00021922 -0.00000120
0.02029307 0.03176985 0.02318660
7.62265083 2.97638938 -29.31442884
-0.00052144 -0.00053504 -0.00004466
0.03270044 -0.03224040 -0.00237329
11.07259567 15.65348930 15.39449137
0.00011139 0.00026703 -0.00010585
-0.04425325 0.01261027 0.04259242
28.75594211 6.31518810 -3.47892594
0.00018591 0.00021509 -0.00005809
0.03010558 -0.00884261 0.01587709
5.31295359 -31.94065586 -3.41474249
-0.00025382 -0.00064333 0.00020418
0.00231603 -0.00062537 -0.01031617
4.84021085 -31.41820273 -0.54809901
0.00009996 -0.00075952 -0.00048817
-0.00319513 -0.00321442 0.00836555
-12.10965896 -3.26215905 -9.20333984
-0.00043972 -0.00026371 -0.00044848
0.00184787 0.01289440 -0.00451083
-12.28859276 -0.74201104 -10.88484712
0.00053984 0.00101183 -0.00028882
0.00962003 -0.01503490 0.01886055
-38.96004669 2.23112896 1.33145263
0.00030612 0.00067366 0.00004163
-0.00837777 -0.00139748 0.00281163
-37.93858021 3.91035603 -0.92353359
0.00001882 0.00026773 -0.00002634
0.01025669 -0.02926802 0.02214609
-10.71326868 -5.58743966 3.16913092
0.00028752 -0.00019970 -0.00059709
-0.01638344 0.02194732 0.01850782
-10.61413697 -2.71549632 4.05290020
0.00055023 -0.00022026 0.00074984
-0.01311666 -0.01671879 0.00161786
4.25799093 -2.26192046 8.34726423
-0.00044242 0.00053729 -0.00008061
-0.00221638 -0.03186569 0.01245533
3.68601693 -4.03961342 10.67486917
-0.00057289 -0.00071918 -0.00011506
0.00576874 0.00324571 0.00225918
-34.21150059 -1.18625253 0.10162968
-0.00090481 0.00039337 0.00035583
-0.01026990 -0.00519877 -0.00001249
-33.06775962 1.37611789 0.59492156
-0.00056653 0.00155286 -0.00059245
-0.00106912 -0.01294738 -0.00581872
13.59412672 12.88990726 -15.12118291
-0.00027794 0.00033244 0.00148370
-0.02440695 0.01313524 -0.04340833
16.18929440 12.57210336 -14.02515142
-0.00084618 0.00002420 -0.00081064
-0.04753139 -0.00985107 0.01790786
-8.30947290 7.61155942 1.82841897
0.00084044 0.00005911 0.00031930
0.00437922 -0.01050311 -0.00562784
-7.29974507 4.77867984 1.28047761
-0.00008678 0.00002511 0.00057256
-0.01374953 0.03601819 0.03341195
6.22373337 12.44720078 -7.58867172
-0.00003750 0.00000959 -0.00096742
0.00435334 -0.00495354 0.01244426
8.79425132 13.40043463 -6.47479848
0.00007027 0.00015962 0.00054097
-0.01547164 -0.00608513 0.00485108
8.67126730 8.40095951 -20.13917219
0.00079947 -0.00037470 0.00027522
0.00376726 0.01889712 0.01262074
10.55224304 10.66021672 -19.34748146
0.00065605 -0.00098453 0.00046503
-0.02467614 -0.00493563 0.00260510
24.11932994 15.83572643 -2.76152780
-0.00002660 0.00035347 0.00009276
0.01391141 -0.01604145 -0.00740307
24.14728663 18.77880404 -2.92551631
-0.00081525 0.00037461 -0.00065371
0.01362756 -0.01212858 0.00654200
1.59981943 17.01715770 -21.47805257
-0.00020156 -0.00023369 0.00117278
0.01154227 -0.00979394 0.01614172
3.56964292 15.64205471 -19.43968923
-0.00051858 0.00003275 0.00027732
-0.02805508 0.01684935 -0.01019124
12.89298536 -1.69048007 -7.04951911
0.00063275 -0.00086281 0.00005529
-0.00869106 -0.00038758 -0.00447875
13.11248749 -0.97679506 -4.15888687
-0.00118687 -0.00046036 -0.00074913
0.00751534 -0.00018950 -0.02352151
-17.84789839 -1.90786778 2.91832584
-0.00120588 0.00023789 0.00102441
0.02902056 0.00041320 0.00478191
-15.01375195 -2.80769692 2.74180001
-0.00000902 -0.00035339 0.00020292
0.00221399 -0.00234551 0.00901835
-16.55069609 -0.66338075 19.65431270
0.00083539 0.00078324 -0.00070521
0.00856756 0.00538182 0.00554641
-14.95957518 -3.18264564 19.84400014
0.00097542 -0.00026363 0.00029942
-0.01442441 0.01007300 -0.01288698
-0.33470430 0.50556143 -4.97542171
0.00072258 -0.00026509 -0.00029081
-0.00512743 -0.01981123 -0.00166682
-1.00720561 3.18215565 -5.03532235
0.00078990 0.00030344 -0.00020246
0.01052396 0.01020697 0.00095600
23.68977208 -8.71572444 -9.24556437
0.00113928 0.00061364 -0.00006237
-0.01222621 0.02527775 0.00959089
23.98901813 -5.79926720 -8.28854460
0.00003070 -0.00036605 0.00043908
-0.00994064 -0.00763547 -0.00622786
-0.24428201 -6.29616408 5.52951495
-0.00137715 0.00014145 -0.00002542
0.00386846 0.00343656 0.00591358
0.81262510 -6.40336938 8.25692364
0.00000601 0.00039879 -0.00012637
-0.00490576 0.00882130 -0.00654064
-0.31276120 -2.42761562 -19.54070066
-0.00009169 0.00101876 0.00014393
0.01468349 -0.02057884 -0.00254966
-3.14469409 -2.06407660 -20.44531323
0.00004956 -0.00007770 0.00027461
0.02664794 0.00250497 0.00867442
2.87232735 3.17328946 -10.29796349
0.00009034 0.00045216 0.00040413
-0.00450034 -0.00643615 -0.00533425
1.96952459 1.67817748 -7.88573251
0.00015131 0.00015246 -0.00063437
-0.01185709 0.01450093 0.01664931
-2.18972296 16.63933150 12.32661999
0.00103399 -0.00086089 0.00028218
0.01993959 -0.01120626 0.00204184
-3.61491105 18.48673526 14.01489346
0.00087670 -0.00004669 -0.00025229
0.01022323 0.00194173 -0.01119281
-5.39190289 5.96181585 -11.07700705
0.00058419 0.00027818 -0.00011747
-0.04304666 0.03207241 -0.00309197
-4.18846861 3.79047045 -12.27477550
0.00103176 -0.00025504 -0.00001684
-0.00086941 -0.04650466 -0.03793205
-7.74352344 1.37239097 -7.56628637
-0.00026862 -0.00076935 -0.00072320
-0.00302528 0.02287985 -0.01668426
-6.27205850 3.15470253 -9.39999166
-0.00027479 -0.00083927 0.00086918
0.04573749 0.00794179 -0.00779745
3.07039730 27.67120110 7.09213863
-0.00011238 -0.00100598 0.00051346
-0.01729376 -0.00093641 0.03221477
1.26737646 28.83454000 9.09271608
0.00037125 0.00042351 -0.00000116
-0.01229088 0.01161870 0.00138174
10.52445590 -7.20938909 -0.67145229
-0.00005541 0.00071911 0.00054730
0.02035638 -0.01206725 0.02274781
8.39903545 -7.47891735 -2.49010387
-0.00025930 -0.00036220 0.00068001
-0.01182230 -0.00606074 -0.00785873
-7.10421993 0.12839450 6.85712253
-0.00038457 -0.00025141 0.00006211
0.00395041 -0.00505312 0.01207687
-10.17588539 0.44793655 7.20391046
-0.00110021 0.00093251 0.00010304
0.02318808 -0.00849973 -0.00664819
21.18786083 11.02514659 10.43897536
-0.00083886 0.00080772 0.00018786
-0.00280483 -0.00669026 -0.01340634
20.39146512 12.62548091 8.25904386
-0.00030760 -0.00035987 -0.00044952
0.00573281 0.03177340 -0.01409828
-0.91134208 -3.25504966 -26.41038793
0.00072592 -0.00065091 0.00004798
-0.01897840 0.00186998 -0.02626913
-3.46060407 -1.98283585 -26.42722398
0.00097516 0.00022011 -0.00010098
0.01198428 0.00066478 -0.01953604
-13.53112956 7.07656010 9.43660328
0.00057702 -0.00082912 0.00063796
-0.00885206 -0.00431397 -0.00470946
-15.36028105 7.36821456 7.22717229
0.00052753 -0.00009701 0.00029073
0.00594633 -0.00020497 0.00539847
-11.35380755 7.88854604 -2.24146875
-0.00031496 -0.00055073 0.00116474
0.00457025 -0.01406980 0.00315752
-8.86339842 8.13657363 -3.51199516
-0.00009613 -0.00012534 -0.00009151
0.01392523 0.00563946 -0.00776130
-1.11589993 -16.78107345 22.63392112
0.00009821 0.00110545 -0.00049683
0.01401740 0.00120828 -0.00052117
-3.37357604 -15.60960045 23.56294386
0.00037387 0.00047594 0.00007652
-0.08496907 -0.01159420 0.02364718
-2.79433768 6.33507707 -7.94054991
-0.00044284 -0.00051784 0.00049939
0.00517473 -0.00571421 -0.00157972
-4.53473904 6.60631806 -5.66369383
0.00076449 -0.00034941 0.00087541
0.02791551 0.00065081 -0.00203316
-21.73700148 29.81284212 3.15011614
-0.00066492 0.00022372 -0.00017577
-0.01224399 -0.01260247 -0.02675620
-21.30945351 30.93000134 5.52969593
-0.00079994 0.00038802 0.00022158
-0.00619377 0.01552052 0.02816886
6.94386035 0.00596603 5.99061544
0.00063509 -0.00097693 -0.00003797
-0.00662063 -0.01273055 -0.02726499
7.22560827 2.22677056 7.81702071
-0.00008053 0.00003179 0.00077854
0.00199071 0.00027741 0.00241912
6.97126580 12.69752428 -13.04053740
-0.00076852 -0.00065587 0.00071774
0.00772787 0.00648391 -0.00978816
4.84553465 11.89516306 -15.01137499
0.00032563 0.00050332 -0.00068998
0.02502710 -0.01319768 0.04229478
14.23773815 3.90146876 -2.28112663
-0.00028278 0.00037574 0.00091330
0.00058345 -0.00204900 -0.00364305
14.78648731 1.08124161 -1.54077886
-0.00021949 0.00018957 0.00095322
0.01340676 0.03356160 -0.00288117
-2.90514656 12.39190949 -0.12879412
-0.00046038 -0.00095959 0.00035759
-0.00174353 0.00506526 -0.01289286
-5.52459969 12.94374120 0.72403940
-0.00036682 -0.00029177 0.00023583
-0.00825373 0.00253139 -0.01171053
3.29597444 11.53976583 2.70021409
-0.00100367 0.00021327 -0.00118300
-0.02775231 -0.02273723 0.00372957
6.12551963 11.38281738 3.03928178
-0.00064034 0.00048073 -0.00000902
0.02370131 -0.00849059 0.00239326
25.19719877 -12.54879190 -8.45557402
-0.00018192 -0.00056014 -0.00023657
0.00741792 -0.01745014 0.01442773
26.42313042 -11.47243255 -11.14575320
-0.00050801 0.00050653 -0.00122890
0.01799127 -0.00851277 -0.01542533
15.57501046 -2.92524678 0.46067606
0.00075540 0.00108930 0.00092705
-0.00445686 -0.01136522 -0.00554823
16.95370288 -5.41480387 -0.70529617
-0.00006257 -0.00038820 -0.00033142
-0.00413457 0.02209052 0.00388654
12.11112184 7.98081277 11.51065275
-0.00035349 0.00077181 -0.00040417
-0.02072067 -0.00015934 0.03201813
13.37457071 9.63459549 9.60685402
0.00004509 -0.00046157 -0.00016788
0.01081127 -0.00785170 -0.00041015
-0.06312831 -14.59124850 17.45451044
0.00072013 0.00011070 -0.00015984
0.00623508 -0.00614670 -0.00967062
1.57087149 -12.64640672 18.70876843
0.00066158 0.00000876 0.00082482
0.01073218 -0.00303228 -0.00688483
-3.94267928 -1.93387653 -12.76155595
0.00055031 0.00072353 0.00030823
0.00811753 0.01683617 -0.01941619
-3.00202106 -1.65889508 -15.50424929
0.00124915 -0.00135879 0.00039592
0.01494557 -0.01235044 -0.02197995
14.80074322 -8.10555608 -10.54570443
-0.00005462 0.00027563 -0.00081665
-0.00369597 -0.00335809 -0.01127944
16.23614924 -6.24334915 -8.93215085
0.00048934 0.00018103 -0.00018196
0.03536448 0.03355125 -0.00793806
7.00054849 -5.85069459 8.35588828
0.00025543 0.00066634 0.00035873
0.00821072 -0.01215206 0.01942333
9.74607603 -6.49217859 7.77995681
0.00023248 -0.00010133 0.00054519
-0.01963045 -0.01356729 0.02090718
-21.46081358 2.05747140 21.04823463
0.00155446 0.00044814 0.00052506
0.00253349 0.00076355 0.00362260
-22.41121777 1.46659418 23.82858990
-0.00014977 -0.00045769 0.00019760
0.00740163 -0.00214301 -0.00920088
26.81362177 -2.94190867 -6.74455777
0.00019962 0.00023548 -0.00041729
-0.00045171 0.00381707 -0.00533794
25.36026936 -1.46948647 -8.89111820
0.00055418 -0.00009860 -0.00016322
0.00278818 0.00981237 -0.00074659
10.02362464 -15.69420028 -7.88330628
0.00015556 0.00074464 -0.00035290
-0.00710895 0.01886098 0.00264462
9.40731695 -12.83100503 -7.05712950
-0.00018882 0.00025972 -0.00061604
-0.00806540 -0.00245860 0.00295114
-5.84601654 -11.26019889 18.26865175
0.00023872 0.00000012 -0.00012443
-0.01538867 -0.02233201 -0.01936136
-6.81917384 -11.24359469 15.53636809
0.00040501 0.00046921 0.00011686
-0.00278336 -0.00160310 -0.00293698
8.51379222 1.31659973 -29.55021650
0.00079314 0.00058128 0.00005796
-0.00386013 0.02817204 0.00807541
6.04308345 2.56738769 -30.10472505
-0.00000030 -0.00065721 -0.00033403
-0.02083399 0.00213943 -0.00697136
12.58355181 14.99264983 14.56418629
-0.00095437 0.00056513 0.00078520
0.02053017 0.00510028 0.00097872
11.33640924 16.11916722 17.21880878
0.00069788 0.00062451 0.00063651
-0.00033552 -0.01069792 -0.03346020
29.25327665 5.04107645 -4.74904611
-0.00065237 0.00072733 -0.00046515
-0.00900988 0.00543548 0.00221891
27.07449287 6.88360641 -3.77212882
0.00021318 0.00042287 -0.00012851
-0.01990786 0.00111466 -0.01012834
-9.95322984 4.97233027 6.50742207
-0.00001335 0.00025020 -0.00021317
0.00273412 0.00753105 0.00173731
-8.81672657 13.36560541 2.59919278
-0.00013492 0.00003757 0.00002419
-0.00097364 -0.00434898 0.00293459
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09470199
0.30151465
401.75315331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3899913409 (a.u.)
total exchange computation time: 2.7550787926 s
-154.1937400718
-931.39404329
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3896920903 (a.u.)
total exchange computation time: 2.7546670437 s
-154.1973152186
Anderson extrapolation: theta=1.3764038705 (1.3764038705)
-931.39430417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3892455175 (a.u.)
total exchange computation time: 2.7547240257 s
-154.2024919732
Anderson extrapolation: theta=0.0667246887 (0.0667246887)
-931.39446971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3891883912 (a.u.)
total exchange computation time: 2.7596590519 s
-154.2030831926
Anderson extrapolation: theta=2.2966564129 (2.0000000000)
-931.39447927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3890735444 (a.u.)
total exchange computation time: 2.7563560009 s
-154.2042164546
Anderson extrapolation: theta=0.4026139969 (0.4026139969)
-931.39449191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3890412740 (a.u.)
total exchange computation time: 2.7563838959 s
-154.2044965964
Anderson extrapolation: theta=1.0472855865 (1.0472855865)
-931.39449546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3890323236 (a.u.)
total exchange computation time: 2.7596988678 s
-154.2045291687
Anderson extrapolation: theta=0.4895107049 (0.4895107049)
-931.39449810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3890514341 (a.u.)
total exchange computation time: 2.7554278374 s
-154.2043104940
Anderson extrapolation: theta=0.7580621042 (0.7580621042)
-931.39449903
-117.879130 68.268401 97.786363
559.455180 1031.709252 -409.540828
441.576049 1099.977654 -311.754465
1225.614577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3890822377 (a.u.)
total exchange computation time: 2.7564618587 s
679.18913329
-1084.23326942
89.79199308
-388.85405197
-174.89922221
78.54147694
551.60419304
0.00000000
-931.39449948
4.07478709 -31.35381264 -2.20852230
0.00002459 -0.00043489 0.00001217
-0.01278208 0.00630545 -0.00927931
-11.54022846 -1.49025905 -9.34108642
-0.00024452 0.00023660 -0.00019260
-0.02453803 -0.00976288 -0.01942583
-37.52840613 2.39618090 0.24720588
-0.00003491 0.00001383 0.00002877
0.00397675 0.04324077 -0.04051841
-11.75415558 -4.20684344 4.02630578
-0.00015635 0.00002046 0.00021863
0.03062674 -0.00354421 -0.01485976
4.05912026 -4.07201458 8.87369650
-0.00021987 -0.00021132 -0.00047297
0.00248812 0.02729196 -0.01641046
-32.65523139 -0.31166061 -0.03704049
-0.00059255 -0.00001714 0.00043703
0.00982461 0.02272177 0.00522179
14.28579082 12.47420690 -13.56400427
-0.00005334 0.00001042 0.00007765
0.07852435 0.00014971 0.02669425
-7.75174806 6.09094456 2.69247866
-0.00002478 0.00002305 -0.00000265
0.01314586 -0.03103722 -0.02329547
7.29028750 12.22301647 -6.09521914
-0.00024169 -0.00032287 -0.00027492
0.01915754 0.01897384 -0.02154363
8.80738802 9.93354200 -19.08206563
-0.00000261 -0.00010021 -0.00017548
0.02535188 -0.02306807 -0.01486181
23.17636061 17.32995830 -2.34521661
0.00006637 0.00001765 -0.00026740
-0.01185276 0.02622514 0.00396753
2.08533843 16.83476475 -19.65823980
-0.00005977 0.00010299 -0.00017938
0.01294095 -0.00353584 0.00685802
13.99265582 -0.92871610 -5.81124510
0.00011213 0.00019559 -0.00005222
0.00327822 -0.01034988 0.03819949
-16.06012442 -1.38867956 3.23070862
-0.00008431 -0.00012058 -0.00008204
-0.04077060 -0.01124892 -0.00519849
-16.17125570 -2.23272467 18.78965531
0.00037332 -0.00035227 -0.00016637
0.00662831 -0.01109986 0.00953257
0.47960087 2.12106902 -4.70862371
-0.00016475 0.00011354 0.00023288
-0.00559051 0.01005936 -0.00019434
22.74067220 -7.08725141 -8.80783887
-0.00007419 0.00001866 0.00000976
0.01973904 -0.02369781 -0.00612026
-0.75701799 -6.34422248 7.29779163
0.00007993 -0.00014535 -0.00001439
-0.00362861 -0.00793490 -0.00096753
-1.75522130 -1.40189857 -19.34580583
-0.00006912 -0.00016310 -0.00007390
-0.04541648 0.01783812 -0.00311692
3.14746268 1.67067251 -9.25354806
-0.00014684 -0.00030202 0.00020673
0.01429081 0.00818114 -0.02241476
-3.64792814 17.71438337 12.32430547
0.00016949 0.00012182 0.00008045
-0.01223945 0.01616980 0.00617434
-3.86899580 5.11921260 -11.21382038
-0.00025750 0.00023158 -0.00024483
0.05355720 0.01918871 0.03008844
-7.88224200 2.74455801 -8.89594824
0.00008689 -0.00010854 0.00008518
-0.05303768 -0.02276420 0.02585571
2.46398459 27.51877244 8.88731118
0.00016673 0.00008629 0.00025598
0.02098604 -0.01385143 -0.02415272
9.48504891 -6.25072993 -1.75469314
-0.00034018 -0.00004745 0.00007094
-0.00774689 0.02099221 -0.01204435
-8.66818726 0.75270827 6.14590265
0.00017164 -0.00017354 0.00026897
-0.03468214 0.00679892 -0.00280148
20.48395382 10.90731005 8.72635777
0.00018122 0.00018363 -0.00009899
0.00164827 -0.02945047 0.02308151
-1.98642183 -2.19265280 -27.59384869
-0.00000504 -0.00002842 -0.00019173
-0.00624510 -0.01241847 0.04539996
-14.22123286 6.15415029 8.00246286
0.00017517 0.00009761 0.00028790
0.01111084 0.00068504 0.00150145
-9.63593748 7.22667218 -2.11715904
-0.00027996 -0.00005337 0.00047495
-0.02153969 0.00644210 0.00055416
-1.77540822 -15.15991105 23.20562902
0.00001577 0.00020801 -0.00051231
0.06691611 0.01513661 -0.02416535
-2.72576235 6.30723863 -6.10632483
-0.00024092 -0.00007186 0.00011031
-0.02749985 -0.00329202 0.00668212
-20.33475444 30.28980165 4.17776554
-0.00022138 -0.00073388 0.00002124
0.01633526 0.00870738 0.00928548
7.73145337 0.49719145 7.52786076
0.00006305 0.00059404 -0.00025591
0.01514147 0.01444175 0.03356488
5.78078130 11.31553002 -13.41334582
0.00017171 -0.00053844 0.00016565
-0.03224312 -0.00692472 -0.05509393
15.59403522 2.79342506 -1.70687344
0.00016757 0.00013769 0.00024698
-0.01396966 -0.02086860 0.01105906
-4.45795562 13.12460013 -0.79600481
0.00000217 -0.00034427 -0.00003110
0.01063760 -0.01012011 0.01770597
4.77782136 12.51607093 2.60369374
0.00023266 0.00017813 -0.00041580
-0.00882124 0.03186785 0.00364818
25.09311562 -11.50080978 -9.89314771
-0.00012288 0.00010237 0.00024681
-0.03821518 0.02273229 0.01417531
16.81859276 -3.52510942 -0.74418367
0.00032439 0.00031323 -0.00015878
0.00532163 -0.01239249 0.00580515
13.37816732 7.88997360 10.26094240
0.00050557 -0.00031608 0.00008363
0.01822170 -0.00272919 -0.03484044
1.71867595 -14.05983011 17.52936806
0.00015171 -0.00001637 -0.00012209
-0.00501927 0.02085177 0.01662515
-3.71080507 -0.69741764 -14.18802284
0.00017397 0.00011093 0.00018295
-0.02327112 -0.00753956 0.03585777
14.99816362 -7.50773048 -8.84559288
-0.00015331 -0.00015143 0.00015851
-0.02101969 -0.05065535 0.00135345
8.36545464 -7.02909089 8.97125976
0.00005879 0.00024857 0.00005588
0.01784998 0.04524110 -0.03385091
-21.10025402 2.34906531 22.84257586
-0.00002208 0.00014964 -0.00001864
-0.00907294 0.00269776 0.00946278
25.71212688 -3.12458772 -8.21405982
0.00007041 0.00022918 -0.00012868
0.00701425 -0.01683974 0.01330024
9.90912117 -13.92027176 -8.43662744
0.00007873 -0.00009423 -0.00031340
0.00411970 -0.01792860 -0.00686076
-6.71851242 -12.37589179 16.97195860
0.00010194 0.00023543 0.00001053
0.01974523 0.03127094 0.02241511
7.61495536 2.96823940 -29.31510793
-0.00050435 -0.00055068 -0.00004551
0.03375046 -0.02856304 -0.00091350
11.07409581 15.65754337 15.39306785
0.00008700 0.00027464 -0.00008170
-0.05060020 0.01700565 0.05133231
28.75884690 6.31838030 -3.47973604
0.00020091 0.00021089 -0.00004980
0.02820093 -0.00749095 0.01636353
5.30921719 -31.95032497 -3.41199584
-0.00024237 -0.00064689 0.00015896
0.00329302 -0.00111748 -0.01182104
4.84161228 -31.42969404 -0.55516526
0.00008924 -0.00077225 -0.00044858
-0.00205074 -0.00301861 0.01101667
-12.11619819 -3.26571951 -9.21020522
-0.00043041 -0.00020403 -0.00046815
0.00270946 0.01631851 -0.00511775
-12.28020031 -0.72729433 -10.88860153
0.00057851 0.00094869 -0.00021138
0.00930565 -0.01586920 0.01904751
-38.95571157 2.24119100 1.33216326
0.00026760 0.00066692 0.00005673
-0.01048051 -0.00189932 0.00458129
-37.93798360 3.91347506 -0.92325013
0.00006134 0.00014688 0.00006460
0.01055857 -0.02988685 0.02237197
-10.70945796 -5.58976266 3.16074164
0.00021649 -0.00010576 -0.00051775
-0.01838265 0.02403630 0.02033388
-10.60628548 -2.71931247 4.06419730
0.00049437 -0.00028984 0.00075616
-0.01422520 -0.01734198 0.00147583
4.25128666 -2.25483754 8.34643675
-0.00045197 0.00040100 -0.00002800
-0.00245913 -0.03485190 0.01329742
3.67760031 -4.05030167 10.67321246
-0.00054804 -0.00070534 -0.00011149
0.00639716 0.00352722 -0.00050960
-34.22538751 -1.18051126 0.10696678
-0.00094583 0.00037380 0.00035630
-0.00980572 -0.00438177 0.00024062
-33.07629032 1.39901400 0.58585650
-0.00056873 0.00148550 -0.00062054
-0.00000870 -0.02002628 -0.00793363
13.58920965 12.89529631 -15.10025764
-0.00038752 0.00039145 0.00128935
-0.02922992 0.01575208 -0.05172749
16.17514515 12.57216452 -14.03676231
-0.00103371 -0.00001592 -0.00073723
-0.04426669 -0.00979003 0.01802806
-8.29673218 7.61212425 1.83303602
0.00085634 0.00002094 0.00029314
0.00340763 -0.00818273 -0.00717875
-7.30146809 4.78016021 1.29008979
-0.00014176 0.00016991 0.00070543
-0.01316239 0.03486426 0.03163233
6.22330423 12.44719291 -7.60280162
-0.00001607 -0.00001138 -0.00091125
0.00613864 -0.00531127 0.01504796
8.79483132 13.40264240 -6.46653535
0.00000402 0.00013231 0.00056037
-0.01695884 -0.00728245 0.00464843
8.68337476 8.39591804 -20.13465714
0.00081318 -0.00029903 0.00032594
0.00294325 0.01814303 0.01220808
10.56132760 10.64529758 -19.34042626
0.00055310 -0.00100384 0.00047616
-0.02571706 -0.00451718 0.00284596
24.11935725 15.84053689 -2.76036319
0.00003337 0.00028421 0.00006084
0.01544186 -0.01785891 -0.00822376
24.13547552 18.78405157 -2.93512153
-0.00075777 0.00032502 -0.00062662
0.01450541 -0.01214520 0.00671830
1.59714969 17.01335228 -21.45996624
-0.00015733 -0.00027243 0.00122443
0.01011009 -0.00917091 0.00914038
3.56100459 15.64306224 -19.43584177
-0.00063019 0.00009989 0.00023518
-0.02658121 0.01601524 -0.01043670
12.90221021 -1.70343415 -7.04882702
0.00059906 -0.00086389 0.00003644
-0.00779616 -0.00013895 -0.00474548
13.09491469 -0.98370629 -4.17084460
-0.00115428 -0.00045964 -0.00084319
0.00843820 0.00054239 -0.02252075
-17.86509738 -1.90428672 2.93383859
-0.00107727 0.00024044 0.00104385
0.03393803 0.00083131 0.00473054
-15.01381939 -2.81306966 2.74512017
-0.00000251 -0.00036199 0.00023990
0.00097360 -0.00186540 0.00908430
-16.53790269 -0.65146717 19.64390453
0.00087248 0.00079622 -0.00068674
0.00958544 0.00097117 0.00349355
-14.94538587 -3.18629143 19.84809649
0.00091145 -0.00021872 0.00024264
-0.01688829 0.01191239 -0.01490504
-0.32402279 0.50097798 -4.97983496
0.00070048 -0.00034336 -0.00029741
-0.00568778 -0.01850083 -0.00156203
-0.99503458 3.18702006 -5.03832994
0.00082579 0.00034748 -0.00019938
0.00704181 0.01134872 0.00055279
23.70648665 -8.70574528 -9.24620602
0.00108647 0.00071447 -0.00002345
-0.01362468 0.02408091 0.00945842
23.98917404 -5.80499186 -8.28214917
-0.00001040 -0.00039463 0.00041410
-0.01017647 -0.00635882 -0.00600177
-0.26482067 -6.29393701 5.52931485
-0.00135811 0.00015551 -0.00000547
0.00545230 0.00344626 0.00385469
0.81256499 -6.39711720 8.25482773
-0.00001178 0.00043467 -0.00015365
-0.00380478 0.00873942 -0.00681453
-0.31368655 -2.41296477 -19.53861983
-0.00002208 0.00092727 0.00013136
0.01939074 -0.02420540 -0.00360217
-3.14313414 -2.06516538 -20.44092825
0.00015611 -0.00006937 0.00030703
0.02550915 0.00157235 0.00719245
2.87354457 3.17987457 -10.29206499
0.00007350 0.00042022 0.00038519
-0.00374467 -0.00919880 -0.00393871
1.97143084 1.68090874 -7.89473782
0.00009469 0.00021060 -0.00055617
-0.01585653 0.01395988 0.02162892
-2.17360212 16.62607470 12.33091521
0.00109942 -0.00089513 0.00029020
0.01209123 -0.00555197 0.00188569
-3.60144722 18.48609435 14.01076608
0.00091767 -0.00003614 -0.00029286
0.00983082 0.00322588 -0.00866353
-5.38445919 5.96697142 -11.07886379
0.00039726 0.00041267 -0.00013049
-0.04845686 0.03376009 -0.00328492
-4.17301885 3.78521982 -12.27619043
0.00102724 -0.00044197 -0.00016935
-0.00134384 -0.04499708 -0.03672589
-7.74764539 1.36155179 -7.57764567
-0.00028173 -0.00067608 -0.00078936
-0.00339495 0.02277702 -0.01570258
-6.27477884 3.14235686 -9.38719283
-0.00007477 -0.00080274 0.00083242
0.05217561 0.00993887 -0.01019989
3.06818169 27.65608278 7.10082765
-0.00018119 -0.00100849 0.00063965
-0.01638955 -0.00029543 0.02955613
1.27256860 28.84124866 9.09274105
0.00032254 0.00046950 0.00000395
-0.01155312 0.01089201 0.00112109
10.52424860 -7.19897223 -0.66254573
0.00002634 0.00067070 0.00063891
0.01965730 -0.01163165 0.02209437
8.39478366 -7.48453603 -2.48014458
-0.00030778 -0.00038778 0.00064796
-0.01190763 -0.00646385 -0.00782794
-7.10986738 0.12446849 6.85842430
-0.00036279 -0.00027481 0.00011561
0.00670887 -0.00640009 0.01411024
-10.19167794 0.46166379 7.20525228
-0.00099691 0.00089793 0.00007136
0.02737767 -0.00842818 -0.00885749
21.17519206 11.03705744 10.44138242
-0.00084945 0.00078015 0.00013435
-0.00238045 -0.00680842 -0.01278521
20.38702681 12.62105646 8.25186910
-0.00028471 -0.00022449 -0.00050863
0.00547386 0.03449856 -0.01483850
-0.90103478 -3.26475597 -26.41047314
0.00064251 -0.00063879 -0.00006448
-0.02185254 0.00405973 -0.02877999
-3.44560945 -1.97951389 -26.42933734
0.00101671 0.00022383 -0.00017552
0.00835512 0.00115584 -0.01695213
-13.52274547 7.06399111 9.44602839
0.00054005 -0.00084540 0.00061861
-0.00924508 -0.00365362 -0.00476340
-15.35218591 7.36675316 7.23169869
0.00054874 -0.00009378 0.00031147
0.00443552 0.00178372 0.00475440
-11.35839191 7.87985394 -2.22390091
-0.00029802 -0.00060640 0.00117607
0.00372142 -0.01318310 0.00238869
-8.86441360 8.13486629 -3.51360568
-0.00004367 -0.00010526 -0.00011769
0.01175087 0.00419227 -0.00505403
-1.11399723 -16.76445464 22.62645265
0.00015827 0.00110042 -0.00050239
0.01538161 -0.00367219 -0.00220079
-3.37057168 -15.60281657 23.56481630
0.00002462 0.00042710 0.00017416
-0.08599426 -0.01231392 0.02414603
-2.80082172 6.32713432 -7.93310752
-0.00042269 -0.00054085 0.00048714
0.00469079 -0.00554768 -0.00441463
-4.52241632 6.60109680 -5.65062499
0.00086814 -0.00034529 0.00086846
0.02282512 0.00136872 -0.00136610
-21.74735053 29.81581173 3.14665965
-0.00071195 0.00017297 -0.00028295
-0.01077729 -0.01224060 -0.02570951
-21.32164235 30.93629717 5.53388275
-0.00081622 0.00044548 0.00032440
-0.00177795 0.01260662 0.02216431
6.95318382 -0.00907801 5.98921038
0.00060716 -0.00102595 -0.00014896
-0.00704914 -0.01126672 -0.02706477
7.22446139 2.22725598 7.82877297
-0.00007507 0.00003666 0.00078601
0.00067855 0.00210284 0.00123657
6.95997479 12.68788490 -13.03007121
-0.00073180 -0.00062419 0.00067979
0.01024813 0.00902444 -0.00879016
4.85118597 11.90230839 -15.02042863
0.00043109 0.00044570 -0.00051019
0.02659704 -0.01500580 0.04571492
14.23351440 3.90704209 -2.26753880
-0.00027745 0.00036529 0.00089925
0.00202483 -0.00306569 -0.00323272
14.78360574 1.08511354 -1.52656879
-0.00016390 0.00032718 0.00094035
0.01380652 0.03379905 -0.00341836
-2.91210572 12.37767090 -0.12382531
-0.00046682 -0.00093883 0.00030457
-0.00141015 0.00509531 -0.01306380
-5.53035490 12.93944218 0.72721803
-0.00039806 -0.00028051 0.00018361
-0.00703979 0.00298232 -0.01385098
3.28006898 11.54226820 2.68258330
-0.00109991 0.00013020 -0.00116830
-0.01935882 -0.01793006 0.00346990
6.11664081 11.38976820 3.03921987
-0.00053673 0.00043847 0.00000337
0.02701540 -0.01219905 0.00366799
25.19469734 -12.55772873 -8.45868047
-0.00015120 -0.00063100 -0.00017876
0.00761560 -0.01723831 0.01387150
26.41606161 -11.46509553 -11.16465944
-0.00044143 0.00047053 -0.00128473
0.01460133 -0.00910642 -0.01190281
15.58620483 -2.90925549 0.47441185
0.00074352 0.00103860 0.00089755
-0.00135557 -0.01345635 -0.00889277
16.95263765 -5.41994999 -0.71014839
-0.00008004 -0.00029032 -0.00031484
-0.00442012 0.02582223 0.00423136
12.10518458 7.99238507 11.50557129
-0.00043360 0.00076961 -0.00027717
-0.01849640 -0.00091763 0.03015225
13.37557840 9.62743131 9.60432320
0.00009062 -0.00049314 -0.00017059
0.01147486 -0.00760204 -0.00091481
-0.05213534 -14.58977639 17.45181644
0.00073793 0.00008394 -0.00019912
0.00247756 -0.00695348 -0.00955342
1.58112407 -12.64636816 18.72092968
0.00070502 -0.00001011 0.00079082
0.01052996 -0.00620742 -0.00975690
-3.93417583 -1.92250772 -12.75752752
0.00058207 0.00078940 0.00023307
0.00742536 0.01540928 -0.01737379
-2.98282578 -1.67965544 -15.49898402
0.00130170 -0.00139747 0.00032104
0.01077720 -0.00658387 -0.01467263
14.79981065 -8.10152452 -10.55829986
-0.00006894 0.00026549 -0.00085038
-0.00331123 -0.00160762 -0.00522824
16.24457308 -6.23960563 -8.93512351
0.00062468 0.00030837 -0.00021357
0.03088290 0.02878521 -0.00753597
7.00463160 -5.84107186 8.36186435
0.00028931 0.00061640 0.00043732
0.00836940 -0.01229367 0.01904863
9.74896164 -6.49411425 7.78877532
0.00015429 -0.00015521 0.00062795
-0.01864301 -0.01280663 0.01960298
-21.43741909 2.06421685 21.05622158
0.00156052 0.00044845 0.00052846
0.00043661 -0.00061195 -0.00196155
-22.41323746 1.45966316 23.83127199
-0.00011561 -0.00046307 0.00015497
0.00932056 -0.00048912 -0.01166642
26.81660222 -2.93825954 -6.75098061
0.00019938 0.00025087 -0.00043717
0.00033487 0.00371560 -0.00439479
25.36866754 -1.47066475 -8.89358938
0.00056416 -0.00005371 -0.00016848
0.00209688 0.01216223 -0.00182742
10.02574016 -15.68245272 -7.88851879
0.00012742 0.00081051 -0.00033851
-0.00666389 0.01338399 0.00440071
9.40423748 -12.82718455 -7.06627973
-0.00022158 0.00024928 -0.00060462
-0.00797168 -0.00265298 0.00264071
-5.84290734 -11.26088137 18.26619203
0.00017665 -0.00008988 -0.00020156
-0.01499515 -0.02172263 -0.01839427
-6.81318400 -11.23660562 15.53803106
0.00039328 0.00046226 0.00010477
-0.00295536 -0.00179971 -0.00298081
8.52557103 1.32618218 -29.54909966
0.00077765 0.00069146 0.00008980
-0.00372326 0.02576170 0.00750967
6.04244054 2.55759503 -30.10994917
-0.00008784 -0.00065066 -0.00036391
-0.02201557 0.00106874 -0.00765415
12.56986541 15.00128309 14.57599429
-0.00085630 0.00057884 0.00078049
0.02747463 0.00160800 -0.00328264
11.34686710 16.12820710 17.22733104
0.00069394 0.00057835 0.00049113
-0.00159237 -0.01190070 -0.03770211
29.24321498 5.05215299 -4.75595543
-0.00068670 0.00074644 -0.00045807
-0.00779596 0.00391652 0.00124984
27.07708046 6.88998368 -3.77436682
0.00013335 0.00042749 -0.00016884
-0.01916714 0.00114670 -0.00961233
-9.95342274 4.97610349 6.50422925
-0.00001234 0.00025286 -0.00021252
0.00288710 0.00735049 0.00187069
-8.81875207 13.36616145 2.59956080
-0.00013513 0.00003657 0.00002486
-0.00080023 -0.00427794 0.00284581
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09470760
0.29979188
399.45764864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3911712240 (a.u.)
total exchange computation time: 2.7158918381 s
-154.1850440803
-931.39405453
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3907791008 (a.u.)
total exchange computation time: 2.7167170048 s
-154.1890816022
Anderson extrapolation: theta=1.3390073326 (1.3390073326)
-931.39430937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3901700866 (a.u.)
total exchange computation time: 2.7187950611 s
-154.1949863247
Anderson extrapolation: theta=0.0517868566 (0.0517868566)
-931.39446132
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3900688594 (a.u.)
total exchange computation time: 2.7160549164 s
-154.1957567939
Anderson extrapolation: theta=1.9237227104 (1.9237227104)
-931.39446713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3898490526 (a.u.)
total exchange computation time: 2.7160151005 s
-154.1973399963
Anderson extrapolation: theta=0.2261394930 (0.2261394930)
-931.39447320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3897907664 (a.u.)
total exchange computation time: 2.7165129185 s
-154.1976827539
Anderson extrapolation: theta=1.8939959358 (1.8939959358)
-931.39447437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3896979174 (a.u.)
total exchange computation time: 2.7141778469 s
-154.1981405984
Anderson extrapolation: theta=0.2876197150 (0.2876197150)
-931.39447582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3896901313 (a.u.)
total exchange computation time: 2.7163369656 s
-154.1980870052
Anderson extrapolation: theta=1.3094570362 (1.3094570362)
-931.39447617
-117.907311 68.281943 97.807535
559.491467 1031.723666 -409.503334
441.584156 1100.005609 -311.695799
1225.627667
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3896950028 (a.u.)
total exchange computation time: 2.6849329472 s
679.20358739
-1084.25252645
89.78448094
-388.84053136
-174.89979194
78.54871240
551.60419304
0.00000000
-931.39447642
4.07510671 -31.36031173 -2.20837548
0.00001759 -0.00043161 0.00000703
-0.01447001 0.00645174 -0.01071094
-11.54399095 -1.48674773 -9.34405031
-0.00025713 0.00023097 -0.00020233
-0.02447605 -0.01211622 -0.01841288
-37.52891444 2.39655508 0.24748111
-0.00003247 0.00003615 0.00000761
0.00550668 0.04356080 -0.04174604
-11.75638276 -4.20655023 4.02952794
-0.00014005 0.00001830 0.00021066
0.03276806 -0.00483352 -0.01612383
4.05583182 -4.07507914 8.86653861
-0.00021871 -0.00019681 -0.00048075
0.00200451 0.02912709 -0.01381942
-32.66408180 -0.31183009 -0.03046491
-0.00058796 -0.00000407 0.00044013
0.00804187 0.02811381 0.00683187
14.28529365 12.47436381 -13.56273660
-0.00001319 0.00000995 0.00009293
0.07761453 -0.00198923 0.03274809
-7.75206904 6.09117057 2.69234910
-0.00001797 0.00000700 -0.00001358
0.01333549 -0.03135217 -0.01920453
7.28673602 12.21824666 -6.09942609
-0.00023188 -0.00031281 -0.00028648
0.01898481 0.02012020 -0.02340073
8.80744669 9.93194985 -19.08475516
0.00001077 -0.00011186 -0.00018293
0.02667954 -0.02223695 -0.01411932
23.17731049 17.33032421 -2.34921226
0.00005981 0.00003145 -0.00026527
-0.01367777 0.02742394 0.00428876
2.08449181 16.83629601 -19.66090402
-0.00005314 0.00010134 -0.00017378
0.01283348 -0.00288245 0.01492883
13.99435049 -0.92582220 -5.81188106
0.00011336 0.00018988 -0.00003294
0.00149852 -0.01182818 0.03675544
-16.06154633 -1.39053165 3.22945803
-0.00010587 -0.00012653 -0.00008462
-0.04305471 -0.01189543 -0.00484368
-16.16563030 -2.23805155 18.78719654
0.00037697 -0.00035722 -0.00016054
0.00755366 -0.00814829 0.01313766
0.47710798 2.12281093 -4.70513128
-0.00016663 0.00011792 0.00023287
-0.00171403 0.00697966 0.00017515
22.73963553 -7.08706291 -8.80771611
-0.00006382 0.00000650 0.00000659
0.02055948 -0.02358897 -0.00618160
-0.75583301 -6.34643340 7.29757203
0.00007735 -0.00014939 -0.00001435
-0.00642222 -0.00777844 0.00112144
-1.75643322 -1.40427632 -19.34692633
-0.00009290 -0.00015292 -0.00007482
-0.04709311 0.02177811 -0.00048369
3.14531519 1.66617373 -9.25053357
-0.00013881 -0.00029698 0.00019364
0.01693717 0.01142200 -0.02847656
-3.64543299 17.71627304 12.32553604
0.00016524 0.00012832 0.00008301
-0.00430435 0.00911246 0.00376953
-3.87265164 5.12276027 -11.21737676
-0.00022908 0.00024026 -0.00022992
0.05692693 0.01457598 0.02789690
-7.88114320 2.74284214 -8.89457081
0.00005868 -0.00012028 0.00009842
-0.05666519 -0.02288255 0.02563227
2.46656647 27.52001340 8.89105770
0.00017689 0.00007934 0.00024461
0.01853322 -0.01317478 -0.02004389
9.47991625 -6.25136068 -1.75367543
-0.00034381 -0.00003692 0.00006506
-0.00636347 0.01993250 -0.01084824
-8.66574652 0.75013138 6.14992635
0.00015223 -0.00016970 0.00026751
-0.04079422 0.00813447 -0.00287332
20.48667842 10.90995085 8.72496195
0.00018199 0.00016813 -0.00008728
0.00133998 -0.03080913 0.02245884
-1.98652154 -2.19312700 -27.59654950
-0.00000658 -0.00003544 -0.00016873
0.00024761 -0.01487886 0.04402154
-14.21856238 6.15561706 8.00678717
0.00018135 0.00009722 0.00028883
0.01290264 -0.00219608 0.00209926
-9.64022003 7.22589651 -2.11003269
-0.00029008 -0.00004986 0.00047460
-0.01778419 0.00719352 -0.00190704
-1.77491351 -15.15673247 23.19785110
0.00004883 0.00021694 -0.00052414
0.06163045 0.01956626 -0.02183364
-2.72948223 6.30614800 -6.10464438
-0.00025334 -0.00007380 0.00011413
-0.02079774 -0.00423363 0.00817810
-20.33801219 30.27882703 4.17811999
-0.00021468 -0.00072873 0.00002721
0.00971867 0.01132239 0.01390633
7.73245750 0.50615769 7.52415156
0.00007114 0.00060053 -0.00023879
0.01632291 0.01080895 0.03301970
5.78323254 11.30742675 -13.41107354
0.00015437 -0.00054202 0.00013653
-0.03516804 -0.00701835 -0.05816270
15.59649493 2.79540993 -1.70312601
0.00015996 0.00012731 0.00025261
-0.01562517 -0.01951295 0.01081145
-4.45788202 13.11939706 -0.79640296
0.00000719 -0.00034952 -0.00002150
0.00886459 -0.01028263 0.01960984
4.78127725 12.51886582 2.59747087
0.00022512 0.00019396 -0.00041403
-0.02050101 0.02968722 0.00321898
25.09112501 -11.49918647 -9.88939089
-0.00014146 0.00011412 0.00025334
-0.03403950 0.02293222 0.01123485
16.82347918 -3.52045880 -0.74654305
0.00032643 0.00030654 -0.00015504
0.00260365 -0.01361061 0.00876219
13.38582119 7.88522181 10.26206248
0.00051391 -0.00031737 0.00006664
0.01418270 -0.00225460 -0.03124663
1.72093229 -14.05999525 17.52760079
0.00015018 -0.00000474 -0.00011292
-0.00093498 0.02439696 0.01905266
-3.70828522 -0.69578276 -14.18514026
0.00016334 0.00010598 0.00019883
-0.01807567 -0.01170299 0.02587287
14.99578282 -7.51019736 -8.84320995
-0.00016264 -0.00017633 0.00015761
-0.01523023 -0.04615466 -0.00485750
8.36640528 -7.02518786 8.97196736
0.00006746 0.00027135 0.00003907
0.01589769 0.04336914 -0.03149211
-21.10062023 2.35132025 22.84233272
-0.00002672 0.00015101 -0.00001172
-0.00896893 0.00266052 0.01746332
25.71321015 -3.12121490 -8.21593865
0.00007395 0.00021992 -0.00012187
0.00674375 -0.01918197 0.01317644
9.91031806 -13.92175443 -8.44135486
0.00008068 -0.00010179 -0.00031732
0.00346743 -0.01145921 -0.00839492
-6.71690716 -12.37223971 16.97220302
0.00011184 0.00025125 0.00002169
0.01875118 0.03023773 0.02098392
7.60752026 2.95986906 -29.31579406
-0.00048702 -0.00056429 -0.00004566
0.03366576 -0.02437129 0.00030477
11.07520559 15.66172864 15.39204034
0.00005942 0.00028443 -0.00005341
-0.05663274 0.02103975 0.05869061
28.76196926 6.32151472 -3.48041991
0.00021471 0.00020748 -0.00004130
0.02546879 -0.00577548 0.01668436
5.30568261 -31.96006257 -3.40997365
-0.00022734 -0.00065226 0.00010811
0.00406374 -0.00150996 -0.01307242
4.84288802 -31.44137035 -0.56155633
0.00008302 -0.00078422 -0.00039859
-0.00099346 -0.00284112 0.01345391
-12.12257137 -3.26827987 -9.21738426
-0.00041788 -0.00013148 -0.00049010
0.00342442 0.01919467 -0.00562707
-12.27123756 -0.71355019 -10.89118859
0.00061536 0.00088285 -0.00013435
0.00873424 -0.01636207 0.01865923
-38.95201876 2.25113663 1.33315467
0.00022134 0.00065830 0.00007844
-0.01216123 -0.00232253 0.00604232
-37.93673990 3.91476245 -0.92159558
0.00010473 0.00002481 0.00015548
0.01067704 -0.02986815 0.02211512
-10.70677383 -5.59061257 3.15359854
0.00013823 -0.00000459 -0.00043175
-0.01992871 0.02548867 0.02176034
-10.59930580 -2.72419144 4.07558485
0.00043473 -0.00036097 0.00076190
-0.01496940 -0.01747574 0.00133798
4.24443169 -2.24989057 8.34642423
-0.00046227 0.00025452 0.00002733
-0.00257824 -0.03684778 0.01378758
3.66957573 -4.06077375 10.67152451
-0.00052062 -0.00069038 -0.00011913
0.00702275 0.00379982 -0.00323165
-34.23987538 -1.17503853 0.11231863
-0.00098403 0.00035798 0.00035766
-0.00889459 -0.00336249 0.00042417
-33.08482156 1.42068278 0.57630521
-0.00056696 0.00139083 -0.00065638
0.00087797 -0.02631392 -0.00960659
13.58250119 12.90165076 -15.08250255
-0.00051475 0.00046004 0.00106578
-0.03305222 0.01782156 -0.05770712
16.15828296 12.57162568 -14.04726832
-0.00120543 -0.00005563 -0.00066416
-0.03979095 -0.00964586 0.01774125
-8.28378262 7.61218760 1.83721311
0.00086826 -0.00000749 0.00026066
0.00242575 -0.00573586 -0.00872105
-7.30399779 4.78377729 1.30164060
-0.00019389 0.00030849 0.00082964
-0.01235760 0.03296758 0.02916949
6.22325131 12.44685953 -7.61600928
0.00001196 -0.00003375 -0.00084540
0.00758059 -0.00564226 0.01718767
8.79437197 13.40440387 -6.45798733
-0.00006772 0.00010063 0.00057878
-0.01815785 -0.00822389 0.00436213
8.69566261 8.39198849 -20.12939391
0.00082340 -0.00022758 0.00037422
0.00205928 0.01683638 0.01142178
10.56883607 10.63010161 -19.33319664
0.00044693 -0.00102098 0.00048812
-0.02625507 -0.00387258 0.00300833
24.12033094 15.84425284 -2.75970258
0.00009866 0.00020890 0.00002610
0.01652209 -0.01900841 -0.00878213
24.12455341 18.78855476 -2.94431501
-0.00069670 0.00027568 -0.00059896
0.01538849 -0.01200852 0.00682521
1.59509955 17.00898481 -21.44131973
-0.00011973 -0.00030842 0.00124538
0.00829303 -0.00844730 0.00111493
3.55073720 15.64505129 -19.43263393
-0.00073451 0.00016257 0.00019237
-0.02448448 0.01467040 -0.01051794
12.91095727 -1.71639675 -7.04842577
0.00056959 -0.00086352 0.00001705
-0.00662907 0.00032166 -0.00474826
13.07785903 -0.99058428 -4.18418254
-0.00111854 -0.00045598 -0.00093201
0.00906008 0.00125070 -0.02095997
-17.88021644 -1.90065472 2.94964126
-0.00093054 0.00024422 0.00106267
0.03788589 0.00101953 0.00448129
-15.01382716 -2.81855672 2.74899708
-0.00000100 -0.00036854 0.00027719
-0.00023566 -0.00133933 0.00916653
-16.52452183 -0.63949406 19.63371047
0.00091349 0.00079127 -0.00067650
0.01049351 -0.00339651 0.00152048
-14.93223159 -3.18920716 19.85127937
0.00083857 -0.00016730 0.00017858
-0.01878670 0.01325638 -0.01645506
-0.31368987 0.49526069 -4.98434395
0.00067651 -0.00041503 -0.00030340
-0.00604651 -0.01658365 -0.00137332
-0.98243199 3.19258000 -5.04130364
0.00084727 0.00039622 -0.00019808
0.00347224 0.01251228 0.00008136
23.72236621 -8.69429029 -9.24626799
0.00102851 0.00080937 0.00001459
-0.01474750 0.02237008 0.00916575
23.98870626 -5.81110623 -8.27612157
-0.00005201 -0.00041755 0.00039029
-0.01019177 -0.00485678 -0.00565223
-0.28502518 -6.29149873 5.52935098
-0.00133278 0.00016962 0.00000595
0.00694688 0.00346113 0.00173552
0.81227171 -6.39032942 8.25231418
-0.00002474 0.00047020 -0.00018178
-0.00253988 0.00865599 -0.00695576
-0.31342352 -2.39979737 -19.53675976
0.00006486 0.00082261 0.00011486
0.02316364 -0.02702982 -0.00447659
-3.14001082 -2.06615780 -20.43610246
0.00025678 -0.00006529 0.00033258
0.02377050 0.00042809 0.00531599
2.87453230 3.18589592 -10.28640788
0.00005967 0.00037740 0.00037155
-0.00302302 -0.01176133 -0.00273618
1.97236531 1.68449554 -7.90241756
0.00002273 0.00026657 -0.00045878
-0.01937067 0.01343704 0.02604536
-2.15674026 16.61247764 12.33532599
0.00113336 -0.00090663 0.00029754
0.00451979 -0.00008017 0.00170673
-3.58738089 18.48565114 14.00610775
0.00095704 -0.00002014 -0.00032265
0.00944060 0.00460645 -0.00592231
-5.37998522 5.97419601 -11.08092185
0.00019253 0.00055156 -0.00014487
-0.05175706 0.03422818 -0.00375334
-4.15765145 3.77721150 -12.27985615
0.00102150 -0.00061809 -0.00031343
-0.00146667 -0.04121625 -0.03380135
-7.75197540 1.35210852 -7.58996732
-0.00029629 -0.00058418 -0.00085073
-0.00373351 0.02220822 -0.01433680
-6.27430153 3.13062029 -9.37501912
0.00014669 -0.00075937 0.00078751
0.05622990 0.01129188 -0.01178127
3.06496163 27.64094635 7.11132806
-0.00024561 -0.00100840 0.00075306
-0.01514615 0.00033952 0.02595946
1.27705269 28.84862485 9.09283472
0.00027778 0.00051142 0.00000791
-0.01035894 0.00963270 0.00081342
10.52524603 -7.18926822 -0.65228510
0.00010359 0.00062530 0.00072611
0.01815834 -0.01058795 0.02059228
8.38980210 -7.49055085 -2.47066504
-0.00035581 -0.00041429 0.00061661
-0.01160524 -0.00651161 -0.00751655
-7.11510367 0.12015024 6.86059085
-0.00033046 -0.00030337 0.00017692
0.00911720 -0.00757922 0.01590084
-10.20579263 0.47487450 7.20605125
-0.00087792 0.00086333 0.00003162
0.03086986 -0.00851002 -0.01059591
21.16237740 11.04855104 10.44300591
-0.00085804 0.00075223 0.00008410
-0.00182449 -0.00685981 -0.01181136
20.38292397 12.61874629 8.24378494
-0.00026272 -0.00008089 -0.00056993
0.00528839 0.03579343 -0.01516997
-0.89206673 -3.27421347 -26.41232218
0.00054850 -0.00061869 -0.00018592
-0.02416647 0.00578324 -0.03066728
-3.43010278 -1.97612109 -26.43248963
0.00104236 0.00022977 -0.00023852
0.00420084 0.00175288 -0.01388419
-13.51492798 7.05119820 9.45516157
0.00050173 -0.00085880 0.00059944
-0.00951395 -0.00290844 -0.00462121
-15.34381893 7.36540107 7.23651648
0.00056355 -0.00008230 0.00032939
0.00281699 0.00383669 0.00401853
-11.36274819 7.87035390 -2.20618667
-0.00028511 -0.00065820 0.00118416
0.00259641 -0.01217034 0.00157185
-8.86470861 8.13341589 -3.51552595
-0.00000040 -0.00009124 -0.00013243
0.00943316 0.00266838 -0.00215904
-1.11115186 -16.74806089 22.61884930
0.00022361 0.00107537 -0.00051478
0.01660116 -0.00858844 -0.00386296
-3.37283758 -15.59678735 23.56816857
-0.00031909 0.00037764 0.00027158
-0.08225324 -0.01189693 0.02354219
-2.80701828 6.31885158 -7.92593568
-0.00040460 -0.00056321 0.00046354
0.00416145 -0.00539627 -0.00713642
-4.50869473 6.59595942 -5.63763988
0.00094925 -0.00033800 0.00086483
0.01687665 0.00219822 -0.00041391
-21.75836007 29.81803116 3.14162751
-0.00075170 0.00012426 -0.00038453
-0.00867744 -0.01160339 -0.02401014
-21.33394015 30.94336560 5.53942793
-0.00081420 0.00049043 0.00040197
0.00276786 0.00940074 0.01580705
6.96207528 -0.02481255 5.98614662
0.00057853 -0.00106821 -0.00025685
-0.00696715 -0.00941724 -0.02574638
7.22335610 2.22787027 7.84060102
-0.00007501 0.00004892 0.00078873
-0.00064825 0.00389993 0.00009431
6.94931185 12.67879859 -13.02014373
-0.00068524 -0.00058267 0.00064597
0.01254278 0.01130201 -0.00776492
4.85846732 11.90853406 -15.02668058
0.00054144 0.00038138 -0.00031885
0.02742259 -0.01647912 0.04794754
14.22941474 3.91242753 -2.25414909
-0.00026620 0.00035077 0.00088685
0.00348022 -0.00404242 -0.00283582
14.78157032 1.09105688 -1.51256821
-0.00010739 0.00046400 0.00092547
0.01385479 0.03317546 -0.00386987
-2.91915130 12.36374459 -0.11965713
-0.00047157 -0.00091818 0.00025115
-0.00091028 0.00501076 -0.01308244
-5.53654156 12.93532593 0.72954779
-0.00042445 -0.00026751 0.00012314
-0.00587515 0.00338237 -0.01575200
3.26297709 11.54367171 2.66516517
-0.00116087 0.00006702 -0.00115436
-0.01047988 -0.01299565 0.00335419
6.10941767 11.39597138 3.03938276
-0.00042103 0.00038208 0.00002062
0.02962259 -0.01540221 0.00477587
25.19266263 -12.56772203 -8.46093678
-0.00011990 -0.00069991 -0.00012457
0.00770598 -0.01649343 0.01265209
26.40988766 -11.45831661 -11.18429516
-0.00038928 0.00043213 -0.00132542
0.01092418 -0.00969082 -0.00801624
15.59731613 -2.89408889 0.48760263
0.00074375 0.00097965 0.00085474
0.00146776 -0.01539666 -0.01206304
16.95130153 -5.42351355 -0.71474128
-0.00009848 -0.00017867 -0.00029689
-0.00460582 0.02883198 0.00455422
12.09811374 8.00390114 11.50233775
-0.00050257 0.00076419 -0.00015967
-0.01526395 -0.00173503 0.02736291
13.37728933 9.61980123 9.60173631
0.00013877 -0.00052326 -0.00017544
0.01209344 -0.00714093 -0.00145759
-0.04099054 -14.58873043 17.44853695
0.00074011 0.00005390 -0.00023782
-0.00140755 -0.00775015 -0.00939297
1.59202200 -12.64671003 18.73249297
0.00074736 -0.00004115 0.00074568
0.01019703 -0.00898851 -0.01233957
-3.92521730 -1.91019453 -12.75456387
0.00061081 0.00084852 0.00016737
0.00664477 0.01353109 -0.01478470
-2.96297000 -1.70081929 -15.49461798
0.00133672 -0.00141197 0.00027615
0.00636279 -0.00051058 -0.00730289
14.79867515 -8.09759149 -10.57121571
-0.00008171 0.00026228 -0.00085964
-0.00294139 0.00003659 0.00069555
16.25488962 -6.23409798 -8.93855801
0.00074039 0.00041481 -0.00024347
0.02575898 0.02331498 -0.00710143
7.00922764 -5.83220255 8.36900783
0.00032317 0.00056656 0.00051396
0.00820904 -0.01210248 0.01846597
9.75070469 -6.49683478 7.79879522
0.00008146 -0.00020545 0.00070426
-0.01700503 -0.01179023 0.01775477
-21.41399784 2.07092480 21.06408831
0.00155830 0.00044312 0.00050878
-0.00152653 -0.00199370 -0.00767190
-22.41468592 1.45270215 23.83323910
-0.00007422 -0.00046203 0.00010278
0.01093923 0.00099660 -0.01388217
26.81960318 -2.93438269 -6.75767280
0.00020257 0.00026585 -0.00045274
0.00122574 0.00361688 -0.00322732
25.37719422 -1.47109765 -8.89617255
0.00057151 0.00000007 -0.00017788
0.00150138 0.01416384 -0.00277373
10.02744728 -15.66988491 -7.89346161
0.00010121 0.00085263 -0.00031653
-0.00616696 0.00723366 0.00635849
9.40066946 -12.82352667 -7.07526812
-0.00025389 0.00023812 -0.00059466
-0.00784102 -0.00280802 0.00223271
-5.84071714 -11.26289514 18.26260498
0.00011699 -0.00017636 -0.00027361
-0.01420816 -0.02061134 -0.01687589
-6.80737529 -11.22972684 15.53951134
0.00038086 0.00045446 0.00009260
-0.00312840 -0.00201693 -0.00297700
8.53712165 1.33734347 -29.54752258
0.00076338 0.00079064 0.00011909
-0.00326003 0.02278678 0.00683058
6.04044837 2.54786787 -30.11564238
-0.00017869 -0.00064825 -0.00039593
-0.02245700 0.00011166 -0.00801760
12.55786283 15.01001490 14.58760111
-0.00073023 0.00057842 0.00075850
0.03423524 -0.00181222 -0.00748310
11.35722737 16.13651763 17.23354268
0.00068506 0.00052791 0.00033073
-0.00275361 -0.01278770 -0.04081349
29.23267553 5.06346957 -4.76278815
-0.00071595 0.00075915 -0.00045511
-0.00652157 0.00230848 0.00020039
27.07849337 6.89643124 -3.77719393
0.00005805 0.00043177 -0.00020671
-0.01769484 0.00094738 -0.00892442
-9.95360013 4.97991617 6.50104646
-0.00001129 0.00025546 -0.00021182
0.00302186 0.00715788 0.00202447
-8.82078036 13.36670260 2.59993872
-0.00013529 0.00003559 0.00002552
-0.00062326 -0.00422536 0.00280096
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09486509
0.29961134
399.21708303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3920713281 (a.u.)
total exchange computation time: 2.7048699856 s
-154.1807206611
-931.39587774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3916723171 (a.u.)
total exchange computation time: 2.7073810101 s
-154.1848332636
Anderson extrapolation: theta=1.3535130403 (1.3535130403)
-931.39613891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3910421132 (a.u.)
total exchange computation time: 2.7058470249 s
-154.1909133359
Anderson extrapolation: theta=0.0567158940 (0.0567158940)
-931.39629849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3909302813 (a.u.)
total exchange computation time: 2.7055480480 s
-154.1917424407
Anderson extrapolation: theta=2.0659309160 (2.0000000000)
-931.39630566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3907783222 (a.u.)
total exchange computation time: 2.6685481071 s
-154.1936168118
Anderson extrapolation: theta=-0.1654723259 (-0.1654723259)
-931.39641616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3907856765 (a.u.)
total exchange computation time: 2.6658449173 s
-154.1934800380
Anderson extrapolation: theta=1.7634523165 (1.7634523165)
-931.39641733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3907666892 (a.u.)
total exchange computation time: 2.6652970314 s
-154.1934143561
Anderson extrapolation: theta=0.5730187166 (0.5730187166)
-931.39641949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3907288860 (a.u.)
total exchange computation time: 2.6648318768 s
-154.1935391679
Anderson extrapolation: theta=1.6756146402 (1.6756146402)
-931.39642101
-117.933500 68.302072 97.820683
559.527156 1031.737006 -409.467577
441.593656 1100.039078 -311.646894
1225.648692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3906498446 (a.u.)
total exchange computation time: 2.6538598537 s
679.22045118
-1084.27227376
89.77539092
-388.82881217
-174.90052929
78.55514945
551.60419304
0.00000000
-931.39642297
4.07531470 -31.36676105 -2.20831130
0.00000985 -0.00042830 0.00000120
-0.01562942 0.00645235 -0.01197863
-11.54794227 -1.48332989 -9.34715625
-0.00026954 0.00022423 -0.00021137
-0.02377847 -0.01409798 -0.01675536
-37.52938026 2.39726532 0.24743429
-0.00002934 0.00005834 -0.00001384
0.00665142 0.04273193 -0.04169767
-11.75835715 -4.20629431 4.03262572
-0.00012296 0.00001553 0.00020221
0.03370551 -0.00595504 -0.01677068
4.05255885 -4.07791899 8.85927411
-0.00021783 -0.00018168 -0.00048711
0.00143239 0.02972669 -0.01090818
-32.67287016 -0.31178268 -0.02383663
-0.00058434 0.00001144 0.00044394
0.00602002 0.03219369 0.00799059
14.28539525 12.47450537 -13.56121629
0.00002566 0.00000856 0.00011060
0.07344488 -0.00342073 0.03593940
-7.75228715 6.09115470 2.69207139
-0.00001117 -0.00000893 -0.00002218
0.01311498 -0.03060272 -0.01427422
7.28333099 12.21363207 -6.10381357
-0.00022221 -0.00030229 -0.00029879
0.01864722 0.02078491 -0.02447123
8.80771118 9.93018615 -19.08755362
0.00002465 -0.00012296 -0.00018986
0.02727549 -0.02092386 -0.01283659
23.17815485 17.33090168 -2.35317483
0.00005246 0.00004555 -0.00026305
-0.01489145 0.02743114 0.00435841
2.08374420 16.83780504 -19.66345306
-0.00004667 0.00010015 -0.00016392
0.01233440 -0.00177203 0.02339545
13.99605672 -0.92301955 -5.81223345
0.00011369 0.00018342 -0.00001469
-0.00021901 -0.01332081 0.03425179
-16.06330041 -1.39247552 3.22817008
-0.00012826 -0.00013274 -0.00008697
-0.04401643 -0.01223062 -0.00430925
-16.15994663 -2.24344128 18.78483913
0.00038096 -0.00036055 -0.00015305
0.00797102 -0.00480059 0.01599498
0.47460187 2.12460669 -4.70163750
-0.00016658 0.00012057 0.00023304
0.00193544 0.00330809 0.00047398
22.73875747 -7.08705639 -8.80764104
-0.00005322 -0.00000547 0.00000343
0.02067273 -0.02297840 -0.00612513
-0.75469758 -6.34870433 7.29736108
0.00007334 -0.00015334 -0.00001328
-0.00916309 -0.00756750 0.00303598
-1.75800845 -1.40648605 -19.34805057
-0.00011698 -0.00014094 -0.00007435
-0.04654432 0.02477754 0.00231992
3.14329837 1.66176306 -9.24773876
-0.00012963 -0.00029037 0.00017779
0.01874586 0.01426932 -0.03315776
-3.64297105 17.71823301 12.32679568
0.00016489 0.00013121 0.00008431
0.00296623 0.00211455 0.00130841
-3.87586831 5.12642040 -11.22071792
-0.00019974 0.00024639 -0.00021651
0.05716624 0.00926081 0.02426090
-7.88048156 2.74094973 -8.89299564
0.00002945 -0.00013172 0.00011115
-0.05700147 -0.02160151 0.02386662
2.46929133 27.52115273 8.89464960
0.00018558 0.00007289 0.00023564
0.01524924 -0.01190633 -0.01484021
9.47473451 -6.25183765 -1.75274142
-0.00034663 -0.00002722 0.00005994
-0.00458181 0.01781841 -0.00905227
-8.66362049 0.74761725 6.15392789
0.00013009 -0.00016521 0.00026597
-0.04527500 0.00932135 -0.00310133
20.48941337 10.91235397 8.72373940
0.00018251 0.00015240 -0.00007613
0.00068243 -0.03034488 0.02087799
-1.98661933 -2.19371599 -27.59891070
-0.00000481 -0.00004359 -0.00014680
0.00664275 -0.01682496 0.04126488
-14.21579236 6.15706689 8.01112767
0.00018839 0.00009533 0.00029002
0.01447539 -0.00514316 0.00253033
-9.64463979 7.22517633 -2.10292104
-0.00029815 -0.00004601 0.00047299
-0.01359294 0.00778585 -0.00436835
-1.77394335 -15.15340295 23.18990474
0.00007799 0.00022779 -0.00053447
0.05176896 0.02263244 -0.01831041
-2.73336255 6.30502470 -6.10290084
-0.00026206 -0.00007623 0.00011857
-0.01312598 -0.00521116 0.00907018
-20.34119495 30.26793976 4.17858172
-0.00021152 -0.00072229 0.00003535
0.00256931 0.01371455 0.01777956
7.73358756 0.51520733 7.52069710
0.00007967 0.00060503 -0.00022230
0.01685301 0.00671080 0.03108343
5.78541247 11.29926933 -13.40924996
0.00013587 -0.00054562 0.00010625
-0.03677852 -0.00698240 -0.05956367
15.59883410 2.79724427 -1.69929517
0.00015164 0.00011785 0.00025806
-0.01672924 -0.01724383 0.01036706
-4.45774003 13.11411467 -0.79664983
0.00001126 -0.00035477 -0.00001108
0.00698623 -0.01016380 0.02092698
4.78457497 12.52188974 2.59127284
0.00021186 0.00020845 -0.00041247
-0.03107686 0.02666624 0.00284623
25.08887180 -11.49738625 -9.88554740
-0.00015778 0.00012578 0.00025842
-0.02943029 0.02240808 0.00851316
16.82838568 -3.51591318 -0.74883484
0.00032714 0.00029941 -0.00014986
0.00013755 -0.01411252 0.01135996
13.39358448 7.88045263 10.26294151
0.00051993 -0.00031842 0.00005175
0.00923402 -0.00185362 -0.02664379
1.72318142 -14.05997217 17.52598052
0.00015077 0.00000854 -0.00010263
0.00323789 0.02724275 0.02094462
-3.70590482 -0.69423817 -14.18205808
0.00015544 0.00009903 0.00020946
-0.01264105 -0.01533333 0.01547745
14.99328453 -7.51302031 -8.84086448
-0.00016881 -0.00019865 0.00015359
-0.00877046 -0.04065725 -0.01077691
8.36747856 -7.02095025 8.97243200
0.00007501 0.00029293 0.00002374
0.01345699 0.04054000 -0.02815754
-21.10105563 2.35359570 22.84222432
-0.00003124 0.00015241 -0.00000084
-0.00861959 0.00278095 0.02484906
25.71434545 -3.11799007 -8.21771582
0.00007729 0.00020962 -0.00011523
0.00624439 -0.02088654 0.01264170
9.91154169 -13.92332550 -8.44614705
0.00008227 -0.00010587 -0.00032202
0.00269124 -0.00439506 -0.00986308
-6.71515723 -12.36835435 16.97260932
0.00012109 0.00026634 0.00003191
0.01720890 0.02845861 0.01876743
7.60034488 2.95131070 -29.31647784
-0.00047008 -0.00057558 -0.00004526
0.03217853 -0.01954939 0.00126351
11.07587846 15.66607622 15.39146562
0.00002903 0.00029609 -0.00002185
-0.06154257 0.02431581 0.06404604
28.76528810 6.32460458 -3.48097507
0.00022687 0.00020503 -0.00003270
0.02183863 -0.00374825 0.01674615
5.30239709 -31.96989272 -3.40875262
-0.00020966 -0.00065896 0.00005277
0.00458860 -0.00176895 -0.01401428
4.84410287 -31.45322078 -0.56712286
0.00008085 -0.00079549 -0.00033933
-0.00007025 -0.00267197 0.01555386
-12.12873467 -3.26966386 -9.22490815
-0.00040277 -0.00004843 -0.00051391
0.00397102 0.02146041 -0.00603059
-12.26173952 -0.70080882 -10.89263210
0.00064937 0.00081576 -0.00006013
0.00791385 -0.01648074 0.01767413
-38.94907126 2.26093993 1.33451639
0.00016931 0.00064810 0.00010530
-0.01331043 -0.00266994 0.00710918
-37.93484184 3.91421933 -0.91858568
0.00014818 -0.00009579 0.00024425
0.01059662 -0.02916364 0.02133894
-10.70531107 -5.58990037 3.14778906
0.00005464 0.00010122 -0.00034089
-0.02099016 0.02630799 0.02271987
-10.59324353 -2.73014144 4.08705440
0.00037287 -0.00043156 0.00076721
-0.01531279 -0.01708204 0.00125985
4.23741870 -2.24720185 8.34725669
-0.00047280 0.00010204 0.00008392
-0.00257669 -0.03779381 0.01391184
3.66198156 -4.07101296 10.66963850
-0.00049073 -0.00067433 -0.00013762
0.00761342 0.00405335 -0.00581672
-34.25490837 -1.16977187 0.11769648
-0.00101764 0.00034667 0.00035960
-0.00755917 -0.00217414 0.00052864
-33.09329898 1.44073888 0.56616518
-0.00056192 0.00127236 -0.00069813
0.00158730 -0.03167701 -0.01083144
13.57376709 12.90909741 -15.06828412
-0.00065472 0.00053543 0.00082399
-0.03546373 0.01908635 -0.06065215
16.13898213 12.57049569 -14.05668704
-0.00135614 -0.00009455 -0.00059325
-0.03398223 -0.00940879 0.01696776
-8.27068440 7.61189941 1.84085572
0.00087620 -0.00002584 0.00022201
0.00146025 -0.00324289 -0.01019505
-7.30728485 4.78941481 1.31497909
-0.00024224 0.00043759 0.00094222
-0.01130992 0.03022746 0.02593587
6.22366297 12.44618035 -7.62816358
0.00004511 -0.00005731 -0.00077178
0.00864738 -0.00589003 0.01885102
8.79279979 13.40566132 -6.44917198
-0.00014358 0.00006561 0.00059584
-0.01897742 -0.00891919 0.00399087
8.70807666 8.38909078 -20.12343069
0.00082990 -0.00016262 0.00041851
0.00112446 0.01495954 0.01025972
10.57473545 10.61466830 -19.32578264
0.00033971 -0.00103501 0.00050058
-0.02622859 -0.00299842 0.00309139
24.12231720 15.84680384 -2.75958020
0.00016730 0.00013048 -0.00001034
0.01707637 -0.01937638 -0.00905366
24.11457439 18.79232199 -2.95309020
-0.00063209 0.00022723 -0.00057099
0.01624181 -0.01170812 0.00686601
1.59355767 17.00409964 -21.42260489
-0.00009026 -0.00034130 0.00123200
0.00613452 -0.00764699 -0.00766186
3.53896925 15.64793943 -19.43007070
-0.00082897 0.00021869 0.00014965
-0.02175244 0.01279914 -0.01039254
12.91929806 -1.72933963 -7.04831552
0.00054538 -0.00086084 -0.00000185
-0.00522497 0.00098844 -0.00450453
13.06135863 -0.99738562 -4.19880504
-0.00108094 -0.00044949 -0.00101331
0.00934470 0.00192379 -0.01883489
-17.89301361 -1.89696024 2.96571857
-0.00076983 0.00024831 0.00108010
0.04078353 0.00098252 0.00405127
-15.01384938 -2.82412587 2.75343576
-0.00000434 -0.00037289 0.00031478
-0.00139775 -0.00079123 0.00923794
-16.51049787 -0.62772911 19.62360959
0.00095796 0.00076872 -0.00067413
0.01127052 -0.00764163 -0.00035935
-14.92022867 -3.19131045 19.85345379
0.00075910 -0.00011136 0.00010911
-0.02011755 0.01412458 -0.01755025
-0.30372751 0.48852704 -4.98893710
0.00065144 -0.00047770 -0.00030844
-0.00622268 -0.01409270 -0.00109207
-0.96961659 3.19890677 -5.04427236
0.00085419 0.00044962 -0.00019880
-0.00008097 0.01362774 -0.00043499
23.73734196 -8.68146432 -9.24576824
0.00096658 0.00089623 0.00005110
-0.01556741 0.02015117 0.00870292
23.98761388 -5.81751825 -8.27044036
-0.00009320 -0.00043386 0.00036817
-0.00997370 -0.00312923 -0.00517649
-0.30480395 -6.28884833 5.52949348
-0.00130157 0.00018379 0.00000874
0.00832966 0.00347610 -0.00037281
0.81182276 -6.38301114 8.24937434
-0.00003225 0.00050537 -0.00021024
-0.00113524 0.00856146 -0.00697599
-0.31174088 -2.38828653 -19.53517405
0.00016463 0.00070844 0.00009523
0.02567521 -0.02885450 -0.00513188
-3.13543070 -2.06712398 -20.43095088
0.00034910 -0.00006631 0.00034967
0.02142134 -0.00092839 0.00304971
2.87533477 3.19119646 -10.28091845
0.00004868 0.00032472 0.00036236
-0.00235628 -0.01402323 -0.00176382
1.97211263 1.68890584 -7.90850109
-0.00006204 0.00032042 -0.00034512
-0.02212487 0.01292164 0.02959141
-2.13960139 16.59887567 12.33984138
0.00113748 -0.00089655 0.00030407
-0.00250277 0.00501512 0.00149193
-3.57273599 18.48549024 14.00108646
0.00099486 0.00000171 -0.00034094
0.00907352 0.00608977 -0.00302904
-5.37868324 5.98351831 -11.08320993
-0.00002066 0.00068946 -0.00016176
-0.05259969 0.03327405 -0.00451341
-4.14237393 3.76667718 -12.28559343
0.00101573 -0.00077455 -0.00044248
-0.00135820 -0.03537434 -0.02936973
-7.75653423 1.34402631 -7.60316762
-0.00031215 -0.00049565 -0.00090570
-0.00402860 0.02112692 -0.01257299
-6.27037811 3.11957577 -9.36356744
0.00037880 -0.00071195 0.00073804
0.05738799 0.01192107 -0.01243686
3.06081332 27.62583073 7.12341942
-0.00030427 -0.00100575 0.00084981
-0.01356878 0.00095737 0.02139950
1.28090192 28.85659140 9.09297824
0.00023852 0.00054747 0.00001049
-0.00885967 0.00801334 0.00045143
10.52735630 -7.18021310 -0.64076244
0.00017317 0.00058529 0.00080552
0.01590207 -0.00899786 0.01827819
8.38410929 -7.49696474 -2.46164615
-0.00040179 -0.00044021 0.00058710
-0.01090086 -0.00617566 -0.00693115
-7.11978121 0.11536748 6.86373189
-0.00028934 -0.00033624 0.00024486
0.01100924 -0.00851458 0.01735525
-10.21801541 0.48756366 7.20620084
-0.00074629 0.00082812 -0.00001419
0.03356327 -0.00872323 -0.01182646
21.14945092 11.05962422 10.44390553
-0.00086399 0.00072421 0.00003867
-0.00109088 -0.00685474 -0.01042943
20.37914523 12.61862977 8.23477108
-0.00024119 0.00006474 -0.00063173
0.00524798 0.03549528 -0.01507842
-0.88457976 -3.28331654 -26.41605069
0.00044623 -0.00059246 -0.00031376
-0.02589373 0.00705543 -0.03191242
-3.41433866 -1.97262086 -26.43649282
0.00105009 0.00023836 -0.00028804
-0.00041830 0.00245123 -0.01035683
-13.50769356 7.03822704 9.46401153
0.00046258 -0.00086901 0.00058124
-0.00965177 -0.00208690 -0.00428464
-15.33527931 7.36428412 7.24158054
0.00057165 -0.00006244 0.00034420
0.00114453 0.00588639 0.00322848
-11.36694534 7.86010799 -2.18837610
-0.00027730 -0.00070562 0.00118884
0.00123002 -0.01104410 0.00071991
-8.86442550 8.13212902 -3.51757853
0.00003323 -0.00008349 -0.00013515
0.00702976 0.00112834 0.00082570
-1.10728906 -16.73219348 22.61100921
0.00029349 0.00103058 -0.00053373
0.01760898 -0.01333874 -0.00541295
-3.38014447 -15.59148725 23.57296364
-0.00063834 0.00033199 0.00036417
-0.07402227 -0.01045120 0.02178350
-2.81295980 6.31023812 -7.91920120
-0.00038877 -0.00058496 0.00042928
0.00358990 -0.00525162 -0.00963627
-4.49393884 6.59095676 -5.62468013
0.00100442 -0.00032711 0.00086567
0.01013221 0.00313361 0.00082368
-21.76990143 29.81953946 3.13512389
-0.00078206 0.00007855 -0.00047813
-0.00618628 -0.01077174 -0.02181091
-21.34606833 30.95101017 5.54594187
-0.00079441 0.00052225 0.00045405
0.00691961 0.00617364 0.00968739
6.97053974 -0.04112423 5.98150497
0.00055119 -0.00110209 -0.00035717
-0.00641602 -0.00716840 -0.02336226
7.22221108 2.22872357 7.85243484
-0.00008031 0.00006830 0.00078686
-0.00194830 0.00558757 -0.00100839
6.93941761 12.67040494 -13.01069214
-0.00062997 -0.00053263 0.00061632
0.01451226 0.01318896 -0.00674742
4.86742930 11.91374980 -15.02999400
0.00065365 0.00031178 -0.00012086
0.02750190 -0.01758991 0.04896762
14.22552837 3.91756522 -2.24093318
-0.00024909 0.00033242 0.00087603
0.00489702 -0.00494053 -0.00246489
14.78038401 1.09903342 -1.49880481
-0.00005146 0.00059642 0.00090896
0.01352397 0.03164861 -0.00421018
-2.92625267 12.35012537 -0.11629072
-0.00047393 -0.00089813 0.00019800
-0.00024812 0.00480644 -0.01293513
-5.54308828 12.93141697 0.73091216
-0.00044622 -0.00025299 0.00005550
-0.00478461 0.00372414 -0.01735635
3.24524292 11.54427877 2.64795260
-0.00118546 0.00002377 -0.00114058
-0.00155591 -0.00817261 0.00339114
6.10400997 11.40123063 3.03983834
-0.00029657 0.00031409 0.00004186
0.03129894 -0.01788225 0.00562272
25.19110020 -12.57872616 -8.46241769
-0.00008850 -0.00076470 -0.00007668
0.00766477 -0.01522111 0.01079332
26.40438321 -11.45213160 -11.20442216
-0.00035239 0.00039139 -0.00134986
0.00713261 -0.01024976 -0.00394712
15.60851738 -2.87986589 0.50005412
0.00075478 0.00091325 0.00079957
0.00393177 -0.01711036 -0.01494466
16.94968314 -5.42531012 -0.71905506
-0.00011749 -0.00005630 -0.00027768
-0.00469711 0.03107029 0.00484726
12.09010744 8.01531087 11.50078118
-0.00055663 0.00075529 -0.00005507
-0.01120001 -0.00262420 0.02383977
13.37974143 9.61173351 9.59906009
0.00018932 -0.00055106 -0.00018256
0.01265317 -0.00646957 -0.00203119
-0.02993200 -14.58815945 17.44468181
0.00072643 0.00002072 -0.00027578
-0.00529037 -0.00849301 -0.00918746
1.60354486 -12.64760278 18.74330002
0.00078806 -0.00008260 0.00069076
0.00972447 -0.01129748 -0.01454523
-3.91585154 -1.89705207 -12.75250631
0.00063620 0.00089908 0.00011335
0.00578364 0.01121805 -0.01166169
-2.94272427 -1.72201444 -15.49069951
0.00135362 -0.00140164 0.00026073
0.00191172 0.00556740 -0.00024369
14.79735937 -8.09365621 -10.58408893
-0.00009306 0.00026543 -0.00084528
-0.00261517 0.00150609 0.00633205
16.26678483 -6.22716144 -8.94242773
0.00083356 0.00049747 -0.00027147
0.01984518 0.01714901 -0.00660333
7.01432678 -5.82407496 8.37728303
0.00035570 0.00051823 0.00058774
0.00771184 -0.01155759 0.01765222
9.75140557 -6.50027789 7.80990325
0.00001679 -0.00025099 0.00077180
-0.01465389 -0.01050213 0.01530230
-21.39067014 2.07751055 21.07148486
0.00154844 0.00043223 0.00046603
-0.00329718 -0.00333710 -0.01325116
-22.41546397 1.44580223 23.83435542
-0.00002694 -0.00045535 0.00004217
0.01220193 0.00227565 -0.01578596
26.82267927 -2.93028417 -6.76456278
0.00020949 0.00028036 -0.00046344
0.00216366 0.00348825 -0.00201270
25.38581291 -1.47066251 -8.89892571
0.00057662 0.00006109 -0.00019081
0.00099746 0.01570172 -0.00355744
10.02877646 -15.65687377 -7.89801474
0.00007713 0.00086852 -0.00028625
-0.00561808 0.00054251 0.00846265
9.39662089 -12.82004088 -7.08411967
-0.00028551 0.00022619 -0.00058664
-0.00763836 -0.00303217 0.00169568
-5.83939770 -11.26617211 18.25798368
0.00006141 -0.00025722 -0.00033827
-0.01299862 -0.01897018 -0.01477338
-6.80175830 -11.22297168 15.54080917
0.00036773 0.00044575 0.00008054
-0.00329724 -0.00224770 -0.00292865
8.54847248 1.34990127 -29.54552687
0.00075172 0.00087654 0.00014539
-0.00244805 0.01926568 0.00604300
6.03707990 2.53814756 -30.12182696
-0.00026967 -0.00064944 -0.00042867
-0.02207810 -0.00069252 -0.00801138
12.54795839 15.01863564 14.59874933
-0.00057776 0.00056453 0.00071988
0.04040387 -0.00498704 -0.01142400
11.36741888 16.14404445 17.23725303
0.00067168 0.00047453 0.00016001
-0.00379691 -0.01334148 -0.04275888
29.22173639 5.07492763 -4.76960859
-0.00073991 0.00076519 -0.00045652
-0.00520588 0.00064624 -0.00089165
27.07882183 6.90293685 -3.78056797
-0.00000986 0.00043479 -0.00024141
-0.01554439 0.00053164 -0.00806488
-9.95376130 4.98376728 6.49787455
-0.00001018 0.00025798 -0.00021107
0.00313282 0.00693675 0.00219342
-8.82281083 13.36722903 2.60032639
-0.00013542 0.00003461 0.00002616
-0.00046338 -0.00415562 0.00274976
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09543693
0.30098604
401.04880596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3925814249 (a.u.)
total exchange computation time: 2.6569280624 s
-154.1785978622
-931.39872281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3921975499 (a.u.)
total exchange computation time: 2.6536431313 s
-154.1826502022
Anderson extrapolation: theta=1.3736293531 (1.3736293531)
-931.39899318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3915937945 (a.u.)
total exchange computation time: 2.6543440819 s
-154.1886347523
Anderson extrapolation: theta=0.0594274153 (0.0594274153)
-931.39916200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3914967952 (a.u.)
total exchange computation time: 2.6589970589 s
-154.1893699080
Anderson extrapolation: theta=2.0856956576 (2.0000000000)
-931.39916985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3912878632 (a.u.)
total exchange computation time: 2.6542370319 s
-154.1908405752
Anderson extrapolation: theta=0.2737636047 (0.2737636047)
-931.39917901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3912328081 (a.u.)
total exchange computation time: 2.6557359695 s
-154.1911261715
Anderson extrapolation: theta=1.5393613428 (1.5393613428)
-931.39918102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3911705015 (a.u.)
total exchange computation time: 2.6530249119 s
-154.1913214461
Anderson extrapolation: theta=0.3382069403 (0.3382069403)
-931.39918314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3911716931 (a.u.)
total exchange computation time: 2.6535670757 s
-154.1911658831
Anderson extrapolation: theta=1.1019788067 (1.1019788067)
-931.39918372
-117.958278 68.329312 97.823660
559.562466 1031.749156 -409.433983
441.604188 1100.078468 -311.610323
1225.678542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3911889101 (a.u.)
total exchange computation time: 2.6578609943 s
679.22809072
-1084.28422449
89.76784915
-388.81846819
-174.90124237
78.56176027
551.60419304
0.00000000
-931.39918410
4.07540211 -31.37316058 -2.20833953
0.00000151 -0.00042496 -0.00000534
-0.01679059 0.00650045 -0.01345019
-11.55207703 -1.48002081 -9.35039145
-0.00028163 0.00021645 -0.00021957
-0.02325684 -0.01616245 -0.01510722
-37.52979477 2.39830522 0.24706577
-0.00002571 0.00008017 -0.00003527
0.00746954 0.04215562 -0.04162769
-11.76007150 -4.20608433 4.03559411
-0.00010537 0.00001217 0.00019338
0.03470394 -0.00712093 -0.01753067
4.04929694 -4.08052951 8.85192545
-0.00021725 -0.00016631 -0.00049201
0.00080425 0.03002903 -0.00814799
-32.68161209 -0.31148691 -0.01714671
-0.00058177 0.00002892 0.00044833
0.00396889 0.03577354 0.00907552
14.28606346 12.47462054 -13.55941871
0.00006205 0.00000664 0.00012941
0.06807749 -0.00405518 0.03722453
-7.75240407 6.09090274 2.69168355
-0.00000447 -0.00002442 -0.00002822
0.01293515 -0.02962650 -0.00918457
7.28006983 12.20917783 -6.10838983
-0.00021259 -0.00029142 -0.00031166
0.01875972 0.02152148 -0.02558296
8.80818609 9.92826102 -19.09045111
0.00003885 -0.00013343 -0.00019611
0.02793884 -0.01979511 -0.01146560
23.17888432 17.33169077 -2.35710377
0.00004456 0.00005956 -0.00026079
-0.01582290 0.02705125 0.00442300
2.08309175 16.83930039 -19.66582162
-0.00004048 0.00009963 -0.00014954
0.01173890 -0.00022686 0.03253363
13.99776126 -0.92031967 -5.81232161
0.00011320 0.00017605 0.00000233
-0.00168480 -0.01533131 0.03192524
-16.06539405 -1.39451374 3.22684888
-0.00015113 -0.00013913 -0.00008903
-0.04492106 -0.01262442 -0.00370426
-16.15420147 -2.24886805 18.78260512
0.00038510 -0.00036214 -0.00014416
0.00814216 -0.00139200 0.01855599
0.47211069 2.12642796 -4.69814006
-0.00016471 0.00012128 0.00023333
0.00531572 -0.00054891 0.00065797
22.73803890 -7.08722714 -8.80761323
-0.00004259 -0.00001718 0.00000026
0.02068437 -0.02253271 -0.00618619
-0.75363284 -6.35103364 7.29717355
0.00006789 -0.00015724 -0.00001125
-0.01204271 -0.00757854 0.00485442
-1.75994275 -1.40850463 -19.34915691
-0.00014056 -0.00012753 -0.00007240
-0.04511934 0.02738281 0.00527710
3.14142616 1.65746248 -9.24519976
-0.00011965 -0.00028233 0.00015972
0.02008956 0.01701309 -0.03710680
-3.64048622 17.72020929 12.32806542
0.00016804 0.00013065 0.00008441
0.00925869 -0.00430095 -0.00094808
-3.87864396 5.13015197 -11.22387192
-0.00017059 0.00024983 -0.00020499
0.05620563 0.00410098 0.02050865
-7.88025967 2.73889068 -8.89123635
0.00000045 -0.00014234 0.00012281
-0.05575881 -0.01969841 0.02146526
2.47213384 27.52220021 8.89812700
0.00019253 0.00006712 0.00022947
0.01177526 -0.01054136 -0.00914863
9.46951741 -6.25217716 -1.75187723
-0.00034851 -0.00001866 0.00005582
-0.00273086 0.01544895 -0.00695263
-8.66184374 0.74517502 6.15790551
0.00010580 -0.00016012 0.00026428
-0.04919534 0.01048976 -0.00348287
20.49215358 10.91452299 8.72267792
0.00018268 0.00013704 -0.00006589
-0.00002169 -0.02942184 0.01894574
-1.98666587 -2.19443478 -27.60095356
0.00000023 -0.00005275 -0.00012627
0.01295412 -0.01877024 0.03858112
-14.21291066 6.15847703 8.01548770
0.00019629 0.00009193 0.00029139
0.01623938 -0.00808170 0.00282224
-9.64916441 7.22451622 -2.09584310
-0.00030410 -0.00004185 0.00047011
-0.00955317 0.00840730 -0.00680509
-1.77257380 -15.14989882 23.18181713
0.00010161 0.00024007 -0.00054289
0.04008025 0.02510886 -0.01445331
-2.73734414 6.30386120 -6.10108733
-0.00026678 -0.00007922 0.00012338
-0.00523004 -0.00641677 0.00962315
-20.34435790 30.25715830 4.17918062
-0.00021199 -0.00071458 0.00004542
-0.00439735 0.01628065 0.02137944
7.73484764 0.52430873 7.51748244
0.00008847 0.00060746 -0.00020687
0.01735674 0.00273921 0.02892672
5.78730866 11.29105805 -13.40788590
0.00011661 -0.00054923 0.00007523
-0.03811459 -0.00703496 -0.06107063
15.60104420 2.79894558 -1.69538436
0.00014279 0.00010964 0.00026331
-0.01770161 -0.01469298 0.01005444
-4.45754415 13.10875387 -0.79673525
0.00001441 -0.00035999 0.00000002
0.00526119 -0.01010946 0.02223997
4.78763295 12.52511938 2.58509676
0.00019341 0.00022145 -0.00041107
-0.04065640 0.02389357 0.00259401
25.08639154 -11.49541316 -9.88163824
-0.00017191 0.00013716 0.00026231
-0.02551959 0.02185817 0.00659314
16.83329325 -3.51147644 -0.75103898
0.00032667 0.00029205 -0.00014339
-0.00194066 -0.01451110 0.01381586
13.40141901 7.87566915 10.26361499
0.00052338 -0.00031933 0.00003916
0.00420222 -0.00167969 -0.02231539
1.72545552 -14.05973892 17.52452183
0.00015352 0.00002327 -0.00009139
0.00742482 0.03002757 0.02277589
-3.70362194 -0.69281188 -14.17885650
0.00015019 0.00009031 0.00021493
-0.00778240 -0.01855581 0.00581178
14.99071858 -7.51615692 -8.83860216
-0.00017175 -0.00021834 0.00014663
-0.00266765 -0.03591654 -0.01628215
8.36865567 -7.01639989 8.97267943
0.00008131 0.00031315 0.00001011
0.01101642 0.03808064 -0.02481331
-21.10155752 2.35589262 22.84230761
-0.00003560 0.00015393 0.00001377
-0.00833978 0.00311103 0.03195228
25.71552893 -3.11492637 -8.21939546
0.00008036 0.00019846 -0.00010886
0.00568936 -0.02248318 0.01212235
9.91278608 -13.92493047 -8.45101533
0.00008346 -0.00010629 -0.00032754
0.00195221 0.00274719 -0.01161291
-6.71327454 -12.36424944 16.97316041
0.00012954 0.00028057 0.00004097
0.01567792 0.02687732 0.01643946
7.59341775 2.94260153 -29.31715187
-0.00045402 -0.00058448 -0.00004443
0.03029811 -0.01503467 0.00196024
11.07607655 15.67061139 15.39138499
-0.00000400 0.00030940 0.00001240
-0.06690588 0.02743568 0.06912773
28.76877542 6.32766552 -3.48140103
0.00023718 0.00020365 -0.00002403
0.01823722 -0.00159603 0.01697231
5.29939278 -31.97983127 -3.40839048
-0.00019033 -0.00066645 -0.00000588
0.00487283 -0.00190011 -0.01469407
4.84531342 -31.46523496 -0.57173615
0.00008209 -0.00080609 -0.00027223
0.00068033 -0.00251654 0.01729004
-12.13465461 -3.26973262 -9.23280164
-0.00038575 0.00004275 -0.00053921
0.00436105 0.02317183 -0.00635490
-12.25175647 -0.68907748 -10.89299242
0.00067964 0.00074878 0.00000909
0.00690527 -0.01630507 0.01620975
-38.94693951 2.27057959 1.33631380
0.00011363 0.00063663 0.00013569
-0.01394566 -0.00294590 0.00776722
-37.93229435 3.91188889 -0.91426799
0.00019102 -0.00021240 0.00032902
0.01036976 -0.02792188 0.02015297
-10.70513471 -5.58757586 3.14337199
-0.00003263 0.00020945 -0.00024667
-0.02173023 0.02667030 0.02339860
-10.58811973 -2.73713832 4.09860116
0.00031020 -0.00049977 0.00077216
-0.01536315 -0.01630832 0.00116352
4.23024779 -2.24682938 8.34894176
-0.00048312 -0.00005260 0.00014045
-0.00247744 -0.03790191 0.01375916
3.65485398 -4.08100374 10.66739602
-0.00045845 -0.00065726 -0.00016624
0.00818406 0.00430352 -0.00819353
-34.27040463 -1.16463846 0.12310672
-0.00104526 0.00034040 0.00036191
-0.00595946 -0.00089213 0.00059864
-33.10167913 1.45885362 0.55536132
-0.00055437 0.00113374 -0.00074409
0.00210918 -0.03618134 -0.01166515
13.56285955 12.91771380 -15.05778282
-0.00080156 0.00061428 0.00057622
-0.03641604 0.01950760 -0.06063383
16.11759866 12.56878907 -14.06506587
-0.00148077 -0.00013239 -0.00052642
-0.02702153 -0.00911048 0.01574489
-8.25749668 7.61141248 1.84387352
0.00088034 -0.00003417 0.00017753
0.00056695 -0.00083573 -0.01158009
-7.31126504 4.79690487 1.32990709
-0.00028585 0.00055399 0.00104023
-0.01003870 0.02675346 0.02204008
6.22460460 12.44514020 -7.63916257
0.00008194 -0.00008180 -0.00069228
0.00937896 -0.00609952 0.02006440
8.79006456 13.40637214 -6.44011204
-0.00022220 0.00002821 0.00061127
-0.01950956 -0.00938658 0.00355901
8.72055962 8.38710988 -20.11683868
0.00083255 -0.00010620 0.00045750
0.00017351 0.01265663 0.00882689
10.57902739 10.59905123 -19.31817919
0.00023351 -0.00104508 0.00051328
-0.02575530 -0.00192837 0.00312392
24.12535001 15.84816734 -2.76001267
0.00023725 0.00005198 -0.00004736
0.01716462 -0.01904961 -0.00907112
24.10559077 18.79537168 -2.96144461
-0.00056394 0.00018025 -0.00054293
0.01711627 -0.01128825 0.00686742
1.59239175 16.99874581 -21.40435962
-0.00007014 -0.00037085 0.00118174
0.00371651 -0.00682012 -0.01694498
3.52586818 15.65161198 -19.42814439
-0.00091122 0.00026624 0.00010782
-0.01851218 0.01047517 -0.01008392
12.92731863 -1.74222194 -7.04848134
0.00052721 -0.00085514 -0.00001942
-0.00366935 0.00180131 -0.00409607
13.04543092 -1.00406906 -4.21458185
-0.00104276 -0.00044037 -0.00108510
0.00934440 0.00254014 -0.01630903
-17.90331132 -1.89320554 2.98204417
-0.00059902 0.00025185 0.00109553
0.04282654 0.00075041 0.00350517
-15.01395726 -2.82974351 2.75844061
-0.00001228 -0.00037498 0.00035273
-0.00249137 -0.00023252 0.00933525
-16.49578317 -0.61643249 19.61348670
0.00100533 0.00072934 -0.00067909
0.01192041 -0.01163318 -0.00207201
-14.90945868 -3.19254810 19.85455261
0.00067518 -0.00005272 0.00003592
-0.02096248 0.01458244 -0.01827586
-0.29414652 0.48092971 -4.99359718
0.00062586 -0.00052938 -0.00031220
-0.00630186 -0.01120589 -0.00074752
-0.95680616 3.20606873 -5.04726774
0.00084689 0.00050746 -0.00020168
-0.00349353 0.01468184 -0.00097489
23.75136364 -8.66740336 -9.24473511
0.00090184 0.00097326 0.00008547
-0.01612452 0.01755600 0.00812150
23.98591024 -5.82412205 -8.26507641
-0.00013316 -0.00044277 0.00034817
-0.00958772 -0.00123206 -0.00461219
-0.32407222 -6.28598490 5.52961313
-0.00126495 0.00019807 0.00000312
0.00959374 0.00351135 -0.00237829
0.81130424 -6.37516817 8.24600697
-0.00003386 0.00054023 -0.00023862
0.00034465 0.00850137 -0.00691436
-0.30848471 -2.37854408 -19.53390285
0.00027198 0.00058875 0.00007338
0.02687562 -0.02973505 -0.00556254
-3.12953775 -2.06814705 -20.42561239
0.00043086 -0.00007326 0.00035683
0.01860161 -0.00247265 0.00045709
2.87599282 3.19563757 -10.27553713
0.00004030 0.00026344 0.00035657
-0.00174876 -0.01597501 -0.00106866
1.97050399 1.69410807 -7.91277107
-0.00015634 0.00037226 -0.00021890
-0.02403149 0.01245402 0.03219241
-2.12261591 16.58558106 12.34444820
0.00111437 -0.00086669 0.00030968
-0.00880695 0.00960262 0.00125105
-3.55753500 18.48570257 13.99587953
0.00103127 0.00002970 -0.00034739
0.00874901 0.00761161 -0.00012883
-5.38060490 5.99487986 -11.08577462
-0.00023287 0.00082090 -0.00018232
-0.05127888 0.03106461 -0.00555132
-4.12717966 3.75397490 -12.29313066
0.00101054 -0.00090442 -0.00055152
-0.00118066 -0.02819753 -0.02400521
-7.76133995 1.33723889 -7.61713847
-0.00032917 -0.00041241 -0.00095283
-0.00430252 0.01961971 -0.01049534
-6.26293759 3.10926184 -9.35287796
0.00061018 -0.00066327 0.00068758
0.05587403 0.01190766 -0.01226294
3.05583343 27.61077379 7.13682228
-0.00035599 -0.00100070 0.00092635
-0.01174634 0.00151344 0.01606924
1.28420818 28.86504905 9.09314942
0.00020608 0.00057602 0.00001158
-0.00701749 0.00595989 0.00008249
10.53044116 -7.17170944 -0.62811957
0.00023246 0.00055246 0.00087432
0.01311877 -0.00707451 0.01540333
8.37774841 -7.50375712 -2.45305205
-0.00044429 -0.00046414 0.00056041
-0.00990397 -0.00553998 -0.00613476
-7.12378402 0.11006291 6.86793657
-0.00024163 -0.00037242 0.00031809
0.01234809 -0.00919243 0.01849059
-10.22818123 0.49971821 7.20562564
-0.00060505 0.00079180 -0.00006412
0.03557557 -0.00905805 -0.01261363
21.13645758 11.07027730 10.44416597
-0.00086691 0.00069634 -0.00000076
-0.00033567 -0.00678728 -0.00887146
20.37568813 12.62068862 8.22483311
-0.00021961 0.00020641 -0.00069223
0.00531749 0.03385349 -0.01453884
-0.87867971 -3.29198721 -26.42173500
0.00033781 -0.00056181 -0.00044573
-0.02718065 0.00794712 -0.03268945
-3.39860017 -1.96897041 -26.44113075
0.00103832 0.00024998 -0.00032253
-0.00534276 0.00324026 -0.00652556
-13.50105066 7.02512798 9.47259891
0.00042306 -0.00087574 0.00056479
-0.00969153 -0.00120783 -0.00377008
-15.32666955 7.36352792 7.24684247
0.00057296 -0.00003429 0.00035579
-0.00049931 0.00789295 0.00244482
-11.37106712 7.84918523 -2.17052141
-0.00027542 -0.00074837 0.00119001
-0.00031152 -0.00987893 -0.00015009
-8.86371157 8.13091131 -3.51958051
0.00005707 -0.00008188 -0.00012579
0.00463672 -0.00034061 0.00375896
-1.10234708 -16.71714356 22.60283738
0.00036696 0.00096704 -0.00055871
0.01835563 -0.01776420 -0.00681583
-3.39198790 -15.58682767 23.57909375
-0.00091760 0.00029362 0.00044785
-0.06267439 -0.00832997 0.01917503
-2.81868131 6.30130280 -7.91305730
-0.00037533 -0.00060619 0.00038542
0.00298634 -0.00513920 -0.01183493
-4.47856199 6.58614615 -5.61166990
0.00103089 -0.00031221 0.00087209
0.00282265 0.00415908 0.00232081
-21.78182192 29.82038761 3.12728356
-0.00080121 0.00003653 -0.00056184
-0.00318867 -0.00979454 -0.01916248
-21.35777242 30.95903310 5.55304952
-0.00075759 0.00054073 0.00048121
0.01110285 0.00287238 0.00360839
6.97861100 -0.05787524 5.97543154
0.00052676 -0.00112611 -0.00044622
-0.00554059 -0.00459023 -0.02022894
7.22094665 2.22991931 7.86420687
-0.00009083 0.00009433 0.00078057
-0.00320082 0.00715162 -0.00207344
6.93041278 12.66281959 -13.00165407
-0.00056734 -0.00047575 0.00059069
0.01614513 0.01465747 -0.00579853
4.87807676 11.91788752 -15.03030639
0.00076508 0.00023821 0.00007945
0.02704410 -0.01842342 0.04908510
14.22194212 3.92240013 -2.22786833
-0.00022631 0.00031060 0.00086659
0.00625450 -0.00573996 -0.00215174
14.78002653 1.10894958 -1.48529944
0.00000250 0.00072117 0.00089128
0.01289106 0.02941768 -0.00444585
-2.93336924 12.33680072 -0.11371706
-0.00047335 -0.00087912 0.00014568
0.00053520 0.00450066 -0.01267870
-5.54992823 12.92773626 0.73121283
-0.00046375 -0.00023720 -0.00001816
-0.00379428 0.00400618 -0.01870197
3.22741340 11.54438496 2.63094787
-0.00117441 -0.00000054 -0.00112631
0.00696498 -0.00373182 0.00359313
6.10052047 11.40539394 3.04063852
-0.00016709 0.00023753 0.00006594
0.03208148 -0.01959012 0.00616511
25.19000751 -12.59066312 -8.46323713
-0.00005741 -0.00082342 -0.00003732
0.00755604 -0.01352137 0.00847251
26.39931589 -11.44657476 -11.22479107
-0.00033079 0.00034839 -0.00135760
0.00344280 -0.01080196 0.00015860
15.61995959 -2.86669153 0.51158971
0.00077509 0.00084022 0.00073324
0.00600786 -0.01863844 -0.01752341
16.94777687 -5.42520250 -0.72307178
-0.00013673 0.00007390 -0.00025733
-0.00471949 0.03266502 0.00511783
12.08141473 8.02655978 11.50068566
-0.00059314 0.00074263 0.00003444
-0.00667214 -0.00357087 0.01997650
13.38296899 9.60326929 9.59625939
0.00024210 -0.00057580 -0.00019209
0.01317967 -0.00563666 -0.00263376
-0.01919769 -14.58810897 17.44026359
0.00069717 -0.00001537 -0.00031287
-0.00903071 -0.00917311 -0.00896882
1.61566370 -12.64918791 18.75321564
0.00082664 -0.00013257 0.00062751
0.00916367 -0.01316723 -0.01641254
-3.90613133 -1.88322210 -12.75116346
0.00065800 0.00093954 0.00007292
0.00488985 0.00858932 -0.00812838
-2.92236138 -1.74286839 -15.48679597
0.00135268 -0.00136699 0.00027290
-0.00237095 0.01139036 0.00620098
14.79588333 -8.08962863 -10.59657408
-0.00010325 0.00027411 -0.00080880
-0.00237150 0.00274420 0.01152391
16.27989628 -6.21917390 -8.94670215
0.00090231 0.00055486 -0.00029741
0.01381248 0.01094391 -0.00609264
7.01989855 -5.81665569 8.38664006
0.00038566 0.00047269 0.00065795
0.00695725 -0.01073259 0.01671447
9.75120836 -6.50436463 7.82194909
-0.00003720 -0.00029093 0.00082853
-0.01177506 -0.00904597 0.01246975
-21.36754451 2.08389179 21.07806929
0.00153184 0.00041602 0.00040121
-0.00483269 -0.00460107 -0.01848060
-22.41549420 1.43904177 23.83450428
0.00002483 -0.00044389 -0.00002565
0.01314312 0.00333447 -0.01741534
26.82588796 -2.92597187 -6.77157611
0.00022033 0.00029432 -0.00046911
0.00314000 0.00334602 -0.00076337
25.39449274 -1.46926507 -8.90189690
0.00057988 0.00012744 -0.00020657
0.00059874 0.01677672 -0.00415739
10.02976132 -15.64382939 -7.90204922
0.00005532 0.00085652 -0.00024718
-0.00506017 -0.00641754 0.01066261
9.39210419 -12.81674092 -7.09286731
-0.00031627 0.00021334 -0.00058097
-0.00741921 -0.00326081 0.00108208
-5.83887489 -11.27061168 18.25245698
0.00001147 -0.00033052 -0.00039337
-0.01144583 -0.01691192 -0.01219764
-6.79634339 -11.21635426 15.54192751
0.00035390 0.00043607 0.00006875
-0.00347091 -0.00249070 -0.00284341
8.55967328 1.36363980 -29.54316082
0.00074401 0.00094728 0.00016832
-0.00132641 0.01535822 0.00518015
6.03235835 2.52838480 -30.12850253
-0.00035774 -0.00065369 -0.00046075
-0.02103598 -0.00138929 -0.00768925
12.54053016 15.02695075 14.60919740
-0.00040185 0.00053853 0.00066607
0.04570310 -0.00773751 -0.01491490
11.37737770 16.15075363 17.23834284
0.00065419 0.00041946 -0.00001676
-0.00476446 -0.01361549 -0.04377058
29.21047820 5.08642529 -4.77648368
-0.00075850 0.00076445 -0.00046240
-0.00389345 -0.00100938 -0.00198584
27.07819764 6.90947505 -3.78443629
-0.00006806 0.00043581 -0.00027239
-0.01294714 -0.00003634 -0.00709913
-9.95390565 4.98765563 6.49471441
-0.00000904 0.00026043 -0.00021025
0.00324299 0.00675964 0.00238577
-8.82484290 13.36774100 2.60072363
-0.00013551 0.00003365 0.00002681
-0.00032351 -0.00415411 0.00280887
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09549263
0.30369146
404.65364996
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3932202093 (a.u.)
total exchange computation time: 2.6543190479 s
-154.1780740964
-931.40248179
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3929062566 (a.u.)
total exchange computation time: 2.6525199413 s
-154.1814746560
Anderson extrapolation: theta=1.3272337788 (1.3272337788)
-931.40271492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3924194658 (a.u.)
total exchange computation time: 2.6561658382 s
-154.1863688354
Anderson extrapolation: theta=0.0468210969 (0.0468210969)
-931.40285152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3923371338 (a.u.)
total exchange computation time: 2.6539280415 s
-154.1869747628
Anderson extrapolation: theta=1.8161621731 (1.8161621731)
-931.40285615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3921634606 (a.u.)
total exchange computation time: 2.6549940109 s
-154.1881765625
Anderson extrapolation: theta=0.2095412126 (0.2095412126)
-931.40286063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3921169011 (a.u.)
total exchange computation time: 2.6571729183 s
-154.1884334052
Anderson extrapolation: theta=1.9808354088 (1.9808354088)
-931.40286146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3920382355 (a.u.)
total exchange computation time: 2.6548089981 s
-154.1887893313
Anderson extrapolation: theta=0.2994177651 (0.2994177651)
-931.40286258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3920301530 (a.u.)
total exchange computation time: 2.6556599140 s
-154.1887423828
Anderson extrapolation: theta=1.3318454202 (1.3318454202)
-931.40286287
-117.983334 68.360363 97.817620
559.597728 1031.760027 -409.402784
441.614394 1100.120390 -311.585163
1225.713449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3920324090 (a.u.)
total exchange computation time: 2.6543500423 s
679.24436111
-1084.30512654
89.75800805
-388.80510849
-174.90296483
78.57037278
551.60419304
0.00000000
-931.40286312
4.07535999 -31.37950997 -2.20847152
-0.00000725 -0.00042167 -0.00001255
-0.01728792 0.00632071 -0.01456745
-11.55639121 -1.47683642 -9.35374320
-0.00029328 0.00020773 -0.00022674
-0.02203562 -0.01773264 -0.01277687
-37.53015165 2.39967033 0.24637612
-0.00002178 0.00010136 -0.00005627
0.00782405 0.04026971 -0.04004131
-11.76151813 -4.20592929 4.03842725
-0.00008757 0.00000826 0.00018432
0.03448878 -0.00806240 -0.01772743
4.04604122 -4.08290836 8.84451394
-0.00021702 -0.00015113 -0.00049543
0.00012591 0.02902981 -0.00517384
-32.69032339 -0.31091516 -0.01038677
-0.00058029 0.00004789 0.00045315
0.00180956 0.03800089 0.00968956
14.28725687 12.47470442 -13.55733396
0.00009467 0.00000462 0.00014809
0.05877095 -0.00377161 0.03539774
-7.75242121 6.09042222 2.69122486
0.00000199 -0.00003903 -0.00003140
0.01219464 -0.02718528 -0.00317720
7.27695339 12.20488962 -6.11316346
-0.00020297 -0.00028031 -0.00032488
0.01862961 0.02166171 -0.02579906
8.80887654 9.92618318 -19.09343705
0.00005316 -0.00014319 -0.00020153
0.02770858 -0.01814896 -0.00958094
23.17949173 17.33268855 -2.36099859
0.00003637 0.00007305 -0.00025857
-0.01605570 0.02538195 0.00422053
2.08252985 16.84079400 -19.66793919
-0.00003474 0.00010005 -0.00013053
0.01058114 0.00184881 0.04139296
13.99945280 -0.91773806 -5.81216347
0.00011200 0.00016769 0.00001790
-0.00300708 -0.01719546 0.02859161
-16.06783425 -1.39664935 3.22549910
-0.00017410 -0.00014563 -0.00009074
-0.04439385 -0.01265848 -0.00292108
-16.14839349 -2.25430555 18.78051426
0.00038921 -0.00036193 -0.00013417
0.00783204 0.00219896 0.02030266
0.46966052 2.12824500 -4.69463754
-0.00016120 0.00011993 0.00023369
0.00833058 -0.00468653 0.00073781
22.73747990 -7.08757172 -8.80763314
-0.00003214 -0.00002850 -0.00000290
0.01993293 -0.02151325 -0.00609683
-0.75266101 -6.35342141 7.29702347
0.00006100 -0.00016111 -0.00000837
-0.01472749 -0.00749463 0.00635023
-1.76222514 -1.41031196 -19.35022254
-0.00016273 -0.00011307 -0.00006890
-0.04110568 0.02885219 0.00832292
3.13970894 1.65329315 -9.24294702
-0.00010929 -0.00027301 0.00014011
0.02020320 0.01924928 -0.03917794
-3.63792997 17.72215240 12.32932785
0.00017423 0.00012690 0.00008336
0.01482270 -0.01025798 -0.00312353
-3.88098600 5.13391518 -11.22686771
-0.00014268 0.00025064 -0.00019563
0.05231423 -0.00091800 0.01591819
-7.88046794 2.73667966 -8.88931146
-0.00002701 -0.00015162 0.00013285
-0.05104454 -0.01640224 0.01757587
2.47506719 27.52316636 8.90153383
0.00019751 0.00006219 0.00022649
0.00759939 -0.00862745 -0.00245773
9.46427925 -6.25239748 -1.75106669
-0.00034938 -0.00001154 0.00005290
-0.00065184 0.01224611 -0.00442249
-8.66044652 0.74281373 6.16185625
0.00008000 -0.00015450 0.00026238
-0.05112704 0.01133919 -0.00390799
20.49489362 10.91646503 8.72176259
0.00018242 0.00012262 -0.00005688
-0.00097980 -0.02664302 0.01609956
-1.98661248 -2.19529837 -27.60269877
0.00000843 -0.00006276 -0.00010745
0.01895796 -0.02015299 0.03459350
-14.20990369 6.15982483 8.01986949
0.00020499 0.00008704 0.00029286
0.01761042 -0.01093630 0.00287047
-9.65376273 7.22392097 -2.08881766
-0.00030790 -0.00003742 0.00046603
-0.00524564 0.00879430 -0.00905808
-1.77089505 -15.14620098 23.17361801
0.00011851 0.00025327 -0.00054916
0.02564958 0.02624851 -0.00993471
-2.74136607 6.30264820 -6.09919958
-0.00026726 -0.00008282 0.00012827
0.00337539 -0.00760802 0.00941186
-20.34755477 30.24650243 4.17994445
-0.00021608 -0.00070562 0.00005713
-0.01149285 0.01855102 0.02413917
7.73624162 0.53343127 7.51449093
0.00009737 0.00060778 -0.00019283
0.01725911 -0.00150791 0.02568710
5.78891081 11.28279249 -13.40699298
0.00009704 -0.00055278 0.00004391
-0.03798707 -0.00678734 -0.06074365
15.60311774 2.80053353 -1.69139597
0.00013361 0.00010297 0.00026834
-0.01799292 -0.01125584 0.00950357
-4.45730768 13.10331508 -0.79664910
0.00001666 -0.00036509 0.00001162
0.00347015 -0.00975239 0.02287063
4.79037728 12.52853336 2.57894070
0.00017055 0.00023280 -0.00040975
-0.04824602 0.02023702 0.00253272
25.08371440 -11.49327145 -9.87767821
-0.00018392 0.00014807 0.00026529
-0.02115237 0.02056602 0.00501277
16.83818585 -3.50715164 -0.75313654
0.00032522 0.00028467 -0.00013578
-0.00370046 -0.01420232 0.01576485
13.40928595 7.87087271 10.26411631
0.00052413 -0.00032016 0.00002896
-0.00128165 -0.00154409 -0.01734488
1.72778690 -14.05927402 17.52323884
0.00015835 0.00003919 -0.00007938
0.01137904 0.03189121 0.02394133
-3.70139910 -0.69152873 -14.17561008
0.00014743 0.00008016 0.00021544
-0.00294012 -0.02091749 -0.00383646
14.98813205 -7.51957062 -8.83646545
-0.00017148 -0.00023541 0.00013698
0.00369720 -0.03043506 -0.02126454
8.36991776 -7.01155575 8.97273542
0.00008622 0.00033183 -0.00000153
0.00807744 0.03457463 -0.02048227
-21.10212375 2.35821353 22.84263741
-0.00003976 0.00015564 0.00003170
-0.00782197 0.00355718 0.03777779
25.71675629 -3.11203612 -8.22098159
0.00008310 0.00018670 -0.00010286
0.00494422 -0.02325135 0.01120507
9.91404554 -13.92651426 -8.45597320
0.00008426 -0.00010301 -0.00033391
0.00114665 0.01002862 -0.01318364
-6.71127090 -12.35993718 16.97383833
0.00013706 0.00029377 0.00004861
0.01353756 0.02444283 0.01327722
7.58672435 2.93377637 -29.31781078
-0.00043929 -0.00059091 -0.00004331
0.02697950 -0.00997523 0.00239532
11.07575848 15.67535822 15.39183766
-0.00003923 0.00032400 0.00004859
-0.07008263 0.02934053 0.07160393
28.77240344 6.33071415 -3.48169606
0.00024546 0.00020342 -0.00001534
0.01395371 0.00069092 0.01683281
5.29668711 -31.98988627 -3.40892888
-0.00017043 -0.00067416 -0.00006655
0.00486724 -0.00187200 -0.01500617
4.84656567 -31.47740337 -0.57528981
0.00008596 -0.00081603 -0.00019910
0.00121201 -0.00235076 0.01850650
-12.14030728 -3.26838127 -9.24108460
-0.00036753 0.00013955 -0.00056563
0.00455785 0.02421022 -0.00657385
-12.24135022 -0.67834543 -10.89235931
0.00070537 0.00068330 0.00007116
0.00568647 -0.01574568 0.01417474
-38.94566244 2.28003872 1.33858723
0.00005662 0.00062417 0.00016780
-0.01396138 -0.00315372 0.00795028
-37.92911134 3.90784722 -0.90871520
0.00023250 -0.00032245 0.00040781
0.00993630 -0.02594824 0.01841963
-10.70629011 -5.58361682 3.14038893
-0.00012201 0.00031794 -0.00015058
-0.02202197 0.02643486 0.02363807
-10.58393748 -2.74513468 4.11021923
0.00024815 -0.00056381 0.00077676
-0.01501088 -0.01503490 0.00108920
4.22292506 -2.24877977 8.35147007
-0.00049282 -0.00020553 0.00019565
-0.00227018 -0.03696000 0.01326382
3.64822797 -4.09073079 10.66465138
-0.00042400 -0.00063923 -0.00020401
0.00868063 0.00452041 -0.01029645
-34.28626613 -1.15955973 0.12855365
-0.00106571 0.00033954 0.00036436
-0.00405165 0.00046833 0.00060141
-33.10993001 1.47475094 0.54384256
-0.00054501 0.00097878 -0.00079264
0.00247189 -0.03967252 -0.01210225
13.54972021 12.92752573 -15.05099753
-0.00094865 0.00069272 0.00033534
-0.03558409 0.01888836 -0.05727607
16.09455915 12.56652410 -14.07247975
-0.00157407 -0.00016880 -0.00046580
-0.01865093 -0.00871549 0.01393190
-8.24427422 7.61087433 1.84618161
0.00088098 -0.00003296 0.00012774
-0.00025321 0.00142842 -0.01279357
-7.31586046 4.80603454 1.34618584
-0.00032370 0.00065423 0.00112053
-0.00848700 0.02231190 0.01726829
6.22612103 12.44372623 -7.64893189
0.00012094 -0.00010698 -0.00060894
0.00971253 -0.00622321 0.02072734
8.78613366 13.40650770 -6.43083398
-0.00030224 -0.00001055 0.00062480
-0.01966618 -0.00958666 0.00306671
8.73305321 8.38590465 -20.10970571
0.00083127 -0.00006024 0.00048999
-0.00080169 0.00984444 0.00707609
10.58174089 10.58331598 -19.31038429
0.00013048 -0.00105033 0.00052597
-0.02468060 -0.00064320 0.00308877
24.12943477 15.84836336 -2.76100109
0.00030642 -0.00002352 -0.00008388
0.01669334 -0.01791092 -0.00880288
24.09765614 18.79772955 -2.96937813
-0.00049236 0.00013530 -0.00051502
0.01792582 -0.01071616 0.00679660
1.59145360 16.99297400 -21.38715284
-0.00006027 -0.00039701 0.00109318
0.00111416 -0.00598283 -0.02640461
3.51163256 15.65592651 -19.42683608
-0.00097898 0.00030319 0.00006769
-0.01465541 0.00761646 -0.00956033
12.93511432 -1.75499385 -7.04889818
0.00051567 -0.00084582 -0.00003499
-0.00198072 0.00275933 -0.00352671
13.03007590 -1.01059682 -4.23135818
-0.00100528 -0.00042884 -0.00114562
0.00899862 0.00310389 -0.01331304
-17.91098435 -1.88940485 2.99858458
-0.00042207 0.00025403 0.00110849
0.04379255 0.00031814 0.00283618
-15.01421782 -2.83537540 2.76401758
-0.00002455 -0.00037483 0.00039099
-0.00351289 0.00031044 0.00939658
-16.48033792 -0.60584882 19.60323681
0.00105500 0.00067439 -0.00069067
0.01239338 -0.01526826 -0.00359521
-14.89997339 -3.19289206 19.85453138
0.00058901 0.00000683 -0.00003928
-0.02121810 0.01456723 -0.01853556
-0.28495174 0.47264561 -4.99830307
0.00060016 -0.00056849 -0.00031439
-0.00627940 -0.00793823 -0.00032478
-0.94420983 3.21413048 -5.05032287
0.00082617 0.00056919 -0.00020674
-0.00664853 0.01553683 -0.00149937
23.76439711 -8.65226647 -9.24320425
0.00083553 0.00103875 0.00011713
-0.01633232 0.01449924 0.00737892
23.98361901 -5.83080136 -8.25999512
-0.00017113 -0.00044359 0.00033071
-0.00899681 0.00083189 -0.00393702
-0.34275252 -6.28290626 5.52958703
-0.00122348 0.00021249 -0.00001033
0.01070726 0.00354674 -0.00420353
0.81080685 -6.36680418 8.24221585
-0.00002931 0.00057482 -0.00026657
0.00188392 0.00843142 -0.00676950
-0.30358143 -2.37062397 -19.53297256
0.00038102 0.00046775 0.00005028
0.02649832 -0.02949436 -0.00574781
-3.12250478 -2.06932167 -20.42024589
0.00050004 -0.00008690 0.00035273
0.01525822 -0.00420395 -0.00246346
2.87654370 3.19909963 -10.27022130
0.00003425 0.00019501 0.00035307
-0.00121038 -0.01752393 -0.00064632
1.96742256 1.70007355 -7.91506811
-0.00025610 0.00042213 -0.00008464
-0.02480418 0.01195861 0.03352813
-2.10617017 16.57287496 12.34913169
0.00106712 -0.00081927 0.00031422
-0.01432427 0.01360875 0.00097105
-3.54179782 18.48638138 13.99066471
0.00106635 0.00006383 -0.00034215
0.00842236 0.00909283 0.00269263
-5.38566925 6.00814524 -11.08867954
-0.00043486 0.00094050 -0.00020760
-0.04759875 0.02748205 -0.00682186
-4.11205774 3.73954451 -12.30213908
0.00100606 -0.00100269 -0.00063712
-0.00101182 -0.01990277 -0.01789719
-7.76640936 1.33165389 -7.63175254
-0.00034720 -0.00033642 -0.00099070
-0.00452436 0.01757877 -0.00804336
-6.25207277 3.09967768 -9.34294004
0.00082938 -0.00061596 0.00063953
0.05142732 0.01125053 -0.01125901
3.05013365 27.59580960 7.15120996
-0.00039970 -0.00099352 0.00097939
-0.00965190 0.00200276 0.00989591
1.28708436 28.87387196 9.09332567
0.00018169 0.00059554 0.00001114
-0.00492219 0.00359664 -0.00030082
10.53433001 -7.16363934 -0.61453270
0.00027936 0.00052807 0.00093026
0.00983833 -0.00486417 0.01197670
8.37078056 -7.51088902 -2.44483392
-0.00048203 -0.00048478 0.00053741
-0.00856938 -0.00456172 -0.00512129
-7.12703007 0.10419496 6.87327447
-0.00018993 -0.00041066 0.00039504
0.01295869 -0.00952930 0.01917809
-10.23616676 0.51131763 7.20427739
-0.00045734 0.00075395 -0.00011621
0.03672669 -0.00947080 -0.01288686
21.12344368 11.08051442 10.44388271
-0.00086659 0.00066894 -0.00003321
0.00048986 -0.00662408 -0.00701309
20.37255691 12.62482222 8.21400412
-0.00019753 0.00033848 -0.00074949
0.00549095 0.03079398 -0.01349036
-0.87444546 -3.30017083 -26.42942271
0.00022530 -0.00052836 -0.00057965
-0.02789174 0.00842468 -0.03286364
-3.38318912 -1.96512137 -26.44616860
0.00100599 0.00026498 -0.00034080
-0.01048254 0.00409911 -0.00241769
-13.49500172 7.01195490 9.48095523
0.00038363 -0.00087877 0.00055079
-0.00961196 -0.00027677 -0.00308051
-15.31809039 7.36325545 7.25225423
0.00056773 0.00000177 0.00036426
-0.00206488 0.00975978 0.00170121
-11.37520798 7.83765703 -2.15267592
-0.00028011 -0.00078623 0.00118759
-0.00198381 -0.00865680 -0.00103397
-8.86271346 8.12967272 -3.52135211
0.00007116 -0.00008607 -0.00010464
0.00226356 -0.00171397 0.00659066
-1.09628015 -16.70318234 22.59424783
0.00044273 0.00088663 -0.00058886
0.01873049 -0.02159823 -0.00794187
-3.40767240 -15.58267860 23.58639901
-0.00114526 0.00026492 0.00051919
-0.04876533 -0.00572044 0.01574863
-2.82421980 6.29205253 -7.90763871
-0.00036444 -0.00062695 0.00033342
0.00234593 -0.00502509 -0.01361773
-4.46301214 6.58159043 -5.59851744
0.00102657 -0.00029299 0.00088509
-0.00493857 0.00524916 0.00404156
-21.79393782 29.82063548 3.11826883
-0.00080763 -0.00000128 -0.00063403
0.00004975 -0.00871468 -0.01617969
-21.36879606 30.96723206 5.56037830
-0.00070442 0.00054583 0.00048417
0.01492410 -0.00037369 -0.00216068
6.98634269 -0.07490757 5.96811835
0.00050649 -0.00113893 -0.00052099
-0.00438430 -0.00168570 -0.01637205
7.21948606 2.23155335 7.87585182
-0.00010631 0.00012621 0.00076999
-0.00437431 0.00845652 -0.00310152
6.92239741 12.65613254 -12.99297136
-0.00049898 -0.00041404 0.00056877
0.01731520 0.01554965 -0.00493298
4.89038166 11.92089613 -15.02761053
0.00087325 0.00016204 0.00027785
0.02590724 -0.01886441 0.04803160
14.21873919 3.92688326 -2.21493536
-0.00019824 0.00028580 0.00085833
0.00748456 -0.00639798 -0.00189304
14.78045910 1.12066864 -1.47206653
0.00005308 0.00083501 0.00087293
0.01186608 0.02630481 -0.00453335
-2.94045302 12.32375189 -0.11192042
-0.00046929 -0.00086158 0.00009471
0.00144732 0.00408199 -0.01226849
-5.55700072 12.92430106 0.73036733
-0.00047744 -0.00022039 -0.00009661
-0.00291024 0.00422191 -0.01970025
3.21001074 11.54426244 2.61416334
-0.00112977 -0.00000760 -0.00111095
0.01488256 0.00027973 0.00392441
6.09899712 11.40835664 3.04181654
-0.00003679 0.00015602 0.00009143
0.03170399 -0.02031355 0.00631301
25.18937791 -12.60342876 -8.46353731
-0.00002694 -0.00087428 -0.00000838
0.00736081 -0.01137680 0.00569612
26.39445957 -11.44167993 -11.24515026
-0.00032396 0.00030322 -0.00134863
-0.00010229 -0.01130898 0.00423274
15.63177001 -2.85465944 0.52205136
0.00080298 0.00076156 0.00065724
0.00764403 -0.01986155 -0.01967890
16.94558137 -5.42309297 -0.72677484
-0.00015589 0.00020902 -0.00023595
-0.00466391 0.03347662 0.00534739
12.07231311 8.03758984 11.50181442
-0.00061045 0.00072600 0.00010763
-0.00179696 -0.00457228 0.01585186
13.38700428 9.59445963 9.59329727
0.00029688 -0.00059678 -0.00020411
0.01363614 -0.00463595 -0.00324817
-0.00901683 -14.58862067 17.43529572
0.00065326 -0.00005396 -0.00034896
-0.01246654 -0.00971383 -0.00869768
1.62834415 -12.65158000 18.76212541
0.00086268 -0.00018909 0.00055759
0.00847603 -0.01449697 -0.01781591
-3.89611143 -1.86886573 -12.75031876
0.00067607 0.00096858 0.00004782
0.00395563 0.00562568 -0.00415816
-2.90214379 -1.76302426 -15.48251240
0.00133480 -0.00130943 0.00030984
-0.00638149 0.01678618 0.01188196
14.79426194 -8.08543288 -10.60835298
-0.00011255 0.00028735 -0.00075226
-0.00218087 0.00373628 0.01615121
16.29385424 -6.21051565 -8.95134996
0.00094657 0.00058715 -0.00032117
0.00785374 0.00486259 -0.00553694
7.02589671 -5.80989418 8.39702145
0.00041189 0.00043123 0.00072389
0.00588222 -0.00956164 0.01556481
9.75028951 -6.50900576 7.83475916
-0.00007813 -0.00032446 0.00087269
-0.00826174 -0.00736725 0.00914699
-21.34471506 2.08999105 21.08352113
0.00150951 0.00039491 0.00031644
-0.00609657 -0.00573167 -0.02301438
-22.41471894 1.43248567 23.83358581
0.00007962 -0.00042862 -0.00009937
0.01367732 0.00413628 -0.01867096
26.82928909 -2.92145451 -6.77863622
0.00023516 0.00030765 -0.00046967
0.00411968 0.00317877 0.00049205
25.40320926 -1.46683944 -8.90512288
0.00058174 0.00019694 -0.00022432
0.00031508 0.01724766 -0.00452829
10.03043606 -15.63117831 -7.90543023
0.00003582 0.00081598 -0.00019911
-0.00448752 -0.01342352 0.01287072
9.38713280 -12.81364080 -7.10154863
-0.00034604 0.00019955 -0.00057791
-0.00715433 -0.00348935 0.00041457
-5.83905356 -11.27608772 18.24618272
-0.00003125 -0.00039436 -0.00043677
-0.00946775 -0.01433979 -0.00904758
-6.79114120 -11.20988950 15.54287159
0.00033939 0.00042538 0.00005739
-0.00363152 -0.00274196 -0.00271841
8.57079279 1.37831957 -29.54047729
0.00074155 0.00100123 0.00018754
0.00012140 0.01105344 0.00422844
6.02634759 2.51853690 -30.13564934
-0.00043998 -0.00066046 -0.00049076
-0.01922120 -0.00192621 -0.00700099
12.53590289 15.03479166 14.61873140
-0.00020732 0.00050265 0.00059949
0.04952235 -0.00983012 -0.01767479
11.38704452 16.15662836 17.23675012
0.00063304 0.00036396 -0.00019532
-0.00558526 -0.01355252 -0.04363235
29.19898140 5.09786109 -4.78348047
-0.00077174 0.00075704 -0.00047263
-0.00258803 -0.00261669 -0.00302222
27.07677997 6.91601101 -3.78873968
-0.00011476 0.00043422 -0.00029916
-0.00991366 -0.00074103 -0.00600407
-9.95403259 4.99158028 6.49156709
-0.00000787 0.00026281 -0.00020936
0.00332413 0.00654763 0.00258845
-8.82687610 13.36823850 2.60113066
-0.00013557 0.00003269 0.00002747
-0.00020369 -0.00413193 0.00285396
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09554378
0.30731934
409.48761094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3943777418 (a.u.)
total exchange computation time: 2.6534590721 s
-154.1775604052
-931.40650498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3940677637 (a.u.)
total exchange computation time: 2.6570689678 s
-154.1809062269
Anderson extrapolation: theta=1.3437211526 (1.3437211526)
-931.40673506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3935652352 (a.u.)
total exchange computation time: 2.6546080112 s
-154.1858789674
Anderson extrapolation: theta=0.0501987729 (0.0501987729)
-931.40687296
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3934687345 (a.u.)
total exchange computation time: 2.6541461945 s
-154.1865706581
Anderson extrapolation: theta=1.8916947371 (1.8916947371)
-931.40687804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3932596467 (a.u.)
total exchange computation time: 2.6557362080 s
-154.1879807918
Anderson extrapolation: theta=0.2088593877 (0.2088593877)
-931.40688316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3932051492 (a.u.)
total exchange computation time: 2.6533069611 s
-154.1882719560
Anderson extrapolation: theta=1.8864223481 (1.8864223481)
-931.40688409
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3931165175 (a.u.)
total exchange computation time: 2.6532609463 s
-154.1886584253
Anderson extrapolation: theta=0.2758384853 (0.2758384853)
-931.40688528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3931076056 (a.u.)
total exchange computation time: 2.6529541016 s
-154.1886078129
Anderson extrapolation: theta=1.3263958327 (1.3263958327)
-931.40688557
-118.008099 68.396264 97.802222
559.633305 1031.769528 -409.374216
441.625206 1100.165792 -311.571995
1225.754748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3931081744 (a.u.)
total exchange computation time: 2.6519331932 s
679.26324091
-1084.33274380
89.74807143
-388.78694816
-174.90539799
78.58336123
551.60419304
0.00000000
-931.40688578
4.07518449 -31.38581060 -2.20871589
-0.00001615 -0.00041851 -0.00002027
-0.01729765 0.00596487 -0.01546701
-11.56087539 -1.47378883 -9.35719352
-0.00030421 0.00019829 -0.00023260
-0.02046267 -0.01898577 -0.01004729
-37.53044817 2.40134612 0.24537756
-0.00001777 0.00012139 -0.00007620
0.00775963 0.03761876 -0.03744282
-11.76269869 -4.20583645 4.04112364
-0.00007009 0.00000391 0.00017524
0.03348886 -0.00886280 -0.01757082
4.04278648 -4.08506326 8.83706251
-0.00021713 -0.00013669 -0.00049733
-0.00057661 0.02709205 -0.00221437
-32.69902074 -0.31005023 -0.00355208
-0.00057991 0.00006775 0.00045822
-0.00034931 0.03921426 0.00999717
14.28890367 12.47475921 -13.55497613
0.00012176 0.00000298 0.00016524
0.04655925 -0.00261270 0.03130392
-7.75234426 6.08973198 2.69074166
0.00000798 -0.00005207 -0.00003133
0.01106754 -0.02353798 0.00345330
7.27398067 12.20076852 -6.11813613
-0.00019342 -0.00026923 -0.00033806
0.01851488 0.02143924 -0.02546506
8.80978076 9.92396533 -19.09649690
0.00006720 -0.00015205 -0.00020589
0.02690806 -0.01630292 -0.00740558
23.17997528 17.33388215 -2.36486085
0.00002818 0.00008544 -0.00025649
-0.01575579 0.02281531 0.00385605
2.08204959 16.84230186 -19.66973742
-0.00002973 0.00010167 -0.00010710
0.00890083 0.00446677 0.04972507
14.00112114 -0.91528911 -5.81178475
0.00011018 0.00015835 0.00003163
-0.00407314 -0.01909912 0.02482117
-16.07061693 -1.39888262 3.22412679
-0.00019655 -0.00015209 -0.00009201
-0.04292854 -0.01247199 -0.00203195
-16.14252509 -2.25972610 18.77858003
0.00039306 -0.00035988 -0.00012345
0.00713287 0.00580339 0.02138128
0.46727461 2.13002589 -4.69112934
-0.00015626 0.00011646 0.00023406
0.01089911 -0.00880636 0.00068310
22.73707467 -7.08808227 -8.80770009
-0.00002221 -0.00003923 -0.00000599
0.01869488 -0.02018939 -0.00594375
-0.75180279 -6.35586700 7.29692238
0.00005277 -0.00016495 -0.00000480
-0.01726614 -0.00742656 0.00753539
-1.76482464 -1.41189670 -19.35122396
-0.00018235 -0.00009807 -0.00006382
-0.03520404 0.02946685 0.01142417
3.13814758 1.64927233 -9.24099653
-0.00009915 -0.00026263 0.00011985
0.01922947 0.02110253 -0.03961542
-3.63525936 17.72401636 12.33056618
0.00018306 0.00012026 0.00008126
0.01950457 -0.01556200 -0.00503992
-3.88292445 5.13767130 -11.22974068
-0.00011724 0.00024904 -0.00018864
0.04662501 -0.00531812 0.01123495
-7.88107001 2.73434210 -8.88725097
-0.00005144 -0.00015896 0.00014064
-0.04396729 -0.01215286 0.01273079
2.47805916 27.52406595 8.90492169
0.00020027 0.00005831 0.00022711
0.00313448 -0.00646456 0.00487967
9.45903606 -6.25252333 -1.75029026
-0.00034917 -0.00000616 0.00005133
0.00146025 0.00865721 -0.00167188
-8.65944373 0.74053991 6.16577685
0.00005362 -0.00014853 0.00026025
-0.05145138 0.01190605 -0.00436663
20.49762611 10.91820152 8.72097147
0.00018163 0.00010990 -0.00004949
-0.00210086 -0.02280276 0.01263261
-1.98641283 -2.19631744 -27.60417711
0.00001961 -0.00007338 -0.00009084
0.02450051 -0.02115141 0.03001377
-14.20676086 6.16108826 8.02427344
0.00021434 0.00008073 0.00029428
0.01872813 -0.01361463 0.00267257
-9.65840152 7.22339356 -2.08186210
-0.00030950 -0.00003284 0.00046085
-0.00097930 0.00902997 -0.01109319
-1.76901842 -15.14230065 23.16534225
0.00012781 0.00026682 -0.00055307
0.01049884 0.02644339 -0.00527125
-2.74536197 6.30137651 -6.09723922
-0.00026327 -0.00008705 0.00013290
0.01214846 -0.00883528 0.00857201
-20.35084031 30.23598968 4.18089451
-0.00022373 -0.00069555 0.00007006
-0.01825458 0.02060497 0.02615984
7.73776874 0.54254217 7.51169760
0.00010615 0.00060593 -0.00018057
0.01687295 -0.00570927 0.02197432
5.79021991 11.27447457 -13.40656868
0.00007782 -0.00055616 0.00001306
-0.03677639 -0.00633052 -0.05922866
15.60505248 2.80203465 -1.68733427
0.00012442 0.00009822 0.00027306
-0.01774814 -0.00720398 0.00886168
-4.45704444 13.09780105 -0.79638651
0.00001800 -0.00036998 0.00002344
0.00173884 -0.00924443 0.02305760
4.79274941 12.53210345 2.57280418
0.00014429 0.00024216 -0.00040841
-0.05387518 0.01615241 0.00270210
25.08087408 -11.49097107 -9.87367951
-0.00019372 0.00015821 0.00026758
-0.01696249 0.01888467 0.00390507
16.84304990 -3.50293641 -0.75511248
0.00032297 0.00027756 -0.00012729
-0.00507130 -0.01343839 0.01727527
13.41714301 7.86606435 10.26448383
0.00052207 -0.00032094 0.00002132
-0.00674984 -0.00150841 -0.01237317
1.73020607 -14.05856309 17.52214056
0.00016512 0.00005590 -0.00006689
0.01495571 0.03305716 0.02460709
-3.69919894 -0.69040696 -14.17239326
0.00014706 0.00006900 0.00021113
0.00150047 -0.02249118 -0.01292107
14.98557404 -7.52321911 -8.83449279
-0.00016802 -0.00024968 0.00012492
0.00977963 -0.02507507 -0.02562057
8.37124216 -7.00644487 8.97263340
0.00008955 0.00034859 -0.00001081
0.00487241 0.03059784 -0.01560149
-21.10275033 2.36056188 22.84325865
-0.00004362 0.00015762 0.00005228
-0.00718262 0.00411934 0.04226368
25.71802180 -3.10932525 -8.22248127
0.00008542 0.00017471 -0.00009739
0.00410618 -0.02338812 0.01007676
9.91531384 -13.92802067 -8.46103278
0.00008465 -0.00009606 -0.00034107
0.00035945 0.01698054 -0.01465889
-6.70916283 -12.35543636 16.97461867
0.00014337 0.00030560 0.00005449
0.01102793 0.02156486 0.00957890
7.58023910 2.92487425 -29.31845121
-0.00042650 -0.00059472 -0.00004203
0.02273568 -0.00484241 0.00258042
11.07489975 15.68033141 15.39284273
-0.00007565 0.00033930 0.00008554
-0.07157168 0.03016383 0.07206769
28.77613910 6.33376811 -3.48186123
0.00025148 0.00020436 -0.00000677
0.00947025 0.00297071 0.01648892
5.29427973 -32.00005601 -3.41038694
-0.00015113 -0.00068143 -0.00012780
0.00458416 -0.00168954 -0.01497651
4.84789219 -31.48971586 -0.57770927
0.00009150 -0.00082527 -0.00012214
0.00150038 -0.00217195 0.01917008
-12.14568061 -3.26554617 -9.24977044
-0.00034890 0.00023923 -0.00059275
0.00456231 0.02458618 -0.00670276
-12.23059547 -0.66857836 -10.89085749
0.00072577 0.00062081 0.00012390
0.00430193 -0.01484548 0.01164108
-38.94524100 2.28930456 1.34134791
0.00000076 0.00061097 0.00019970
-0.01338310 -0.00330452 0.00766233
-37.92531938 3.90221528 -0.90203355
0.00027181 -0.00042300 0.00047846
0.00930781 -0.02327224 0.01616333
-10.70879515 -5.57803770 3.13885455
-0.00021173 0.00042433 -0.00005435
-0.02189546 0.02564214 0.02346896
-10.58067519 -2.75405248 4.12190405
0.00018829 -0.00062173 0.00078114
-0.01429407 -0.01332083 0.00105446
4.21546319 -2.25299529 8.35481127
-0.00050148 -0.00035260 0.00024822
-0.00196762 -0.03503310 0.01246698
3.64213397 -4.10018079 10.66127571
-0.00038767 -0.00062039 -0.00024972
0.00910130 0.00470487 -0.01207635
-34.30237593 -1.15445229 0.13403744
-0.00107798 0.00034427 0.00036673
-0.00195390 0.00184727 0.00056074
-33.11802940 1.48821688 0.53158209
-0.00053450 0.00081157 -0.00084225
0.00267086 -0.04217391 -0.01218360
13.53440006 12.93849526 -15.04772248
-0.00108895 0.00076665 0.00011400
-0.03309605 0.01730554 -0.05107444
16.07037659 12.56372500 -14.07903981
-0.00163053 -0.00020345 -0.00041380
-0.00898766 -0.00824265 0.01152042
-8.23106727 7.61042372 1.84770564
0.00087850 -0.00002302 0.00007342
-0.00096251 0.00343499 -0.01379526
-7.32097603 4.81653162 1.36352290
-0.00035463 0.00073439 0.00117960
-0.00665499 0.01692896 0.01164754
6.22823270 12.44193086 -7.65743091
0.00016054 -0.00013249 -0.00052399
0.00967185 -0.00626628 0.02085656
8.78099750 13.40605573 -6.42136798
-0.00038219 -0.00004959 0.00063623
-0.01947392 -0.00952555 0.00252518
8.74549768 8.38530275 -20.10213907
0.00082600 -0.00002660 0.00051482
-0.00177714 0.00662255 0.00508025
10.58294180 10.56754131 -19.30240008
0.00003299 -0.00104993 0.00053841
-0.02304350 0.00083696 0.00300278
24.13454260 15.84746168 -2.76252900
0.00037264 -0.00009293 -0.00011878
0.01572311 -0.01606496 -0.00828463
24.09082012 18.79943067 -2.97689511
-0.00041756 0.00009293 -0.00048751
0.01868462 -0.01002431 0.00666998
1.59058373 16.98683553 -21.37156430
-0.00006111 -0.00041983 0.00096659
-0.00152532 -0.00518939 -0.03556206
3.49649877 15.66070783 -19.42611369
-0.00102990 0.00032749 0.00003011
-0.01027073 0.00427601 -0.00883671
12.94278862 -1.76759665 -7.04953117
0.00051115 -0.00083241 -0.00004805
-0.00022807 0.00380907 -0.00286288
13.01527238 -1.01693436 -4.24895042
-0.00096987 -0.00041515 -0.00119315
0.00833553 0.00360074 -0.00995406
-17.91597351 -1.88558466 3.01529882
-0.00024326 0.00025405 0.00111853
0.04373886 -0.00030652 0.00208147
-15.01469368 -2.84098826 2.77017043
-0.00004081 -0.00037250 0.00042946
-0.00444813 0.00082765 0.00943460
-16.46413313 -0.59620089 19.59276659
0.00110625 0.00060547 -0.00070802
0.01269135 -0.01846776 -0.00489539
-14.89178849 -3.19234324 19.85337417
0.00050292 0.00006542 -0.00011465
-0.02092061 0.01411436 -0.01835613
-0.27614181 0.46387501 -5.00302887
0.00057463 -0.00059378 -0.00031474
-0.00621397 -0.00444061 0.00015250
-0.93202096 3.22314443 -5.05346989
0.00079334 0.00063389 -0.00021384
-0.00942410 0.01613621 -0.00197687
23.77642963 -8.63624097 -9.24122117
0.00076905 0.00109098 0.00014549
-0.01620940 0.01107011 0.00650310
23.98077640 -5.83742969 -8.25515511
-0.00020636 -0.00043573 0.00031618
-0.00824877 0.00301448 -0.00317685
-0.36077662 -6.27961026 5.52930331
-0.00117778 0.00022706 -0.00003070
0.01166378 0.00358581 -0.00576845
0.81042491 -6.35792346 8.23800985
-0.00001846 0.00060915 -0.00029383
0.00342609 0.00836911 -0.00657303
-0.29705416 -2.36451146 -19.53239453
0.00048543 0.00034980 0.00002689
0.02461432 -0.02824318 -0.00569910
-3.11453669 -2.07075393 -20.41503037
0.00055473 -0.00010793 0.00033618
0.01151566 -0.00609303 -0.00564212
2.87702040 3.20148772 -10.26494507
0.00003025 0.00012111 0.00035069
-0.00074711 -0.01865045 -0.00051618
1.96282097 1.70677193 -7.91531033
-0.00035663 0.00046991 0.00005244
-0.02440415 0.01143238 0.03357595
-2.09060232 16.56100288 12.35387470
0.00099900 -0.00075674 0.00031754
-0.01902313 0.01700336 0.00065395
-3.52554447 18.48761745 13.98561491
0.00110011 0.00010383 -0.00032580
0.00810254 0.01048861 0.00531043
-5.39365074 6.02309489 -11.09200254
-0.00061798 0.00104323 -0.00023841
-0.04204029 0.02280430 -0.00826209
-4.09699783 3.72389435 -12.31224436
0.00100207 -0.00106605 -0.00069723
-0.00094100 -0.01111638 -0.01152336
-7.77175605 1.32714622 -7.64685956
-0.00036605 -0.00026976 -0.00101790
-0.00470010 0.01505044 -0.00527117
-6.23805617 3.09078303 -9.33369213
0.00102548 -0.00057232 0.00059687
0.04456468 0.01010964 -0.00962206
3.04384234 27.58096815 7.16620412
-0.00043448 -0.00098453 0.00100588
-0.00737246 0.00239979 0.00306717
1.28965888 28.88291529 9.09348347
0.00016609 0.00060508 0.00000913
-0.00271349 0.00107055 -0.00068043
10.53882182 -7.15586734 -0.60021182
0.00031224 0.00051295 0.00097150
0.00626066 -0.00253598 0.00821110
8.36328752 -7.51830049 -2.43692966
-0.00051380 -0.00050087 0.00051889
-0.00698369 -0.00331406 -0.00394639
-7.12948194 0.09774300 6.87978772
-0.00013726 -0.00044955 0.00047388
0.01282361 -0.00950812 0.01941621
-10.24190146 0.52233661 7.20213935
-0.00030661 0.00071427 -0.00016842
0.03705784 -0.00995148 -0.01267242
21.11045979 11.09034557 10.44316965
-0.00086282 0.00064237 -0.00005765
0.00135527 -0.00638508 -0.00495066
20.36976221 12.63084306 8.20234835
-0.00017447 0.00045569 -0.00080162
0.00579902 0.02658230 -0.01202526
-0.87192059 -3.30783814 -26.43912452
0.00011094 -0.00049375 -0.00071320
-0.02808826 0.00851746 -0.03251203
-3.36842051 -1.96102112 -26.45135463
0.00095263 0.00028357 -0.00034208
-0.01563785 0.00500119 0.00179093
-13.48954185 6.99876486 9.48912276
0.00034472 -0.00087793 0.00053994
-0.00943189 0.00068963 -0.00223456
-15.30963777 7.36358112 7.25777025
0.00055641 0.00004505 0.00036989
-0.00347548 0.01142484 0.00105431
-11.37947043 7.82559828 -2.13489379
-0.00029175 -0.00081909 0.00118155
-0.00371196 -0.00742677 -0.00192078
-8.86157663 8.12832908 -3.52271980
0.00007573 -0.00009558 -0.00007233
-0.00002792 -0.00293975 0.00922768
-1.08906530 -16.69054479 22.58517156
0.00051915 0.00079214 -0.00062291
0.01868143 -0.02465377 -0.00872743
-3.42634555 -15.57888011 23.59466946
-0.00131365 0.00024718 0.00057553
-0.03366492 -0.00296047 0.01183039
-2.82961452 6.28249429 -7.90305471
-0.00035622 -0.00064726 0.00027512
0.00167602 -0.00491436 -0.01491798
-4.44776496 6.57735641 -5.58511729
0.00099025 -0.00026926 0.00090542
-0.01284045 0.00636689 0.00591077
-21.80605069 29.82034926 3.10826251
-0.00080057 -0.00003461 -0.00069365
0.00340508 -0.00760206 -0.01300351
-21.37890507 30.97540813 5.56757467
-0.00063655 0.00053805 0.00046465
0.01829719 -0.00343689 -0.00739362
6.99380568 -0.09204320 5.95980178
0.00049124 -0.00113941 -0.00057910
-0.00307890 0.00145328 -0.01207373
7.21775738 2.23370565 7.88730669
-0.00012635 0.00016283 0.00075527
-0.00543536 0.00946918 -0.00410605
6.91544323 12.65039846 -12.98459099
-0.00042682 -0.00034992 0.00055013
0.01800922 0.01583418 -0.00419250
4.90427431 11.92274862 -15.02197101
0.00097553 0.00008486 0.00046971
0.02415692 -0.01891349 0.04588724
14.21599495 3.93097428 -2.20211840
-0.00016545 0.00025865 0.00085098
0.00856481 -0.00689382 -0.00170581
14.78161889 1.13399982 -1.45911145
0.00009873 0.00093452 0.00085455
0.01048012 0.02240655 -0.00446738
-2.94744809 12.31095323 -0.11087568
-0.00046132 -0.00084596 0.00004568
0.00245449 0.00356567 -0.01173398
-5.56425157 12.92112461 0.72831448
-0.00048779 -0.00020284 -0.00017845
-0.00215217 0.00436858 -0.02035953
3.19352017 11.54415706 2.59761933
-0.00105447 0.00000066 -0.00109402
0.02197750 0.00376127 0.00436561
6.09941679 11.41007440 3.04338146
0.00008974 0.00007354 0.00011668
0.03023397 -0.02005655 0.00604814
25.18919942 -12.61689164 -8.46348840
0.00000259 -0.00091571 0.00000863
0.00709089 -0.00890375 0.00262617
26.38959698 -11.43747819 -11.26525004
-0.00033109 0.00025607 -0.00132333
-0.00338763 -0.01177276 0.00815117
15.64404889 -2.84384459 0.53130696
0.00083663 0.00067852 0.00057335
0.00882795 -0.02078909 -0.02138813
16.94310004 -5.41893179 -0.73015018
-0.00017471 0.00034594 -0.00021371
-0.00454569 0.03354668 0.00553814
12.06310136 8.04833968 11.50391468
-0.00060769 0.00070521 0.00016398
0.00314670 -0.00560247 0.01173063
13.39187528 9.58536584 9.59013609
0.00035340 -0.00061342 -0.00021864
0.01403220 -0.00350732 -0.00386675
0.00039999 -14.58972770 17.42979479
0.00059624 -0.00009440 -0.00038386
-0.01544124 -0.01008277 -0.00838783
1.64154406 -12.65486056 18.76994330
0.00089571 -0.00024995 0.00048288
0.00769110 -0.01529383 -0.01875566
-3.88584911 -1.85416458 -12.74972890
0.00069031 0.00098505 0.00003959
0.00301408 0.00243614 0.00013140
-2.88231730 -1.78215137 -15.47750062
0.00130130 -0.00123096 0.00036822
-0.01001796 0.02162659 0.01669147
14.79250690 -8.08100813 -10.61914203
-0.00012122 0.00030409 -0.00067814
-0.00206419 0.00445893 0.02013504
16.30829353 -6.20155939 -8.95633711
0.00096718 0.00059540 -0.00034260
0.00223145 -0.00082317 -0.00495421
7.03225536 -5.80371866 8.40835676
0.00043317 0.00039518 0.00078481
0.00453308 -0.00808587 0.01425662
9.74886433 -6.51409841 7.84812981
-0.00010361 -0.00035078 0.00090246
-0.00420789 -0.00551820 0.00542384
-21.32225925 2.09573903 21.08756249
0.00148261 0.00036954 0.00021511
-0.00707264 -0.00668701 -0.02658866
-22.41310545 1.42618307 23.83152308
0.00013578 -0.00041065 -0.00017747
0.01381327 0.00466402 -0.01955871
26.83294270 -2.91674233 -6.78566617
0.00025392 0.00032025 -0.00046518
0.00506602 0.00298812 0.00170315
25.41194509 -1.46335678 -8.90862638
0.00058268 0.00026715 -0.00024309
0.00014257 0.01711877 -0.00466096
10.03083578 -15.61934990 -7.90802244
0.00001861 0.00074745 -0.00014219
-0.00393409 -0.02012232 0.01498884
9.38172295 -12.81075453 -7.11020454
-0.00037468 0.00018486 -0.00057762
-0.00686625 -0.00370030 -0.00027514
-5.83981247 -11.28244260 18.23935398
-0.00006512 -0.00044678 -0.00046626
-0.00710989 -0.01131879 -0.00539010
-6.78616157 -11.20359278 15.54364907
0.00032425 0.00041366 0.00004661
-0.00378114 -0.00299845 -0.00255851
8.58191974 1.39367676 -29.53753462
0.00074557 0.00103707 0.00020274
0.00184788 0.00648937 0.00321161
6.01915883 2.50857095 -30.14322522
-0.00051352 -0.00066917 -0.00051732
-0.01677693 -0.00233550 -0.00600437
12.53431066 15.04203011 14.62718218
-0.00000077 0.00045984 0.00052342
0.05158427 -0.01112510 -0.01956288
11.39636903 16.16167251 17.23248334
0.00060885 0.00030937 -0.00037109
-0.00625862 -0.01316864 -0.04240990
29.18732599 5.10913652 -4.79066248
-0.00077973 0.00074328 -0.00048687
-0.00132218 -0.00411772 -0.00395000
27.07475472 6.92250157 -3.79341104
-0.00014856 0.00042959 -0.00032128
-0.00663105 -0.00152411 -0.00482426
-9.95414168 4.99554007 6.48843365
-0.00000667 0.00026512 -0.00020839
0.00338653 0.00632774 0.00280062
-8.82891001 13.36872162 2.60154762
-0.00013561 0.00003173 0.00002814
-0.00011273 -0.00411414 0.00293819
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09559796
0.31128782
414.77541917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3951035281 (a.u.)
total exchange computation time: 2.7012310028 s
-154.1798862320
-931.40968431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3948683944 (a.u.)
total exchange computation time: 2.7006950378 s
-154.1828059154
Anderson extrapolation: theta=1.3697575847 (1.3697575847)
-931.40990869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3944844658 (a.u.)
total exchange computation time: 2.7011759281 s
-154.1871864473
Anderson extrapolation: theta=0.0603783032 (0.0603783032)
-931.41004993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3944115365 (a.u.)
total exchange computation time: 2.7047281265 s
-154.1878015692
Anderson extrapolation: theta=2.2265621096 (2.0000000000)
-931.41005743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3942538156 (a.u.)
total exchange computation time: 2.7002930641 s
-154.1890607512
Anderson extrapolation: theta=0.3637661092 (0.3637661092)
-931.41006745
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3942024758 (a.u.)
total exchange computation time: 2.7013869286 s
-154.1894149660
Anderson extrapolation: theta=1.2437117953 (1.2437117953)
-931.41007035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3941615151 (a.u.)
total exchange computation time: 2.6998569965 s
-154.1896330534
Anderson extrapolation: theta=0.4566386413 (0.4566386413)
-931.41007312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3941661948 (a.u.)
total exchange computation time: 2.7003929615 s
-154.1895205811
Anderson extrapolation: theta=0.8618694617 (0.8618694617)
-931.41007416
-118.034390 68.436178 97.779646
559.669580 1031.777573 -409.348451
441.635190 1100.213751 -311.568805
1225.800579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3941874735 (a.u.)
total exchange computation time: 2.6809668541 s
679.28835864
-1084.37292349
89.73779814
-388.75991962
-174.90920100
78.60303477
551.60419304
0.00000000
-931.41007481
4.07487555 -31.39206521 -2.20907959
-0.00002493 -0.00041557 -0.00002840
-0.01683775 0.00545594 -0.01615975
-11.56551743 -1.47088771 -9.36072135
-0.00031426 0.00018828 -0.00023698
-0.01861139 -0.01992917 -0.00698078
-37.53068483 2.40331212 0.24409014
-0.00001389 0.00013988 -0.00009455
0.00733814 0.03427351 -0.03391658
-11.76362089 -4.20581198 4.04368447
-0.00005331 -0.00000082 0.00016633
0.03178614 -0.00951620 -0.01708671
4.03952729 -4.08700915 8.82959400
-0.00021761 -0.00012348 -0.00049773
-0.00129341 0.02428219 0.00066451
-32.70772078 -0.30888279 0.00335973
-0.00058064 0.00008800 0.00046337
-0.00246236 0.03956396 0.01004886
14.29090966 12.47479384 -13.55237680
0.00014192 0.00000213 0.00017989
0.03185488 -0.00070696 0.02567188
-7.75218194 6.08886015 2.69028509
0.00001328 -0.00006292 -0.00002769
0.00955537 -0.01864875 0.01068090
7.27115079 12.19681282 -6.12330524
-0.00018392 -0.00025834 -0.00035095
0.01844100 0.02089645 -0.02465100
8.81089256 9.92162171 -19.09961389
0.00008069 -0.00015993 -0.00020909
0.02556703 -0.01434276 -0.00501751
23.18033727 17.33525177 -2.36869337
0.00002029 0.00009634 -0.00025464
-0.01495846 0.01956245 0.00332889
2.08163800 16.84384419 -19.67115204
-0.00002574 0.00010479 -0.00007961
0.00660992 0.00765086 0.05713903
14.00275806 -0.91298750 -5.81121455
0.00010788 0.00014803 0.00004336
-0.00485586 -0.02103803 0.02078293
-16.07373079 -1.40121210 3.22273880
-0.00021803 -0.00015841 -0.00009280
-0.04061279 -0.01208565 -0.00105396
-16.13660166 -2.26510187 18.77681075
0.00039646 -0.00035599 -0.00011225
0.00608897 0.00931745 0.02216290
0.46497279 2.13173884 -4.68761586
-0.00015011 0.00011092 0.00023436
0.01299347 -0.01273362 0.00047973
22.73681367 -7.08874858 -8.80781289
-0.00001302 -0.00004921 -0.00000899
0.01704270 -0.01861979 -0.00572714
-0.75107778 -6.35836989 7.29687943
0.00004328 -0.00016876 -0.00000071
-0.01964483 -0.00739870 0.00838848
-1.76769573 -1.41325412 -19.35213724
-0.00019854 -0.00008294 -0.00005714
-0.02773964 0.02937902 0.01454801
3.13673457 1.64541430 -9.23935166
-0.00008977 -0.00025138 0.00009975
0.01723206 0.02263451 -0.03853465
-3.63243828 17.72576027 12.33176563
0.00019409 0.00011106 0.00007827
0.02338677 -0.02020698 -0.00660181
-3.88450321 5.14138640 -11.23252699
-0.00009503 0.00024537 -0.00018402
0.03976201 -0.00894191 0.00675486
-7.88201126 2.73191078 -8.88509227
-0.00007180 -0.00016393 0.00014577
-0.03519511 -0.00716888 0.00720433
2.48107532 27.52491567 8.90834720
0.00020071 0.00005558 0.00023163
-0.00144161 -0.00415968 0.01267247
9.45380413 -6.25258240 -1.74952674
-0.00034789 -0.00000268 0.00005121
0.00351184 0.00488118 0.00118733
-8.65883786 0.73835794 6.16966375
0.00002746 -0.00014233 0.00025788
-0.05028343 0.01218346 -0.00485067
20.50034238 10.91976210 8.72027780
0.00018022 0.00009936 -0.00004401
-0.00336660 -0.01820522 0.00870701
-1.98602417 -2.19749968 -27.60542390
0.00003348 -0.00008442 -0.00007667
0.02944053 -0.02178121 0.02508168
-14.20347354 6.16224666 8.02869800
0.00022419 0.00007309 0.00029554
0.01958364 -0.01606606 0.00220975
-9.66304786 7.22293582 -2.07499211
-0.00030895 -0.00002817 0.00045468
0.00313372 0.00914012 -0.01288727
-1.76706080 -15.13819631 23.15702582
0.00012941 0.00028026 -0.00055463
-0.00426993 0.02582214 -0.00080181
-2.74926414 6.30003665 -6.09521273
-0.00025480 -0.00009192 0.00013695
0.02078676 -0.01008602 0.00717811
-20.35426667 30.22563590 4.18204638
-0.00023473 -0.00068447 0.00008388
-0.02453849 0.02247437 0.02755158
7.73942604 0.55160903 7.50907379
0.00011468 0.00060195 -0.00017027
0.01630836 -0.00973816 0.01806751
5.79124528 11.26610781 -13.40660131
0.00005947 -0.00055925 -0.00001673
-0.03455407 -0.00570403 -0.05660247
15.60685029 2.80348019 -1.68320421
0.00011549 0.00009570 0.00027743
-0.01698650 -0.00260924 0.00814810
-4.45676779 13.09221570 -0.79594603
0.00001847 -0.00037457 0.00003524
0.00010699 -0.00862204 0.02285200
4.79470590 12.53579816 2.56668850
0.00011561 0.00024933 -0.00040691
-0.05763980 0.01172980 0.00312945
25.07790290 -11.48852500 -9.86965068
-0.00020143 0.00016742 0.00026941
-0.01304498 0.01691945 0.00320680
16.84787482 -3.49882486 -0.75695515
0.00032010 0.00027095 -0.00011812
-0.00605860 -0.01226481 0.01836108
13.42494800 7.86124436 10.26475588
0.00051724 -0.00032174 0.00001618
-0.01201669 -0.00156916 -0.00759276
1.73274062 -14.05759713 17.52123211
0.00017361 0.00007302 -0.00005419
0.01804258 0.03354588 0.02479792
-3.69698720 -0.68945870 -14.16927612
0.00014885 0.00005721 0.00020232
0.00546348 -0.02336152 -0.02133777
14.98309147 -7.52706104 -8.83271778
-0.00016153 -0.00026128 0.00011079
0.01544258 -0.02001997 -0.02935079
8.37260416 -7.00109795 8.97241102
0.00009118 0.00036322 -0.00001747
0.00147311 0.02627280 -0.01029377
-21.10343232 2.36294202 22.84420594
-0.00004712 0.00015991 0.00007479
-0.00642888 0.00479498 0.04525669
25.71931899 -3.10679481 -8.22390322
0.00008735 0.00016283 -0.00009253
0.00336966 -0.02279372 0.00881842
9.91658491 -13.92939609 -8.46620545
0.00008464 -0.00008571 -0.00034896
-0.00037271 0.02327327 -0.01598954
-6.70696967 -12.35076917 16.97547292
0.00014832 0.00031586 0.00005834
0.00820446 0.01832139 0.00541646
7.57392925 2.91593477 -29.31907174
-0.00041608 -0.00059590 -0.00004071
0.01779979 0.00023848 0.00256246
11.07348886 15.68553729 15.39440378
-0.00011241 0.00035474 0.00012223
-0.07136341 0.02988403 0.07059995
28.77994782 6.33684498 -3.48189919
0.00025519 0.00020645 0.00000157
0.00496243 0.00515040 0.01594687
5.29215330 -32.01032928 -3.41276287
-0.00013351 -0.00068766 -0.00018825
0.00403978 -0.00135891 -0.01461565
4.84931067 -31.50216145 -0.57895387
0.00009770 -0.00083373 -0.00004363
0.00153384 -0.00197051 0.01925694
-12.15077433 -3.26120428 -9.25886707
-0.00033065 0.00033910 -0.00062023
0.00437018 0.02429879 -0.00674877
-12.21957707 -0.65972112 -10.88864223
0.00074024 0.00056265 0.00016537
0.00278228 -0.01362595 0.00865870
-38.94563977 2.29836788 1.34457818
-0.00005162 0.00059726 0.00022951
-0.01225278 -0.00340929 0.00692941
-37.92095697 3.89515707 -0.89436131
0.00030816 -0.00051116 0.00053881
0.00848576 -0.01988110 0.01337618
-10.71264209 -5.57088706 3.13875850
-0.00030008 0.00052634 0.00004034
-0.02134903 0.02429282 0.02288220
-10.57828892 -2.76378665 4.13365350
0.00013206 -0.00067182 0.00078548
-0.01322988 -0.01119863 0.00106801
4.20788074 -2.25935786 8.35891653
-0.00050872 -0.00048984 0.00029696
-0.00157730 -0.03214312 0.01139285
3.63659775 -4.10934245 10.65715993
-0.00034980 -0.00060082 -0.00030184
0.00943900 0.00487399 -0.01343757
-34.31860548 -1.14923164 0.13955560
-0.00108148 0.00035457 0.00036886
0.00024039 0.00319278 0.00048288
-33.12596510 1.49909814 0.51857494
-0.00052350 0.00063615 -0.00089155
0.00271541 -0.04369900 -0.01194862
13.51705158 12.95052538 -15.04757759
-0.00121615 0.00083244 -0.00007752
-0.02916889 0.01489759 -0.04267547
16.04564322 12.56042073 -14.08489382
-0.00164516 -0.00023603 -0.00037289
0.00182548 -0.00770588 0.00850843
-8.21791932 7.61018363 1.84838420
0.00087337 -0.00000558 0.00001552
-0.00154469 0.00510317 -0.01454809
-7.32649945 4.82806622 1.38157380
-0.00037751 0.00079064 0.00121399
-0.00454401 0.01060756 0.00518711
6.23093712 12.43975146 -7.66465171
0.00019923 -0.00015801 -0.00043960
0.00927080 -0.00622595 0.02045410
8.77466786 13.40501998 -6.41174722
-0.00046066 -0.00008784 0.00064535
-0.01893359 -0.00919975 0.00194361
8.75783323 8.38510673 -20.09426109
0.00081678 -0.00000680 0.00053112
-0.00273814 0.00307020 0.00289793
10.58273047 10.55181793 -19.29423185
-0.00005669 -0.00104312 0.00055042
-0.02085231 0.00249877 0.00287556
24.14061404 15.84557545 -2.76456464
0.00043400 -0.00015360 -0.00015110
0.01430969 -0.01363255 -0.00753310
24.08512920 18.80051744 -2.98400332
-0.00033992 0.00005350 -0.00046032
0.01932428 -0.00927574 0.00663660
1.58962038 16.98037902 -21.35815522
-0.00007247 -0.00043960 0.00080430
-0.00403486 -0.00448513 -0.04387960
3.48073553 15.66575121 -19.42593287
-0.00106196 0.00033724 -0.00000413
-0.00542319 0.00049691 -0.00792256
12.95044894 -1.77996601 -7.05033961
0.00051381 -0.00081460 -0.00005830
0.00152984 0.00490611 -0.00215718
13.00097970 -1.02305122 -4.26715270
-0.00093777 -0.00039956 -0.00122638
0.00737889 0.00402959 -0.00631374
-17.91828207 -1.88178326 3.03214062
-0.00006673 0.00025114 0.00112538
0.04267120 -0.00111738 0.00126957
-15.01544214 -2.84655040 2.77690148
-0.00006070 -0.00036814 0.00046803
-0.00529004 0.00130479 0.00944192
-16.44715053 -0.58768477 19.58199635
0.00115847 0.00052446 -0.00073008
0.01287368 -0.02118805 -0.00590621
-14.88488573 -3.19092940 19.85109198
0.00041921 0.00012143 -0.00018840
-0.02005892 0.01330391 -0.01774895
-0.26771271 0.45483226 -5.00774532
0.00054937 -0.00060452 -0.00031307
-0.00615204 -0.00081767 0.00066638
-0.92040967 3.23314730 -5.05673806
0.00075014 0.00070038 -0.00022273
-0.01172021 0.01640935 -0.00237333
23.78746874 -8.61953702 -9.23883953
0.00070376 0.00112854 0.00017002
-0.01575479 0.00731393 0.00550434
23.97742825 -5.84387327 -8.25050980
-0.00023825 -0.00041876 0.00030483
-0.00736061 0.00529316 -0.00237852
-0.37808589 -6.27609450 5.52866606
-0.00112850 0.00024179 -0.00005679
0.01245888 0.00362594 -0.00700429
0.81025294 -6.34852983 8.23340101
-0.00000140 0.00064324 -0.00032023
0.00492500 0.00831999 -0.00635128
-0.28901839 -2.36012986 -19.53216578
0.00057938 0.00023875 0.00000414
0.02137192 -0.02611811 -0.00544023
-3.10586285 -2.07255961 -20.41016063
0.00059356 -0.00013692 0.00030626
0.00748933 -0.00809799 -0.00899975
2.87745131 3.20273279 -10.25970049
0.00002799 0.00004349 0.00034826
-0.00036124 -0.01934500 -0.00067366
1.95672375 1.71417096 -7.91349481
-0.00045315 0.00051544 0.00018713
-0.02284230 0.01085289 0.03235168
-2.07620032 16.55017288 12.35865778
0.00091330 -0.00068156 0.00031948
-0.02292672 0.01979799 0.00029595
-3.50879454 18.48949633 13.98089056
0.00113254 0.00014924 -0.00029942
0.00777403 0.01174106 0.00760412
-5.40420872 6.03944212 -11.09583189
-0.00077553 0.00112519 -0.00027529
-0.03508148 0.01731678 -0.00979221
-4.08199559 3.70756291 -12.32305585
0.00099808 -0.00109347 -0.00073144
-0.00101154 -0.00230442 -0.00522661
-7.77739079 1.32356094 -7.66228962
-0.00038552 -0.00021437 -0.00103321
-0.00483232 0.01206740 -0.00222002
-6.22130837 3.08250796 -9.32503393
0.00118980 -0.00053401 0.00056178
0.03587129 0.00864506 -0.00755654
3.03709920 27.56627377 7.18138625
-0.00045973 -0.00097414 0.00100352
-0.00498740 0.00268670 -0.00422288
1.29206710 28.89202423 9.09359958
0.00015954 0.00060419 0.00000561
-0.00049302 -0.00150246 -0.00104516
10.54369732 -7.14825077 -0.58538772
0.00033023 0.00050733 0.00099700
0.00254214 -0.00021726 0.00427076
8.35536648 -7.52591506 -2.42926726
-0.00053871 -0.00051143 0.00050540
-0.00520826 -0.00185439 -0.00265504
-7.13114789 0.09070832 6.88749091
-0.00008666 -0.00048762 0.00055277
0.01194619 -0.00912365 0.01920252
-10.24536501 0.53274571 7.19922467
-0.00015620 0.00067253 -0.00021880
0.03657042 -0.01048163 -0.01198598
21.09755897 11.09978540 10.44215318
-0.00085550 0.00061689 -0.00007340
0.00223107 -0.00608324 -0.00275894
20.36732292 12.63849304 8.18995560
-0.00014989 0.00055391 -0.00084704
0.00623015 0.02149635 -0.01021005
-0.87111714 -3.31498344 -26.45081886
-0.00000326 -0.00045954 -0.00084427
-0.02781542 0.00823090 -0.03164630
-3.35461027 -1.95661436 -26.45643089
0.00087859 0.00030586 -0.00032630
-0.02060479 0.00590916 0.00593143
-13.48466004 6.98561708 9.49715334
0.00030673 -0.00087310 0.00053281
-0.00916653 0.00167361 -0.00125653
-15.30139816 7.36460698 7.26335088
0.00053977 0.00009459 0.00037316
-0.00467075 0.01282559 0.00054851
-11.38396036 7.81308438 -2.11722938
-0.00031040 -0.00084697 0.00117190
-0.00541823 -0.00622340 -0.00280258
-8.86044151 8.12680528 -3.52352196
0.00007117 -0.00010974 -0.00002976
-0.00220470 -0.00398905 0.01161120
-1.08070554 -16.67941818 22.57556041
0.00059442 0.00068710 -0.00065934
0.01816329 -0.02676529 -0.00910522
-3.44708189 -15.57526306 23.60366494
-0.00142006 0.00024052 0.00061539
-0.01842390 -0.00030154 0.00768197
-2.83490652 6.27263486 -7.89938497
-0.00035080 -0.00066710 0.00021259
0.00097977 -0.00480019 -0.01569086
-4.43330473 6.57351260 -5.57135489
0.00092205 -0.00024101 0.00093348
-0.02054131 0.00746448 0.00782721
-21.81795486 29.81959715 3.09745926
-0.00077987 -0.00006343 -0.00074014
0.00672863 -0.00650653 -0.00975410
-21.38789270 30.98337356 5.57431791
-0.00055596 0.00051827 0.00042503
0.02115662 -0.00624631 -0.01200228
7.00107998 -0.10908977 5.95074525
0.00048142 -0.00112676 -0.00061920
-0.00172845 0.00473980 -0.00755156
7.21569559 2.23643829 7.89850992
-0.00015044 0.00020289 0.00073647
-0.00635849 0.01013919 -0.00509762
6.90959276 12.64563481 -12.97646755
-0.00035280 -0.00028592 0.00053421
0.01822276 0.01549550 -0.00360091
4.91964744 11.92344197 -15.01351923
0.00106943 0.00000835 0.00065056
0.02180767 -0.01854096 0.04264215
14.21377562 3.93464281 -2.18940598
-0.00012862 0.00022984 0.00084423
0.00946304 -0.00720749 -0.00159943
14.78342097 1.14870422 -1.44643016
0.00013800 0.00101660 0.00083676
0.00874174 0.01777245 -0.00423635
-2.95429274 12.29837310 -0.11055007
-0.00044911 -0.00083262 -0.00000095
0.00352524 0.00296429 -0.01109028
-5.57163431 12.91821590 0.72501386
-0.00049531 -0.00018483 -0.00026228
-0.00153244 0.00444466 -0.02067487
3.17837652 11.54428220 2.58134287
-0.00095208 0.00002201 -0.00107511
0.02814524 0.00669023 0.00489091
6.10168938 11.41056298 3.04531704
0.00020820 -0.00000595 0.00014002
0.02775065 -0.01885750 0.00537376
25.18945550 -12.63090020 -8.46327854
0.00003088 -0.00094656 0.00001274
0.00675713 -0.00619689 -0.00060988
26.38452678 -11.43399795 -11.28485027
-0.00035102 0.00020712 -0.00128249
-0.00636500 -0.01218624 0.01184443
15.65686881 -2.83430382 0.53925176
0.00087418 0.00059232 0.00048343
0.00955346 -0.02140670 -0.02262475
16.94034012 -5.41271466 -0.73318611
-0.00019293 0.00048164 -0.00019078
-0.00437373 0.03287918 0.00568735
12.05408246 8.05874617 11.50673387
-0.00058499 0.00068021 0.00020384
0.00796431 -0.00663744 0.00777792
13.39760626 9.57605711 9.58673793
0.00041142 -0.00062525 -0.00023569
0.01436866 -0.00228685 -0.00447704
0.00887049 -14.59145267 17.42377981
0.00052830 -0.00013591 -0.00041741
-0.01781838 -0.01023883 -0.00803493
1.65521532 -12.65907842 18.77661173
0.00092536 -0.00031298 0.00040530
0.00682352 -0.01556115 -0.01922019
-3.87540207 -1.83931412 -12.74913099
0.00070074 0.00098824 0.00004931
0.00209037 -0.00087457 0.00462415
-2.86310478 -1.79995307 -15.47146589
0.00125382 -0.00113399 0.00044440
-0.01322566 0.02584078 0.02060201
14.79062535 -8.07631012 -10.62869708
-0.00012957 0.00032323 -0.00058914
-0.00202462 0.00491002 0.02343085
16.32286957 -6.19265358 -8.96162788
0.00096581 0.00058155 -0.00036161
-0.00290278 -0.00595998 -0.00435124
7.03889183 -5.79803870 8.42056580
0.00044842 0.00036575 0.00084011
0.00292996 -0.00632010 0.01281173
9.74718126 -6.51952924 7.86183287
-0.00011161 -0.00036928 0.00091636
0.00029100 -0.00353830 0.00138222
-21.30023689 2.10107720 21.08997434
0.00145229 0.00034070 0.00010161
-0.00776853 -0.00743077 -0.02897138
-22.41064540 1.42016631 23.82826167
0.00019169 -0.00039110 -0.00025843
0.01355103 0.00490552 -0.02006969
26.83690678 -2.91184702 -6.79259175
0.00027593 0.00033201 -0.00045770
0.00570808 0.00277112 0.00195926
25.42068965 -1.45882496 -8.91241553
0.00058319 0.00033542 -0.00026206
0.00010718 0.01630206 -0.00462635
10.03099439 -15.60875472 -7.90969605
0.00000357 0.00065290 -0.00007704
-0.00342706 -0.02616129 0.01690452
9.37589229 -12.80809504 -7.11887731
-0.00040212 0.00016938 -0.00058014
-0.00656493 -0.00387866 -0.00095673
-5.84100711 -11.28949115 18.23219490
-0.00008865 -0.00048604 -0.00047988
-0.00440650 -0.00789890 -0.00127839
-6.78141368 -11.19747982 15.54426976
0.00030853 0.00040089 0.00003653
-0.00391573 -0.00325101 -0.00237111
8.59315993 1.40943166 -29.53439512
0.00075709 0.00105401 0.00021369
0.00379108 0.00180325 0.00215055
6.01094187 2.49846186 -30.15116908
-0.00057603 -0.00067933 -0.00053931
-0.01382209 -0.00263968 -0.00475619
12.53587983 15.04858675 14.63443403
0.00021022 0.00041353 0.00044158
0.05169739 -0.01154288 -0.02049935
11.40530999 16.16590961 17.22561742
0.00058224 0.00025701 -0.00053965
-0.00676912 -0.01246321 -0.04010124
29.17558955 5.12015959 -4.79808657
-0.00078266 0.00072371 -0.00050457
-0.00011321 -0.00546564 -0.00471633
27.07232309 6.92889872 -3.79837806
-0.00016873 0.00042170 -0.00033846
-0.00323975 -0.00233854 -0.00358723
-9.95423259 4.99953385 6.48531526
-0.00000545 0.00026734 -0.00020735
0.00343207 0.00610312 0.00302066
-8.83094432 13.36919042 2.60197481
-0.00013563 0.00003078 0.00002883
-0.00004935 -0.00410702 0.00305895
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09508081
0.31499400
419.71371608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3973797085 (a.u.)
total exchange computation time: 2.6757171154 s
-154.1834417783
-931.41265101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3970907557 (a.u.)
total exchange computation time: 2.6768348217 s
-154.1863609238
Anderson extrapolation: theta=1.3720462798 (1.3720462798)
-931.41286178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3965778284 (a.u.)
total exchange computation time: 2.6780221462 s
-154.1909488817
Anderson extrapolation: theta=0.0610698143 (0.0610698143)
-931.41299356
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3964517700 (a.u.)
total exchange computation time: 2.6792759895 s
-154.1917413087
Anderson extrapolation: theta=2.2296144147 (2.0000000000)
-931.41300015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3961648731 (a.u.)
total exchange computation time: 2.6771459579 s
-154.1934356903
Anderson extrapolation: theta=0.3551363943 (0.3551363943)
-931.41300829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3960549714 (a.u.)
total exchange computation time: 2.6774430275 s
-154.1939830627
Anderson extrapolation: theta=1.1925335856 (1.1925335856)
-931.41301028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3959423770 (a.u.)
total exchange computation time: 2.6771798134 s
-154.1944317305
Anderson extrapolation: theta=0.4437779168 (0.4437779168)
-931.41301189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3959150577 (a.u.)
total exchange computation time: 2.6765310764 s
-154.1944241713
Anderson extrapolation: theta=0.8487958321 (0.8487958321)
-931.41301241
-118.059053 68.480802 97.748119
559.706917 1031.784092 -409.325602
441.647864 1100.264894 -311.577483
1225.853254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3959110476 (a.u.)
total exchange computation time: 2.7393038273 s
679.31909293
-1084.42618647
89.72729368
-388.72364848
-174.91365326
78.63115353
551.60419304
0.00000000
-931.41301266
4.07443672 -31.39827772 -2.20956795
-0.00003332 -0.00041293 -0.00003681
-0.01581838 0.00479922 -0.01653161
-11.57030305 -1.46814033 -9.36430303
-0.00032326 0.00017791 -0.00023970
-0.01638642 -0.02041861 -0.00356658
-37.53086488 2.40554253 0.24254106
-0.00001031 0.00015642 -0.00011081
0.00660246 0.03003655 -0.02930300
-11.76429787 -4.20586092 4.04611349
-0.00003762 -0.00000581 0.00015778
0.02921010 -0.00992003 -0.01616981
4.03625812 -4.08876771 8.82213061
-0.00021846 -0.00011198 -0.00049668
-0.00200691 0.02046211 0.00341206
-32.71643981 -0.30741012 0.01034907
-0.00058241 0.00010818 0.00046847
-0.00444532 0.03889976 0.00979293
14.29316141 12.47482302 -13.54957941
0.00015397 0.00000240 0.00019139
0.01499526 0.00177958 0.01904526
-7.75194589 6.08784445 2.68991093
0.00001769 -0.00007090 -0.00002021
0.00760519 -0.01239288 0.01840165
7.26846318 12.19301833 -6.12866453
-0.00017447 -0.00024784 -0.00036326
0.01829461 0.01992541 -0.02321558
8.81220161 9.91916743 -19.10276958
0.00009333 -0.00016677 -0.00021101
0.02355221 -0.01226136 -0.00245316
23.18058386 17.33677230 -2.37250020
0.00001291 0.00010538 -0.00025310
-0.01370908 0.01558235 0.00267779
2.08127740 16.84544554 -19.67212585
-0.00002312 0.00010967 -0.00004877
0.00359428 0.01133117 0.06281312
14.00435752 -0.91084820 -5.81048402
0.00010526 0.00013675 0.00005294
-0.00533785 -0.02284439 0.01648499
-16.07715797 -1.40363483 3.22134268
-0.00023805 -0.00016445 -0.00009307
-0.03723784 -0.01142137 -0.00000171
-16.13063125 -2.27040576 18.77521245
0.00039923 -0.00035030 -0.00010094
0.00466728 0.01278666 0.02182607
0.46277121 2.13335355 -4.68409868
-0.00014304 0.00010346 0.00023451
0.01449486 -0.01626762 0.00010966
22.73668415 -7.08955853 -8.80796988
-0.00000480 -0.00005829 -0.00001185
0.01493113 -0.01668754 -0.00540144
-0.75050432 -6.36092986 7.29690119
0.00003265 -0.00017256 0.00000372
-0.02171946 -0.00735735 0.00883545
-1.77078082 -1.41438488 -19.35293829
-0.00021053 -0.00006804 -0.00004889
-0.01889900 0.02856421 0.01756600
3.13545450 1.64173089 -9.23800407
-0.00008169 -0.00023945 0.00008062
0.01418630 0.02376444 -0.03585011
-3.62943678 17.72734829 12.33291414
0.00020690 0.00009967 0.00007459
0.02645929 -0.02408248 -0.00769965
-3.88577521 5.14503251 -11.23526118
-0.00007657 0.00024006 -0.00018162
0.03199711 -0.01170338 0.00257966
-7.88322404 2.72942416 -8.88287800
-0.00008731 -0.00016618 0.00014792
-0.02513191 -0.00158955 0.00118149
2.48408035 27.52573330 8.91187048
0.00019880 0.00005406 0.00024019
-0.00596468 -0.00176054 0.02061698
9.44859930 -6.25260380 -1.74875405
-0.00034559 -0.00000116 0.00005255
0.00542987 0.00102433 0.00403100
-8.65861992 0.73626996 6.17351324
0.00000234 -0.00013608 0.00025526
-0.04740610 0.01211447 -0.00535097
20.50303269 10.92118223 8.71965131
0.00017814 0.00009133 -0.00004063
-0.00471116 -0.01299748 0.00441002
-1.98540839 -2.19884996 -27.60647719
0.00004965 -0.00009565 -0.00006511
0.03344481 -0.02188103 0.01986287
-14.20003514 6.16328111 8.03313960
0.00023438 0.00006429 0.00029648
0.02003314 -0.01815432 0.00146249
-9.66767003 7.22254859 -2.06822155
-0.00030635 -0.00002348 0.00044768
0.00698351 0.00908009 -0.01433737
-1.76513611 -15.13389276 23.14870320
0.00012371 0.00029315 -0.00055400
-0.01788889 0.02428358 0.00325918
-2.75300595 6.29861899 -6.09313086
-0.00024204 -0.00009741 0.00014015
0.02883342 -0.01125579 0.00527931
-20.35788234 30.21545549 4.18341081
-0.00024879 -0.00067251 0.00009822
-0.03012423 0.02405113 0.02822099
7.74120915 0.56060076 7.50658936
0.00012287 0.00059599 -0.00016201
0.01554793 -0.01345804 0.01407106
5.79200408 11.25769705 -13.40707061
0.00004257 -0.00056198 -0.00004479
-0.03116914 -0.00491811 -0.05250449
15.60851705 2.80490561 -1.67901128
0.00010710 0.00009567 0.00028141
-0.01561715 0.00247940 0.00731789
-4.45649030 13.08656384 -0.79532927
0.00001814 -0.00037881 0.00004681
-0.00138451 -0.00784761 0.02214556
4.79621773 12.53958336 2.56059696
0.00008552 0.00025414 -0.00040512
-0.05937411 0.00696232 0.00381157
25.07483108 -11.48594840 -9.86559711
-0.00020720 0.00017554 0.00027096
-0.00936747 0.01466327 0.00281200
16.85265300 -3.49480792 -0.75865617
0.00031684 0.00026507 -0.00010854
-0.00662671 -0.01059881 0.01891224
13.43266028 7.85641227 10.26496936
0.00050980 -0.00032257 0.00001344
-0.01691063 -0.00168330 -0.00306567
1.73541436 -14.05637238 17.52051497
0.00018350 0.00009018 -0.00004154
0.02041431 0.03316178 0.02438161
-3.69473332 -0.68869067 -14.16632360
0.00015255 0.00004515 0.00018940
0.00892294 -0.02352156 -0.02890627
14.98072805 -7.53105743 -8.83116920
-0.00015226 -0.00027034 0.00009493
0.02060133 -0.01521635 -0.03231738
8.37397751 -6.99554833 8.97210923
0.00009103 0.00037551 -0.00002131
-0.00204511 0.02151614 -0.00461622
-21.10416391 2.36535914 22.84550237
-0.00005019 0.00016257 0.00009835
-0.00550220 0.00554402 0.04636452
25.72064217 -3.10444022 -8.22525713
0.00008887 0.00015138 -0.00008840
0.00257198 -0.02174637 0.00725110
9.91785311 -13.93059196 -8.47150147
0.00008428 -0.00007241 -0.00035744
-0.00101904 0.02845600 -0.01698903
-6.70471323 -12.34596063 16.97636895
0.00015173 0.00032434 0.00005995
0.00505357 0.01464982 0.00082794
7.56775671 2.90699714 -29.31967249
-0.00040834 -0.00059450 -0.00003944
0.01228828 0.00520345 0.00235904
11.07152743 15.69097372 15.39650949
-0.00014852 0.00036971 0.00015756
-0.06903684 0.02831699 0.06680740
28.78379483 6.33996159 -3.48181412
0.00025660 0.00020960 0.00000955
0.00052218 0.00711908 0.01510228
5.29027445 -32.02068584 -3.41603452
-0.00011863 -0.00069223 -0.00024657
0.00324611 -0.00087927 -0.01393182
4.85082315 -31.51472781 -0.57901829
0.00010349 -0.00084130 0.00003398
0.00130105 -0.00173645 0.01873535
-12.15560023 -3.25537321 -9.26837731
-0.00031361 0.00043639 -0.00064772
0.00397466 0.02332457 -0.00670961
-12.20838816 -0.65169896 -10.88589630
0.00074832 0.00051008 0.00019385
0.00116897 -0.01210471 0.00528323
-38.94678946 2.30722226 1.34823313
-0.00009836 0.00058319 0.00025549
-0.01062956 -0.00347598 0.00579058
-37.91607450 3.88688043 -0.88586929
0.00034074 -0.00058392 0.00058663
0.00746064 -0.01573296 0.01003242
-10.71779742 -5.56224762 3.14006482
-0.00038525 0.00062161 0.00013170
-0.02034549 0.02234327 0.02184052
-10.57671347 -2.77420715 4.14546840
0.00008088 -0.00071245 0.00078999
-0.01182386 -0.00869125 0.00113824
4.20020162 -2.26769036 8.36372001
-0.00051419 -0.00061322 0.00034073
-0.00110311 -0.02825408 0.01003324
3.63164001 -4.11820540 10.65222061
-0.00031075 -0.00058071 -0.00035883
0.00967525 0.00496811 -0.01446003
-34.33482030 -1.14381532 0.14510335
-0.00107594 0.00037020 0.00037063
0.00247133 0.00446199 0.00038318
-33.13373439 1.50730126 0.50483550
-0.00051261 0.00045656 -0.00093930
0.00261390 -0.04420756 -0.01142148
13.49791544 12.96346851 -15.05004811
-0.00132493 0.00088707 -0.00023169
-0.02407994 0.01184100 -0.03279087
16.02102172 12.55664420 -14.09022638
-0.00161376 -0.00026632 -0.00034545
0.01354829 -0.00712183 0.00492359
-8.20486603 7.61025629 1.84817117
0.00086616 0.00001783 -0.00004487
-0.00198609 0.00635685 -0.01501344
-7.33230135 4.84025091 1.39994259
-0.00039122 0.00081924 0.00122037
-0.00216841 0.00339332 -0.00206351
6.23420972 12.43719049 -7.67061895
0.00023556 -0.00018317 -0.00035795
0.00850988 -0.00608933 0.01951731
8.76717785 13.40342041 -6.40200734
-0.00053619 -0.00012421 0.00065205
-0.01803985 -0.00859976 0.00133195
8.77000097 8.38509886 -20.08620550
0.00080369 -0.00000200 0.00053825
-0.00366929 -0.00072162 0.00059215
10.58124117 10.53624770 -19.28588738
-0.00013626 -0.00102918 0.00056184
-0.01810063 0.00432365 0.00271359
24.14756247 15.84285373 -2.76706195
0.00048881 -0.00020329 -0.00018002
0.01252459 -0.01069097 -0.00662337
24.08062260 18.80103574 -2.99070479
-0.00025972 0.00001739 -0.00043365
0.01993101 -0.00840298 0.00641748
1.58840975 16.97364764 -21.34743535
-0.00009342 -0.00045675 0.00061094
-0.00622448 -0.00391047 -0.05077191
3.46463992 15.67082504 -19.42623759
-0.00107348 0.00033079 -0.00003430
-0.00021420 -0.00365267 -0.00684582
12.95820302 -1.79203470 -7.05128025
0.00052356 -0.00079231 -0.00006567
0.00324308 0.00600681 -0.00145131
12.98713925 -1.02892113 -4.28574193
-0.00091011 -0.00038236 -0.00124435
0.00616011 0.00438946 -0.00247845
-17.91797549 -1.87805034 3.04906023
0.00010324 0.00024453 0.00112883
0.04053027 -0.00211901 0.00042058
-15.01651481 -2.85203258 2.78421120
-0.00008383 -0.00036196 0.00050654
-0.00602987 0.00172149 0.00940942
-16.42937896 -0.58046719 19.57086414
0.00121092 0.00043351 -0.00075589
0.01280135 -0.02333080 -0.00672613
-14.87921230 -3.18870022 19.84772203
0.00034010 0.00017315 -0.00025878
-0.01866552 0.01201199 -0.01669985
-0.25966064 0.44573940 -5.01242093
0.00052434 -0.00060050 -0.00030924
-0.00610305 0.00278618 0.00120783
-0.90951666 3.24415584 -5.06015169
0.00069875 0.00076714 -0.00023299
-0.01343590 0.01626802 -0.00264911
23.79754230 -8.60238483 -9.23612055
0.00064101 0.00115017 0.00019025
-0.01496078 0.00327411 0.00439871
23.97362900 -5.84999245 -8.24601026
-0.00026634 -0.00039247 0.00029689
-0.00639136 0.00757772 -0.00150592
-0.39463161 -6.27235652 5.52759954
-0.00107631 0.00025668 -0.00008715
0.01308672 0.00366101 -0.00785364
0.81038281 -6.33862629 8.22840293
0.00002156 0.00067713 -0.00034574
0.00631560 0.00827079 -0.00613488
-0.27967280 -2.35734895 -19.53227043
0.00065772 0.00013785 -0.00001720
0.01697716 -0.02327562 -0.00500468
-3.09673002 -2.07486159 -20.40584245
0.00061565 -0.00017422 0.00026248
0.00332591 -0.01015829 -0.01243124
2.87786008 3.20279229 -10.25449719
0.00002713 -0.00003604 0.00034461
-0.00005749 -0.01958252 -0.00111636
1.94922661 1.72223512 -7.90969658
-0.00054107 0.00055843 0.00031444
-0.02019864 0.01019035 0.02996823
-2.06320341 16.54055622 12.36345900
0.00081321 -0.00059616 0.00031988
-0.02606671 0.02200361 -0.00010037
-3.49156817 18.49209477 13.97663225
0.00116359 0.00019936 -0.00026452
0.00742342 0.01279248 0.00947968
-5.41691671 6.05685064 -11.10026136
-0.00090278 0.00118368 -0.00031844
-0.02720814 0.01131543 -0.01132792
-4.06705535 3.69109025 -12.33418767
0.00099348 -0.00108557 -0.00074062
-0.00124038 0.00617075 0.00073368
-7.78332168 1.32071523 -7.67785574
-0.00040544 -0.00017200 -0.00103557
-0.00491934 0.00867131 0.00106095
-6.20236215 3.07476271 -9.31683884
0.00131611 -0.00050203 0.00053559
0.02595731 0.00700979 -0.00525975
3.03005041 27.55174405 7.19630959
-0.00047521 -0.00096283 0.00097095
-0.00259058 0.00284958 -0.01171756
1.29444511 28.90104109 9.09365163
0.00016191 0.00059292 0.00000064
0.00165066 -0.00401765 -0.00138471
10.54872862 -7.14064751 -0.57030188
0.00033302 0.00051095 0.00100634
-0.00117651 0.00198923 0.00030029
8.34712625 -7.53364329 -2.42176758
-0.00055611 -0.00051571 0.00049732
-0.00331019 -0.00024363 -0.00129938
-7.13208170 0.08311449 6.89637096
-0.00004109 -0.00052338 0.00062987
0.01035863 -0.00838019 0.01853813
-10.24658731 0.54251243 7.19557542
-0.00000950 0.00062856 -0.00026539
0.03523767 -0.01103927 -0.01082204
21.08479487 11.10885241 10.44096763
-0.00084463 0.00059278 -0.00008008
0.00308671 -0.00572215 -0.00050899
20.36526544 12.64746044 8.17693712
-0.00012335 0.00063012 -0.00088448
0.00676108 0.01580917 -0.00811434
-0.87201839 -3.32162430 -26.46445268
-0.00011521 -0.00042730 -0.00097077
-0.02698656 0.00754990 -0.03027335
-3.34206283 -1.95184545 -26.46114364
0.00078518 0.00033176 -0.00029419
-0.02511926 0.00677138 0.00978631
-13.48034000 6.97257187 9.50510691
0.00026997 -0.00086425 0.00052988
-0.00882778 0.00265657 -0.00017356
-15.29344479 7.36641887 7.26896514
0.00051880 0.00014918 0.00037475
-0.00559101 0.01389511 0.00022638
-11.38878236 7.80018907 -2.09973674
-0.00033580 -0.00087006 0.00115867
-0.00701528 -0.00507631 -0.00367260
-8.85944151 8.12503701 -3.52361252
0.00005801 -0.00012777 0.00002193
-0.00423620 -0.00483830 0.01369038
-1.07123262 -16.66993191 22.56539124
0.00066652 0.00057565 -0.00069638
0.01712942 -0.02779045 -0.00902191
-3.46894736 -15.57166448 23.61313122
-0.00146551 0.00024417 0.00063828
-0.00382267 0.00208973 0.00351990
-2.84013847 6.26248125 -7.89667686
-0.00034826 -0.00068645 0.00014807
0.00026179 -0.00467128 -0.01589580
-4.42010339 6.57012625 -5.55711279
0.00082365 -0.00020843 0.00096920
-0.02762722 0.00848048 0.00965409
-21.82944666 29.81844627 3.08605822
-0.00074587 -0.00008787 -0.00077340
0.00991358 -0.00545367 -0.00652308
-21.39558373 30.99095617 5.58032558
-0.00046478 0.00048762 0.00036795
0.02347494 -0.00875562 -0.01593821
7.00824835 -0.12584586 5.94122592
0.00047704 -0.00110054 -0.00064073
-0.00041560 0.00809092 -0.00298931
7.21324411 2.23979232 7.90940073
-0.00017797 0.00024488 0.00071362
-0.00711721 0.01041556 -0.00608871
6.90485910 12.64182081 -12.96856480
-0.00027890 -0.00022459 0.00052037
0.01795514 0.01452434 -0.00317202
4.93635709 11.92299902 -15.00245408
0.00115246 -0.00006566 0.00081575
0.01883581 -0.01768596 0.03821594
14.21213625 3.93786961 -2.17679159
-0.00008857 0.00020017 0.00083773
0.01014585 -0.00731834 -0.00157894
14.78575880 1.16449781 -1.43400851
0.00016947 0.00107835 0.00082029
0.00666608 0.01245264 -0.00382969
-2.96092134 12.28597465 -0.11090413
-0.00043245 -0.00082188 -0.00004475
0.00462940 0.00229511 -0.01035025
-5.57911098 12.91557958 0.72044617
-0.00050061 -0.00016667 -0.00034666
-0.00106138 0.00444845 -0.02063132
3.16495779 11.54481735 2.56536615
-0.00082653 0.00005420 -0.00105395
0.03331394 0.00906607 0.00546651
6.10566270 11.40989585 3.04758196
0.00031466 -0.00007879 0.00015980
0.02436405 -0.01679629 0.00431237
25.19012570 -12.64528854 -8.46310606
0.00005769 -0.00096605 0.00000355
0.00636797 -0.00334322 -0.00388902
26.37906648 -11.43126456 -11.30372459
-0.00038243 0.00015661 -0.00122709
-0.00901125 -0.01254035 0.01527277
15.67027422 -2.82607499 0.54580998
0.00091374 0.00050428 0.00038952
0.00981115 -0.02168736 -0.02334619
16.93731214 -5.40448249 -0.73587348
-0.00021034 0.00061304 -0.00016733
-0.00414960 0.03144116 0.00578893
12.04555166 8.06874588 11.51002974
-0.00054318 0.00065101 0.00022812
0.01250247 -0.00765221 0.00411102
13.40421784 9.56660822 9.58306539
0.00047069 -0.00063199 -0.00025518
0.01464293 -0.00101191 -0.00506407
0.01624896 -14.59380513 17.41727240
0.00045214 -0.00017754 -0.00044941
-0.01946368 -0.01013710 -0.00762843
1.66930478 -12.66424996 18.78210223
0.00095132 -0.00037598 0.00032686
0.00588421 -0.01527852 -0.01917787
-3.86482692 -1.82451727 -12.74824968
0.00070748 0.00097791 0.00007750
0.00120854 -0.00418588 0.00917776
-2.84470280 -1.81617109 -15.46416854
0.00119419 -0.00102120 0.00053470
-0.01596301 0.02937186 0.02360017
14.78861972 -8.07131119 -10.63681615
-0.00013791 0.00034366 -0.00048818
-0.00205748 0.00509017 0.02598878
16.33726771 -6.18411304 -8.96718533
0.00094465 0.00054800 -0.00037811
-0.00745544 -0.01046115 -0.00372725
7.04570786 -5.79274607 8.43356002
0.00045668 0.00034406 0.00088925
0.00111339 -0.00429785 0.01124204
9.74551603 -6.52517693 7.87562064
-0.00010058 -0.00037953 0.00091332
0.00510943 -0.00147823 -0.00286962
-21.27869063 2.10595996 21.09061065
0.00141965 0.00030929 -0.00001882
-0.00820703 -0.00794122 -0.02997957
-22.40735486 1.41445018 23.82377026
0.00024568 -0.00037118 -0.00034067
0.01287875 0.00484207 -0.02018815
26.84122069 -2.90678188 -6.79939725
0.00030103 0.00034284 -0.00044747
0.00657746 0.00252698 0.00304991
25.42944079 -1.45329406 -8.91648821
0.00058367 0.00039940 -0.00028025
0.00012844 0.01501572 -0.00427963
10.03094298 -15.59976286 -7.91033364
-0.00000954 0.00053581 -0.00000474
-0.00299128 -0.03115561 0.01848481
9.36965929 -12.80567325 -7.12760872
-0.00042831 0.00015326 -0.00058537
-0.00625629 -0.00401021 -0.00160377
-5.84247182 -11.29702381 18.22495747
-0.00010051 -0.00051064 -0.00047593
-0.00140253 -0.00414280 0.00321592
-6.77690576 -11.19156610 15.54474512
0.00029230 0.00038711 0.00002728
-0.00402892 -0.00349267 -0.00215826
8.60463247 1.42529708 -29.53112383
0.00077681 0.00105189 0.00022027
0.00586049 -0.00284296 0.00107028
6.00187782 2.48819100 -30.15940443
-0.00062566 -0.00069055 -0.00055577
-0.01046945 -0.00285173 -0.00330312
12.54061734 15.05443597 14.64042955
0.00041754 0.00036735 0.00035789
0.04978351 -0.01106409 -0.02046555
11.41383609 16.16938288 17.21629385
0.00055394 0.00020821 -0.00069645
-0.00707956 -0.01142666 -0.03665428
29.16384617 5.13084770 -4.80579971
-0.00078081 0.00069904 -0.00052497
0.00102155 -0.00661004 -0.00526617
27.06969290 6.93515254 -3.80356492
-0.00017507 0.00041051 -0.00035052
0.00013341 -0.00313761 -0.00231720
-9.95430507 5.00356038 6.48221308
-0.00000421 0.00026949 -0.00020623
0.00346070 0.00586919 0.00324303
-8.83297879 13.36964492 2.60241265
-0.00013563 0.00002982 0.00002956
0.00000155 -0.00409425 0.00319080
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09512404
0.31788861
423.57064107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3991704241 (a.u.)
total exchange computation time: 2.7401189804 s
-154.1918029767
-931.41438475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3989215900 (a.u.)
total exchange computation time: 2.7424929142 s
-154.1945765303
Anderson extrapolation: theta=1.3486161158 (1.3486161158)
-931.41458057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3984902049 (a.u.)
total exchange computation time: 2.7388241291 s
-154.1988656443
Anderson extrapolation: theta=0.0501969237 (0.0501969237)
-931.41469859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3983903919 (a.u.)
total exchange computation time: 2.7396948338 s
-154.1995650779
Anderson extrapolation: theta=1.9157472236 (1.9157472236)
-931.41470302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3981708907 (a.u.)
total exchange computation time: 2.7402689457 s
-154.2010190293
Anderson extrapolation: theta=0.2109768472 (0.2109768472)
-931.41470767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3981127866 (a.u.)
total exchange computation time: 2.7386410236 s
-154.2013304255
Anderson extrapolation: theta=1.9217365108 (1.9217365108)
-931.41470856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3980156266 (a.u.)
total exchange computation time: 2.7382619381 s
-154.2017669330
Anderson extrapolation: theta=0.2849422574 (0.2849422574)
-931.41470976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3980038398 (a.u.)
total exchange computation time: 2.7384018898 s
-154.2017344147
Anderson extrapolation: theta=1.3503562377 (1.3503562377)
-931.41471006
-118.081837 68.528988 97.708136
559.745688 1031.789019 -409.305725
441.663851 1100.318007 -311.597589
1225.911796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1354894538
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3980005655 (a.u.)
total exchange computation time: 2.5986299515 s
679.35719734
-1084.49536993
89.71679404
-388.67607645
-174.91925479
78.66831275
551.60419304
0.00000000
-931.41471034
4.07387585 -31.40445322 -2.21018385
-0.00004106 -0.00041067 -0.00004532
-0.01428256 0.00400385 -0.01658355
-11.57521509 -1.46555048 -9.36791223
-0.00033104 0.00016740 -0.00024059
-0.01388222 -0.02043112 0.00009325
-37.53099399 2.40800467 0.24076592
-0.00000716 0.00017056 -0.00012445
0.00564574 0.02496118 -0.02375329
-11.76474950 -4.20598640 4.04841776
-0.00002347 -0.00001094 0.00014981
0.02581486 -0.01001161 -0.01482484
4.03297346 -4.09036842 8.81469355
-0.00021967 -0.00010267 -0.00049425
-0.00270199 0.01572094 0.00603392
-32.72519314 -0.30563735 0.01741396
-0.00058516 0.00012777 0.00047337
-0.00624990 0.03728316 0.00925957
14.29552883 12.47486592 -13.54663510
0.00015702 0.00000405 0.00019942
-0.00313684 0.00463801 0.01217326
-7.75165118 6.08673314 2.68967873
0.00002101 -0.00007535 -0.00000869
0.00528062 -0.00491186 0.02642004
7.26591670 12.18937755 -6.13420293
-0.00016511 -0.00023795 -0.00037468
0.01810254 0.01855079 -0.02121751
8.81369235 9.91661857 -19.10594420
0.00010476 -0.00017254 -0.00021160
0.02090821 -0.01018226 0.00017640
23.18072469 17.33841304 -2.37628637
0.00000628 0.00011223 -0.00025190
-0.01208967 0.01109059 0.00197962
2.08094452 16.84713431 -19.67261508
-0.00002223 0.00011655 -0.00001556
-0.00015769 0.01542265 0.06630445
14.00591580 -0.90888514 -5.80962630
0.00010246 0.00012457 0.00006030
-0.00553476 -0.02449432 0.01211510
-16.08087242 -1.40614566 3.21994655
-0.00025608 -0.00017008 -0.00009279
-0.03284073 -0.01047456 0.00109844
-16.12462484 -2.27561100 18.77378253
0.00040115 -0.00034290 -0.00008998
0.00282412 0.01599161 0.02080393
0.46068145 2.13484277 -4.68058066
-0.00013536 0.00009435 0.00023442
0.01537705 -0.01918016 -0.00044194
22.73666982 -7.09049722 -8.80816853
0.00000225 -0.00006629 -0.00001453
0.01246984 -0.01444647 -0.00499850
-0.75009842 -6.36354658 7.29699111
0.00002103 -0.00017633 0.00000828
-0.02343630 -0.00730309 0.00887107
-1.77401171 -1.41529529 -19.35360383
-0.00021777 -0.00005370 -0.00003913
-0.00923473 0.02717894 0.02038582
3.13428387 1.63823082 -9.23693306
-0.00007539 -0.00022704 0.00006322
0.01031340 0.02447790 -0.03181750
-3.62623116 17.72875052 12.33400326
0.00022111 0.00008650 0.00007048
0.02876763 -0.02716181 -0.00826571
-3.88680036 5.14858834 -11.23797547
-0.00006219 0.00023355 -0.00018124
0.02391327 -0.01361334 -0.00112681
-7.88463070 2.72692528 -8.88065460
-0.00009751 -0.00016548 0.00014693
-0.01451759 0.00431887 -0.00502859
2.48703937 27.52653735 8.91555281
0.00019464 0.00005376 0.00025278
-0.01021027 0.00062061 0.02834775
9.44343635 -6.25261730 -1.74795026
-0.00034236 -0.00000160 0.00005532
0.00713832 -0.00270304 0.00676321
-8.65876771 0.73427544 6.17732145
-0.00002090 -0.00012995 0.00025236
-0.04295852 0.01171916 -0.00589876
20.50568665 10.92250210 8.71905884
0.00017537 0.00008606 -0.00003951
-0.00607953 -0.00750613 -0.00005263
-1.98453459 -2.20036905 -27.60737725
0.00006756 -0.00010677 -0.00005625
0.03618003 -0.02138130 0.01461361
-14.19644220 6.16417550 8.03759249
0.00024469 0.00005453 0.00029697
0.02007016 -0.01981361 0.00043743
-9.67223833 7.22223141 -2.06156160
-0.00030187 -0.00001886 0.00044003
0.01043616 0.00887564 -0.01541796
-1.76334943 -15.12940188 23.14040573
0.00011147 0.00030503 -0.00055144
-0.02970017 0.02191342 0.00669330
-2.75652532 6.29711449 -6.09100826
-0.00022541 -0.00010346 0.00014229
0.03581709 -0.01228196 0.00304641
-20.36173041 30.20546063 4.18499295
-0.00026551 -0.00065981 0.00011274
-0.03488747 0.02532577 0.02825993
7.74311220 0.56948866 7.50421349
0.00013064 0.00058822 -0.00015576
0.01465553 -0.01673568 0.01021910
5.79252242 11.24924834 -13.40794497
0.00002769 -0.00056430 -0.00007037
-0.02669033 -0.00408080 -0.04696088
15.61006334 2.80635015 -1.67476190
0.00009957 0.00009834 0.00028494
-0.01368789 0.00792838 0.00640561
-4.45622350 13.08085143 -0.79454165
0.00001709 -0.00038262 0.00005790
-0.00269207 -0.00696522 0.02098711
4.79727150 12.54342227 2.55453483
0.00005501 0.00025645 -0.00040292
-0.05927693 0.00201959 0.00473781
25.07168699 -11.48325868 -9.86152185
-0.00021114 0.00018246 0.00027236
-0.00598029 0.01222862 0.00264132
16.85738007 -3.49087275 -0.76021128
0.00031339 0.00026017 -0.00009880
-0.00678181 -0.00847301 0.01893873
13.44024210 7.85156719 10.26515920
0.00049998 -0.00032348 0.00001293
-0.02128395 -0.00183857 0.00106298
1.73824559 -14.05489179 17.51998592
0.00019440 0.00010691 -0.00002926
0.02197732 0.03190608 0.02335638
-3.69241059 -0.68810410 -14.16359407
0.00015788 0.00003316 0.00017285
0.01180344 -0.02310704 -0.03543994
14.97852355 -7.53517120 -8.82986995
-0.00014050 -0.00027702 0.00007775
0.02514353 -0.01077192 -0.03448073
8.37533509 -6.98983273 8.97177182
0.00008908 0.00038528 -0.00002218
-0.00553557 0.01650346 0.00121883
-21.10493794 2.36781904 22.84715649
-0.00005273 0.00016563 0.00012199
-0.00436754 0.00636943 0.04554393
25.72198519 -3.10225339 -8.22655510
0.00008997 0.00014063 -0.00008505
0.00168032 -0.02004370 0.00576114
9.91911345 -13.93156830 -8.47692855
0.00008363 -0.00005682 -0.00036633
-0.00154181 0.03216002 -0.01757685
-6.70241779 -12.34103908 16.97727136
0.00015346 0.00033085 0.00005912
0.00167726 0.01068325 -0.00403203
7.56167898 2.89809965 -29.32025505
-0.00040351 -0.00059063 -0.00003832
0.00650444 0.00984656 0.00201433
11.06903340 15.69662861 15.39913060
-0.00018295 0.00038357 0.00019039
-0.06486517 0.02558743 0.06084115
28.78764586 6.34313313 -3.48161255
0.00025579 0.00021369 0.00001703
-0.00368036 0.00877800 0.01396392
5.28859454 -32.03109629 -3.42016001
-0.00010741 -0.00069459 -0.00030151
0.00224463 -0.00027370 -0.01295981
4.85241536 -31.52740059 -0.57793449
0.00010783 -0.00084785 0.00010829
0.00082169 -0.00146620 0.01763967
-12.16018253 -3.24811266 -9.27829875
-0.00029858 0.00052831 -0.00067491
0.00337864 0.02167093 -0.00659754
-12.19712760 -0.64441865 -10.88282660
0.00074969 0.00046425 0.00020792
-0.00049556 -0.01032838 0.00160159
-38.94859059 2.31586360 1.35224297
-0.00013765 0.00056890 0.00027613
-0.00860383 -0.00351923 0.00430957
-37.91073480 3.87763957 -0.87676243
0.00036873 -0.00063822 0.00061969
0.00624227 -0.01085032 0.00614929
-10.72419965 -5.55223883 3.14270965
-0.00046537 0.00070766 0.00021786
-0.01887446 0.01978114 0.02033249
-10.57586265 -2.78516030 4.15735305
0.00003606 -0.00074217 0.00079491
-0.01011464 -0.00585333 0.00127050
4.19245489 -2.27775444 8.36913839
-0.00051758 -0.00071877 0.00037844
-0.00055488 -0.02341139 0.00842503
3.62727523 -4.12676388 10.64639509
-0.00027097 -0.00056033 -0.00041913
0.00979808 0.00500781 -0.01505995
-34.35088367 -1.13812554 0.15067458
-0.00106142 0.00039077 0.00037197
0.00463666 0.00560534 0.00026924
-33.14134348 1.51279507 0.49039608
-0.00050244 0.00027697 -0.00098436
0.00236412 -0.04370695 -0.01063739
13.47730354 12.97713734 -15.05452826
-0.00141133 0.00092836 -0.00034409
-0.01821100 0.00837198 -0.02222809
15.99723054 12.55243120 -14.09525719
-0.00153346 -0.00029419 -0.00033361
0.02575484 -0.00652040 0.00086864
-8.19193446 7.61071854 1.84703803
0.00085744 0.00004542 -0.00010654
-0.00228356 0.00714650 -0.01517419
-7.33823615 4.85264356 1.41818492
-0.00039479 0.00081685 0.00119582
0.00042340 -0.00456339 -0.00995342
6.23800385 12.43425634 -7.67539006
0.00026809 -0.00020759 -0.00028118
0.00741252 -0.00586158 0.01806092
8.75858224 13.40129379 -6.39218583
-0.00060736 -0.00015756 0.00065619
-0.01679764 -0.00772765 0.00069800
8.78194383 8.38504677 -20.07811362
0.00078688 -0.00001293 0.00053588
-0.00455548 -0.00462719 -0.00175361
10.57864256 10.52094244 -19.27737661
-0.00020353 -0.00100751 0.00057255
-0.01482598 0.00628683 0.00252842
24.15527848 15.83947680 -2.76996519
0.00053574 -0.00024027 -0.00020494
0.01044751 -0.00740998 -0.00557683
24.07733750 18.80103905 -2.99701297
-0.00017727 -0.00001509 -0.00040792
0.02043070 -0.00749520 0.00618028
1.58681764 16.96667660 -21.33982710
-0.00012231 -0.00047186 0.00039340
-0.00791592 -0.00348778 -0.05571203
3.44853119 15.67567501 -19.42696186
-0.00106327 0.00030687 -0.00005981
0.00520895 -0.00805668 -0.00564071
12.96615585 -1.80373524 -7.05230985
0.00054012 -0.00076560 -0.00007025
0.00486183 0.00706531 -0.00078968
12.97367633 -1.03452202 -4.30448305
-0.00088787 -0.00036383 -0.00124646
0.00472781 0.00468338 0.00144335
-17.91518495 -1.87444728 3.06600561
0.00026227 0.00023344 0.00112880
0.03731944 -0.00331158 -0.00043880
-15.01795703 -2.85740925 2.79209759
-0.00010975 -0.00035422 0.00054482
-0.00665898 0.00206889 0.00933225
-16.41082283 -0.57467946 19.55931971
0.00126277 0.00033495 -0.00078452
0.01257629 -0.02491744 -0.00728820
-14.87468281 -3.18573487 19.84332861
0.00026772 0.00021878 -0.00032402
-0.01676180 0.01032375 -0.01523578
-0.25198260 0.43681729 -5.01702252
0.00049941 -0.00058198 -0.00030319
-0.00609726 0.00628127 0.00175407
-0.89944708 3.25616139 -5.06372767
0.00064164 0.00083239 -0.00024407
-0.01452235 0.01567377 -0.00277650
23.80669897 -8.58503199 -9.23313200
0.00058216 0.00115485 0.00020578
-0.01384548 -0.00098021 0.00320339
23.96943804 -5.85564722 -8.24160302
-0.00029040 -0.00035692 0.00029255
-0.00538729 0.00982338 -0.00061791
-0.41037528 -6.26839417 5.52605171
-0.00102189 0.00027169 -0.00012010
0.01355379 0.00368823 -0.00827868
0.81089974 -6.32821588 8.22302886
0.00004988 0.00071083 -0.00037043
0.00754835 0.00822364 -0.00595017
-0.26928676 -2.35599450 -19.53268181
0.00071639 0.00004958 -0.00003647
0.01174227 -0.01993234 -0.00442872
-3.08739335 -2.07778613 -20.40228613
0.00062083 -0.00021989 0.00020480
-0.00079040 -0.01219692 -0.01580352
2.87826533 3.20165164 -10.24936230
0.00002736 -0.00011563 0.00033858
0.00016636 -0.01937794 -0.00183323
1.94049157 1.73092380 -7.90406171
-0.00061633 0.00059851 0.00043002
-0.01664190 0.00943063 0.02661157
-2.05180402 16.53228808 12.36825407
0.00070173 -0.00050287 0.00031857
-0.02850272 0.02366107 -0.00053892
-3.47388685 18.49547722 13.97295490
0.00119312 0.00025328 -0.00022300
0.00703168 0.01359827 0.01084439
-5.43129219 6.07495263 -11.10538509
-0.00099706 0.00121726 -0.00036772
-0.01894379 0.00512194 -0.01279445
-4.05219112 3.67499576 -12.34527452
0.00098764 -0.00104432 -0.00072654
-0.00162026 0.01402055 0.00616160
-7.78955406 1.31840094 -7.69335684
-0.00042564 -0.00014418 -0.00102423
-0.00496861 0.00494902 0.00449308
-6.18182511 3.06744707 -9.30896609
0.00140078 -0.00047677 0.00051887
0.01549163 0.00535326 -0.00292643
3.02284284 27.53738898 7.21051480
-0.00048112 -0.00095112 0.00090803
-0.00030017 0.00288316 -0.01908208
1.29692427 28.90981173 9.09361882
0.00017271 0.00057167 -0.00000564
0.00363664 -0.00638060 -0.00168813
10.55368781 -7.13292234 -0.55519763
0.00032087 0.00052318 0.00099967
-0.00476843 0.00399918 -0.00356107
8.33868314 -7.54138644 -2.41434753
-0.00056565 -0.00051324 0.00049483
-0.00135664 0.00145299 0.00007856
-7.13238068 0.07500707 6.90638714
-0.00000327 -0.00055543 0.00070341
0.00815478 -0.00731055 0.01746060
-10.24565003 0.55160259 7.19126292
0.00013004 0.00058229 -0.00030628
0.03306883 -0.01161206 -0.00919496
21.07221995 11.11756874 10.43975088
-0.00083038 0.00057023 -0.00007762
0.00389199 -0.00531454 0.00171264
20.36362233 12.65739673 8.16342134
-0.00009449 0.00068250 -0.00091296
0.00736869 0.00983163 -0.00583023
-0.87457355 -3.32780246 -26.47994184
-0.00022275 -0.00039867 -0.00109064
-0.02565374 0.00646700 -0.02840409
-3.33105485 -1.94666155 -26.46525662
0.00067471 0.00036099 -0.00024734
-0.02895538 0.00753587 0.01314849
-13.47656099 6.95968948 9.51304985
0.00023470 -0.00085144 0.00053153
-0.00843621 0.00361786 0.00097939
-15.28583408 7.36908233 7.27459326
0.00049473 0.00020737 0.00037545
-0.00619392 0.01458924 0.00011873
-11.39403430 7.78698265 -2.08246917
-0.00036733 -0.00088863 0.00114192
-0.00841910 -0.00401737 -0.00452622
-8.85870113 8.12297222 -3.52286404
0.00003690 -0.00014883 0.00008142
-0.00609871 -0.00547314 0.01542782
-1.06070990 -16.66214881 22.55466915
0.00073334 0.00046231 -0.00073209
0.01557776 -0.02768693 -0.00846085
-3.49104711 -15.56793784 23.62281322
-0.00145379 0.00025683 0.00064451
0.00955893 0.00410648 -0.00046968
-2.84535438 6.25204135 -7.89494294
-0.00034869 -0.00070523 0.00008385
-0.00047343 -0.00452028 -0.01553934
-4.40859522 6.56725964 -5.54227903
0.00069841 -0.00017200 0.00101187
-0.03367684 0.00935198 0.01123456
-21.84033090 29.81696116 3.07425740
-0.00069933 -0.00010814 -0.00079365
0.01286612 -0.00447287 -0.00339291
-21.40183607 30.99800219 5.58535645
-0.00036525 0.00044740 0.00029621
0.02524663 -0.01093123 -0.01918012
7.01539125 -0.14210608 5.93152339
0.00047780 -0.00106069 -0.00064390
0.00078515 0.01141690 0.00143830
7.21035645 2.24378468 7.91991839
-0.00020823 0.00028716 0.00068669
-0.00769678 0.01028167 -0.00709114
6.90122584 12.63889696 -12.96085645
-0.00020698 -0.00016842 0.00050795
0.01725084 0.01297242 -0.00290970
4.95422111 11.92147216 -14.98904681
0.00122209 -0.00013509 0.00096037
0.01525068 -0.01629937 0.03257771
14.21111867 3.94064790 -2.16427396
-0.00004620 0.00017048 0.00083114
0.01059184 -0.00721522 -0.00164950
14.78850516 1.18105459 -1.42182156
0.00019186 0.00111718 0.00080583
0.00429160 0.00655906 -0.00324886
-2.96726622 12.27371684 -0.11189253
-0.00041130 -0.00081396 -0.00008537
0.00572568 0.00157835 -0.00953426
-5.58665269 12.91321589 0.71461406
-0.00050431 -0.00014863 -0.00043014
-0.00074870 0.00437883 -0.02023312
3.15358073 11.54590813 2.54972445
-0.00068192 0.00009501 -0.00103038
0.03747331 0.01090944 0.00606806
6.11112921 11.40819934 3.05011117
0.00040586 -0.00014176 0.00017459
0.02027790 -0.01403040 0.00292422
25.19118617 -12.65988177 -8.46317193
0.00008283 -0.00097379 -0.00001888
0.00593743 -0.00044598 -0.00709091
26.37305393 -11.42929972 -11.32166291
-0.00042396 0.00010477 -0.00115828
-0.01131746 -0.01283368 0.01841053
15.68428092 -2.81917529 0.55093740
0.00095339 0.00041580 0.00029375
0.00960083 -0.02162664 -0.02353573
16.93402986 -5.39432341 -0.73820607
-0.00022675 0.00073699 -0.00014357
-0.00388248 0.02923400 0.00584210
12.03778709 8.07827661 11.51357755
-0.00048364 0.00061777 0.00023819
0.01664461 -0.00862286 0.00081524
13.41172683 9.55709731 9.57908249
0.00053095 -0.00063350 -0.00027699
0.01485651 0.00027339 -0.00561311
0.02243458 -14.59677886 17.41029747
0.00037091 -0.00021817 -0.00047963
-0.02029687 -0.00975246 -0.00716369
1.68375485 -12.67035786 18.78641739
0.00097333 -0.00043674 0.00024962
0.00489173 -0.01446179 -0.01862903
-3.85417770 -1.80997695 -12.74680590
0.00071075 0.00095434 0.00012406
0.00039473 -0.00735178 0.01361468
-2.82727914 -1.83058902 -15.45542483
0.00112436 -0.00089539 0.00063546
-0.01821620 0.03220990 0.02572346
14.78648800 -8.06600030 -10.64334246
-0.00014654 0.00036430 -0.00037830
-0.00216660 0.00501099 0.02779733
16.35120894 -6.17621362 -8.97297120
0.00090616 0.00049744 -0.00039203
-0.01138552 -0.01428969 -0.00308620
7.05259213 -5.78771685 8.44724322
0.00045717 0.00033108 0.00093178
-0.00087194 -0.00205807 0.00958021
9.74416393 -6.53091520 7.88923254
-0.00006959 -0.00038133 0.00089279
0.01006014 0.00059634 -0.00718232
-21.25764736 2.11035603 21.08940962
0.00138566 0.00027631 -0.00014041
-0.00843041 -0.00820501 -0.02953625
-22.40327503 1.40903081 23.81804160
0.00029611 -0.00035217 -0.00042260
0.01180919 0.00446704 -0.01991854
26.84593771 -2.90156188 -6.80601584
0.00032921 0.00035260 -0.00043330
0.00721443 0.00225168 0.00388803
25.43819980 -1.44684290 -8.92082318
0.00058437 0.00045706 -0.00029664
0.00021255 0.01320825 -0.00373911
10.03070824 -15.59268041 -7.90983837
-0.00002106 0.00040112 0.00007308
-0.00264990 -0.03477641 0.01961087
9.36304287 -12.80349724 -7.13643841
-0.00045325 0.00013672 -0.00059313
-0.00594969 -0.00408494 -0.00219456
-5.84402248 -11.30481035 18.21791713
-0.00009966 -0.00051942 -0.00045307
0.00181829 -0.00015635 0.00797052
-6.77264476 -11.18586644 15.54508821
0.00027565 0.00037239 0.00001894
-0.00411784 -0.00371408 -0.00192725
8.61646418 1.44098826 -29.52778694
0.00080500 0.00103124 0.00022246
0.00793851 -0.00726338 -0.00000186
5.99217213 2.47774537 -30.16784221
-0.00066109 -0.00070251 -0.00056604
-0.00687235 -0.00300079 -0.00172406
12.54840588 15.05960712 14.64517081
0.00061321 0.00032478 0.00027612
0.04599833 -0.00977091 -0.01956191
11.42192831 16.17215585 17.20472387
0.00052485 0.00016432 -0.00083682
-0.00716451 -0.01005847 -0.03205597
29.15216540 5.14113070 -4.81383559
-0.00077449 0.00067018 -0.00054707
0.00207150 -0.00751503 -0.00555491
27.06707089 6.94121408 -3.80889380
-0.00016792 0.00039617 -0.00035739
0.00336839 -0.00388119 -0.00104147
-9.95435898 5.00761843 6.47912832
-0.00000297 0.00027154 -0.00020503
0.00347206 0.00562580 0.00346283
-8.83501326 13.37008516 2.60286160
-0.00013563 0.00002888 0.00003032
0.00002563 -0.00407958 0.00334933
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09515859
0.31955176
425.78669332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4017402433 (a.u.)
total exchange computation time: 2.6954579353 s
-154.2006333913
-931.41473060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4014505946 (a.u.)
total exchange computation time: 2.6932129860 s
-154.2036689417
Anderson extrapolation: theta=1.3555895803 (1.3555895803)
-931.41492243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4009488518 (a.u.)
total exchange computation time: 2.6948940754 s
-154.2084187762
Anderson extrapolation: theta=0.0513714694 (0.0513714694)
-931.41503861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4008350775 (a.u.)
total exchange computation time: 2.6982560158 s
-154.2092103009
Anderson extrapolation: theta=1.9129741146 (1.9129741146)
-931.41504297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4005861818 (a.u.)
total exchange computation time: 2.6930339336 s
-154.2108592414
Anderson extrapolation: theta=0.2075995726 (0.2075995726)
-931.41504749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4005211719 (a.u.)
total exchange computation time: 2.6950349808 s
-154.2112186259
Anderson extrapolation: theta=1.8894689355 (1.8894689355)
-931.41504832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4004132436 (a.u.)
total exchange computation time: 2.6968300343 s
-154.2117369499
Anderson extrapolation: theta=0.2796476607 (0.2796476607)
-931.41504941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4003995820 (a.u.)
total exchange computation time: 2.6946790218 s
-154.2117246047
Anderson extrapolation: theta=1.3448840718 (1.3448840718)
-931.41504970
-118.104347 68.580313 97.662420
559.786213 1031.792298 -409.288831
441.681866 1100.372612 -311.626411
1225.974623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1359221201
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4003946300 (a.u.)
total exchange computation time: 2.6947889328 s
679.39998923
-1084.57720461
89.70684529
-388.61868810
-174.92559714
78.71373612
551.60419304
0.00000000
-931.41504996
4.07320479 -31.41059782 -2.21092769
-0.00004792 -0.00040883 -0.00005380
-0.01236960 0.00313684 -0.01639121
-11.58023422 -1.46311825 -9.37152071
-0.00033749 0.00015701 -0.00023957
-0.01120932 -0.01999075 0.00387662
-37.53107954 2.41065937 0.23880753
-0.00000453 0.00018193 -0.00013505
0.00458370 0.01923201 -0.01747606
-11.76500198 -4.20618911 4.05060766
-0.00001124 -0.00001602 0.00014263
0.02173607 -0.00975046 -0.01309276
4.02966797 -4.09184784 8.80730304
-0.00022123 -0.00009601 -0.00049053
-0.00336609 0.01017538 0.00844688
-32.73399469 -0.30357695 0.02455029
-0.00058878 0.00014633 0.00047795
-0.00782696 0.03488338 0.00852013
14.29787206 12.47494461 -13.54359688
0.00015068 0.00000722 0.00020401
-0.02152436 0.00768027 0.00566590
-7.75131573 6.08558394 2.68965036
0.00002306 -0.00007572 0.00000698
0.00272242 0.00345539 0.03449680
7.26350988 12.18587989 -6.13990501
-0.00015585 -0.00022884 -0.00038497
0.01790390 0.01685982 -0.01876880
8.81534439 9.91399115 -19.10911746
0.00011470 -0.00017728 -0.00021084
0.01775395 -0.00825402 0.00275947
23.18077226 17.34013934 -2.38005727
0.00000055 0.00011672 -0.00025108
-0.01020878 0.00635656 0.00122924
2.08061044 16.84894205 -19.67259279
-0.00002345 0.00012561 0.00001883
-0.00459607 0.01981586 0.06745916
14.00743138 -0.90711103 -5.80867513
0.00009963 0.00011158 0.00006544
-0.00546331 -0.02604161 0.00787800
-16.08484023 -1.40873731 3.21855890
-0.00027161 -0.00017516 -0.00009194
-0.02755879 -0.00928390 0.00221789
-16.11859665 -2.28069288 18.77251311
0.00040205 -0.00033391 -0.00007970
0.00065082 0.01899934 0.01915898
0.45871032 2.13618401 -4.67706604
-0.00012737 0.00008390 0.00023401
0.01568617 -0.02143633 -0.00117253
22.73675169 -7.09154736 -8.80840575
0.00000798 -0.00007309 -0.00001697
0.00978902 -0.01196966 -0.00451221
-0.74987332 -6.36621965 7.29714947
0.00000862 -0.00018007 0.00001275
-0.02483317 -0.00725460 0.00854382
-1.77731385 -1.41599601 -19.35411210
-0.00021998 -0.00004017 -0.00002799
0.00063901 0.02544081 0.02293565
3.13319281 1.63491958 -9.23610751
-0.00007123 -0.00021435 0.00004814
0.00587631 0.02489868 -0.02681828
-3.62280360 17.72994320 12.33502861
0.00023634 0.00007193 0.00006623
0.03048460 -0.02950310 -0.00826143
-3.88764104 5.15203914 -11.24069845
-0.00005192 0.00022625 -0.00018263
0.01605355 -0.01480565 -0.00428271
-7.88614936 2.72445971 -8.87847000
-0.00010228 -0.00016172 0.00014277
-0.00401470 0.01031663 -0.01116173
2.48991962 27.52734618 8.91945383
0.00018842 0.00005466 0.00026921
-0.01400240 0.00288645 0.03553468
9.43832848 -6.25265166 -1.74709430
-0.00033831 -0.00000388 0.00005946
0.00862474 -0.00618568 0.00932118
-8.65924690 0.73237133 6.18108415
-0.00004152 -0.00012409 0.00024916
-0.03723389 0.01107035 -0.00654514
20.50829371 10.92376405 8.71846596
0.00017189 0.00008360 -0.00004068
-0.00743229 -0.00204463 -0.00447534
-1.98338167 -2.20205308 -27.60816457
0.00008652 -0.00011749 -0.00005001
0.03756547 -0.02029517 0.00961720
-14.19269442 6.16491704 8.04204876
0.00025493 0.00004402 0.00029687
0.01976306 -0.02104607 -0.00083924
-9.67672611 7.22198270 -2.05502059
-0.00029574 -0.00001437 0.00043191
0.01341473 0.00858177 -0.01616443
-1.76179188 -15.12474194 23.13215990
0.00009369 0.00031552 -0.00054731
-0.03945239 0.01887691 0.00939392
-2.75976837 6.29551524 -6.08886216
-0.00020555 -0.00011000 0.00014325
0.04142928 -0.01316224 0.00070256
-20.36584762 30.19566115 4.18679311
-0.00028448 -0.00064652 0.00012717
-0.03886485 0.02635080 0.02782202
7.74512832 0.57824746 7.50191646
0.00013794 0.00057890 -0.00015141
0.01373753 -0.01950978 0.00670422
5.79283485 11.24076816 -13.40918161
0.00001535 -0.00056621 -0.00009276
-0.02128877 -0.00334607 -0.04013072
15.61150402 2.80785585 -1.67046310
0.00009314 0.00010387 0.00028798
-0.01128757 0.01356898 0.00540660
-4.45597747 13.07508529 -0.79359213
0.00001543 -0.00038596 0.00006831
-0.00377282 -0.00602654 0.01947091
4.79786796 12.54727676 2.54850925
0.00002491 0.00025622 -0.00040019
-0.05777053 -0.00292052 0.00587773
25.06849677 -11.48047462 -9.85742622
-0.00021343 0.00018811 0.00027372
-0.00292655 0.00976031 0.00261899
16.86205481 -3.48700295 -0.76162029
0.00030997 0.00025646 -0.00008918
-0.00653373 -0.00593931 0.01848723
13.44765972 7.84670792 10.26535723
0.00048805 -0.00032447 0.00001441
-0.02511477 -0.00201820 0.00471498
1.74124637 -14.05316506 17.51963706
0.00020590 0.00012280 -0.00001765
0.02274257 0.02988539 0.02179435
-3.68999681 -0.68769579 -14.16113796
0.00016454 0.00002147 0.00015323
0.01409787 -0.02235491 -0.04086658
14.97651303 -7.53936808 -8.82883670
-0.00012654 -0.00028153 0.00005964
0.02913387 -0.00674552 -0.03593252
8.37664997 -6.98398981 8.97144382
0.00008539 0.00039247 -0.00002007
-0.00881691 0.01143257 0.00698932
-21.10574567 2.37032808 22.84916196
-0.00005462 0.00016915 0.00014475
-0.00301207 0.00730186 0.04298568
25.72334118 -3.10022120 -8.22780862
0.00009063 0.00013087 -0.00008246
0.00090963 -0.01791463 0.00430070
9.92036189 -13.93229653 -8.48249124
0.00008273 -0.00003975 -0.00037540
-0.00192807 0.03422407 -0.01772360
-6.70010942 -12.33603510 16.97814267
0.00015343 0.00033530 0.00005578
-0.00179399 0.00660333 -0.00898881
7.55565142 2.88927812 -29.32082206
-0.00040163 -0.00058450 -0.00003740
0.00079149 0.01401381 0.00157470
11.06603895 15.70248090 15.40222108
-0.00021491 0.00039579 0.00021968
-0.05942658 0.02193945 0.05307394
28.79146850 6.34637238 -3.48130325
0.00025290 0.00021855 0.00002385
-0.00753661 0.01009690 0.01257432
5.28705220 -32.04152351 -3.42507976
-0.00010062 -0.00069425 -0.00035198
0.00107873 0.00043746 -0.01174664
4.85405794 -31.54016322 -0.57576962
0.00010975 -0.00085320 0.00017705
0.00012012 -0.00115462 0.01602077
-12.16455777 -3.23952398 -9.28862453
-0.00028641 0.00061211 -0.00070150
0.00258178 0.01935020 -0.00642064
-12.18589742 -0.63777133 -10.87965873
0.00074427 0.00042608 0.00020654
-0.00215979 -0.00835767 -0.00227593
-38.95091903 2.32428927 1.35651691
-0.00016807 0.00055447 0.00029017
-0.00628438 -0.00354682 0.00256611
-37.90501254 3.86773374 -0.86727870
0.00039138 -0.00067116 0.00063585
0.00484474 -0.00527220 0.00176051
-10.73175863 -5.54101774 3.14660059
-0.00053849 0.00078196 0.00029687
-0.01691821 0.01658698 0.01834312
-10.57563173 -2.79647218 4.16931558
-0.00000125 -0.00075974 0.00080050
-0.00814625 -0.00274728 0.00146784
4.18467416 -2.28925332 8.37507310
-0.00051860 -0.00080267 0.00040912
0.00005825 -0.01766155 0.00659637
3.62351094 -4.13501544 10.63964660
-0.00023091 -0.00053992 -0.00048101
0.00980976 0.00498294 -0.01522983
-34.36666286 -1.13209223 0.15626232
-0.00103832 0.00041568 0.00037282
0.00666930 0.00658947 0.00015123
-33.14880768 1.51561024 0.47530474
-0.00049359 0.00010150 -0.00102576
0.00197056 -0.04218344 -0.00962776
13.45557556 12.99131925 -15.06037069
-0.00147290 0.00095509 -0.00041335
-0.01192979 0.00471510 -0.01167933
15.97501778 12.54781858 -14.10023476
-0.00140348 -0.00031964 -0.00033895
0.03787140 -0.00593817 -0.00348172
-8.17914284 7.61161877 1.84497491
0.00084779 0.00007525 -0.00016828
-0.00244143 0.00745753 -0.01504778
-7.34414500 4.86475655 1.43581724
-0.00038736 0.00078064 0.00113787
0.00321227 -0.01316582 -0.01841533
6.24225227 12.43096294 -7.67905428
0.00029549 -0.00023088 -0.00021137
0.00600241 -0.00554210 0.01611129
8.74895718 13.39869357 -6.38232154
-0.00067276 -0.00018680 0.00065772
-0.01521853 -0.00658458 0.00004928
8.79360750 8.38471110 -20.07012921
0.00076658 -0.00003975 0.00052402
-0.00538527 -0.00850442 -0.00404989
10.57513532 10.50602248 -19.26871089
-0.00025645 -0.00097759 0.00058248
-0.01108137 0.00835980 0.00233073
24.16363478 15.83564574 -2.77321021
0.00057379 -0.00026346 -0.00022542
0.00817758 -0.00394463 -0.00444816
24.07530451 18.80058300 -3.00294237
-0.00009300 -0.00004384 -0.00038318
0.02081880 -0.00657722 0.00592860
1.58474040 16.95949180 -21.33563323
-0.00015679 -0.00048557 0.00016051
-0.00896210 -0.00322217 -0.05829341
3.43274168 15.68003122 -19.42803183
-0.00103086 0.00026475 -0.00008023
0.01065937 -0.01256485 -0.00435695
12.97440665 -1.81500279 -7.05338783
0.00056302 -0.00073474 -0.00007230
0.00634526 0.00803991 -0.00021153
12.96050316 -1.03983588 -4.32313572
-0.00087178 -0.00034421 -0.00123262
0.00315022 0.00491918 0.00533297
-17.91010725 -1.87104718 3.08292410
0.00040600 0.00021708 0.00112528
0.03303548 -0.00469732 -0.00128268
-15.01980735 -2.86265912 2.80055591
-0.00013801 -0.00034522 0.00058270
-0.00717269 0.00233624 0.00921071
-16.39149596 -0.57041883 19.54732862
0.00131334 0.00023115 -0.00081494
0.01217960 -0.02589111 -0.00760424
-14.87118059 -3.18213682 19.83800145
0.00020415 0.00025675 -0.00038244
-0.01435674 0.00826381 -0.01336280
-0.24467824 0.42828014 -5.02151660
0.00047439 -0.00054959 -0.00029493
-0.00615094 0.00957249 0.00229076
-0.89026753 3.26912752 -5.06747381
0.00058141 0.00089423 -0.00025533
-0.01496103 0.01459900 -0.00273494
23.81500711 -8.56773921 -9.22994712
0.00052847 0.00114187 0.00021630
-0.01243406 -0.00537367 0.00194633
23.96491692 -5.86069996 -8.23723364
-0.00031037 -0.00031238 0.00029182
-0.00438648 0.01197733 0.00026057
-0.42528830 -6.26420578 5.52399650
-0.00096587 0.00028679 -0.00015390
0.01386973 0.00370371 -0.00826533
0.81187927 -6.31730147 8.21729013
0.00008281 0.00074433 -0.00039448
0.00857246 0.00817577 -0.00582281
-0.25818107 -2.35586164 -19.53336460
0.00075263 -0.00002445 -0.00005319
0.00599653 -0.01630189 -0.00375387
-3.07810513 -2.08145817 -20.39969835
0.00060970 -0.00027365 0.00013377
-0.00465969 -0.01412137 -0.01896960
2.87868077 3.19932339 -10.24433977
0.00002833 -0.00019350 0.00032910
0.00030937 -0.01873957 -0.00280546
1.93073662 1.74019046 -7.89679591
-0.00067565 0.00063529 0.00053040
-0.01239384 0.00857129 0.02252488
-2.04215147 16.52547003 12.37301611
0.00058161 -0.00040385 0.00031539
-0.03029520 0.02481283 -0.00101722
-3.45577458 18.49969306 13.96994217
0.00122093 0.00030991 -0.00017708
0.00658168 0.01412353 0.01163698
-5.44682866 6.09336853 -11.11129293
-0.00105768 0.00122571 -0.00042272
-0.01072828 -0.00098893 -0.01413018
-4.03742619 3.65976054 -12.35598374
0.00097998 -0.00097266 -0.00069160
-0.00212934 0.02106046 0.01094162
-7.79609095 1.31638996 -7.70858258
-0.00044598 -0.00013200 -0.00099874
-0.00498900 0.00101097 0.00798361
-6.16033864 3.06045950 -9.30127270
0.00144274 -0.00045810 0.00051145
0.00504669 0.00378945 -0.00070704
3.01561688 27.52321059 7.22355053
-0.00047814 -0.00093952 0.00081606
0.00175913 0.00279441 -0.02593877
1.29962632 28.91819133 9.09348255
0.00019116 0.00054126 -0.00001306
0.00539616 -0.00850874 -0.00194729
10.55835477 -7.12495208 -0.54031163
0.00029452 0.00054310 0.00097769
-0.00813135 0.00574916 -0.00720228
8.33015690 -7.54904055 -2.40692266
-0.00056723 -0.00050381 0.00049792
0.00058286 0.00316187 0.00143179
-7.13217987 0.06645161 6.91747341
0.00002453 -0.00058254 0.00077182
0.00545614 -0.00596276 0.01602443
-10.24268608 0.55998110 7.18638690
0.00025903 0.00053367 -0.00033961
0.03007444 -0.01218936 -0.00711659
21.05988356 11.12595935 10.43863909
-0.00081299 0.00054941 -0.00006632
0.00461962 -0.00487584 0.00381935
20.36243081 12.66793555 8.14954825
-0.00006304 0.00071043 -0.00093191
0.00802708 0.00383741 -0.00344546
-0.87870093 -3.33358428 -26.49717178
-0.00032381 -0.00037532 -0.00120187
-0.02381323 0.00495863 -0.02604488
-3.32182144 -1.94101581 -26.46856379
0.00055044 0.00039301 -0.00018817
-0.03187571 0.00814053 0.01581532
-13.47329899 6.94702880 9.52105281
0.00020109 -0.00083478 0.00053795
-0.00801388 0.00453726 0.00216514
-15.27860297 7.37263992 7.28022866
0.00046889 0.00026757 0.00037619
-0.00645466 0.01488138 0.00024451
-11.39980222 7.77353002 -2.06547899
-0.00040404 -0.00090312 0.00112172
-0.00955075 -0.00307290 -0.00536385
-8.85833452 8.12057199 -3.52117005
0.00000856 -0.00017204 0.00014725
-0.00777497 -0.00588641 0.01679962
-1.04923248 -16.65606253 22.54342853
0.00079280 0.00035165 -0.00076457
0.01353113 -0.02648500 -0.00743655
-3.51256102 -15.56395953 23.63246643
-0.00139056 0.00027687 0.00063503
0.02139387 0.00570005 -0.00417063
-2.85059930 6.24132443 -7.89416137
-0.00035215 -0.00072333 0.00002217
-0.00121867 -0.00434174 -0.01465215
-4.39915098 6.56496618 -5.52675674
0.00055139 -0.00013244 0.00106016
-0.03829397 0.01001588 0.01240654
-21.85042663 29.81520192 3.06224864
-0.00064134 -0.00012460 -0.00080146
0.01552102 -0.00358040 -0.00042692
-21.40654114 31.00437828 5.58921185
-0.00025957 0.00039902 0.00021264
0.02648245 -0.01275366 -0.02172744
7.02258227 -0.15766660 5.92190901
0.00048313 -0.00100746 -0.00062952
0.00182403 0.01464202 0.00560004
7.20699708 2.24840716 7.93000146
-0.00024048 0.00032806 0.00065563
-0.00808893 0.00973792 -0.00811367
6.89864982 12.63676813 -12.95332643
-0.00013870 -0.00011962 0.00049626
0.01617143 0.01091609 -0.00280873
4.97301978 11.91894638 -14.97364299
0.00127585 -0.00019766 0.00107942
0.01106291 -0.01433213 0.02569685
14.21075023 3.94298400 -2.15185743
-0.00000253 0.00014168 0.00082411
0.01078327 -0.00688096 -0.00179197
14.79151454 1.19801334 -1.40983372
0.00020407 0.00113107 0.00079410
0.00168544 0.00023613 -0.00249350
-2.97326020 12.26155577 -0.11346524
-0.00038576 -0.00080903 -0.00012255
0.00677430 0.00083707 -0.00866577
-5.59424028 12.91112056 0.70754193
-0.00050707 -0.00013103 -0.00051129
-0.00060223 0.00423764 -0.01948922
3.14450028 11.54766751 2.53445465
-0.00052235 0.00014231 -0.00100436
0.04063472 0.01224659 0.00667163
6.11783847 11.40564296 3.05281959
0.00047938 -0.00019237 0.00018318
0.01571272 -0.01074266 0.00128367
25.19261052 -12.67450234 -8.46367237
0.00010615 -0.00096979 -0.00005402
0.00547869 0.00240344 -0.01011215
26.36634777 -11.42812141 -11.33847291
-0.00047423 0.00005187 -0.00107726
-0.01329075 -0.01306430 0.02124957
15.69887602 -2.81360101 0.55462241
0.00099125 0.00032827 0.00019831
0.00892900 -0.02122005 -0.02318378
16.93050963 -5.38237269 -0.74018062
-0.00024199 0.00085036 -0.00011970
-0.00357871 0.02625932 0.00584421
12.03104261 8.08727888 11.51717533
-0.00040812 0.00058068 0.00023564
0.02031968 -0.00953151 -0.00206338
13.42014632 9.54760317 9.57475558
0.00059197 -0.00062983 -0.00030094
0.01501246 0.00152374 -0.00610744
0.02737628 -14.60035028 17.40288350
0.00028802 -0.00025662 -0.00050782
-0.02028077 -0.00906990 -0.00663383
1.69850472 -12.67735207 18.78959085
0.00099122 -0.00049309 0.00017566
0.00386333 -0.01312560 -0.01757537
-3.84350429 -1.79588719 -12.74452773
0.00071089 0.00091844 0.00018812
-0.00032902 -0.01021842 0.01774007
-2.81097188 -1.84303293 -15.44510462
0.00104633 -0.00075941 0.00074321
-0.01998105 0.03435683 0.02701829
14.78422349 -8.06038231 -10.64816518
-0.00015577 0.00038411 -0.00026257
-0.00235166 0.00468814 0.02885572
16.36445239 -6.16918996 -8.97894621
0.00085287 0.00043258 -0.00040329
-0.01469693 -0.01745636 -0.00242757
7.05942296 -5.78281375 8.46151356
0.00044932 0.00032758 0.00096741
-0.00297023 0.00034838 0.00786030
9.74342838 -6.53661694 7.90240427
-0.00001855 -0.00037478 0.00085486
0.01492100 0.00261139 -0.01138185
-21.23712075 2.11424925 21.08639843
0.00135108 0.00024274 -0.00025728
-0.00849727 -0.00822888 -0.02767321
-22.39847145 1.40388521 23.81109221
0.00034139 -0.00033532 -0.00050267
0.01035594 0.00378048 -0.01927540
26.85109687 -2.89620387 -6.81239614
0.00035973 0.00036117 -0.00041598
0.00772533 0.00194532 0.00458860
25.44697183 -1.43958226 -8.92538730
0.00058550 0.00050649 -0.00031042
0.00033991 0.01098840 -0.00300910
10.03031109 -15.58772928 -7.90814123
-0.00003142 0.00025495 0.00015438
-0.00241954 -0.03677379 0.02018364
9.35606181 -12.80157158 -7.14540261
-0.00047695 0.00012001 -0.00060315
-0.00565359 -0.00409475 -0.00271085
-5.84546170 -11.31260649 18.21136527
-0.00008543 -0.00051172 -0.00041058
0.00514846 0.00392762 0.01282840
-6.76863613 -11.18039439 15.54531319
0.00025870 0.00035682 0.00001156
-0.00417911 -0.00390545 -0.00168457
8.62878241 1.45623430 -29.52445016
0.00084141 0.00099337 0.00022034
0.00988678 -0.01127250 -0.00103532
5.98204526 2.46711583 -30.17638566
-0.00068160 -0.00071499 -0.00056974
-0.00317179 -0.00311154 -0.00008831
12.55901350 15.06417944 14.64871320
0.00079019 0.00028887 0.00019948
0.04063815 -0.00780880 -0.01795248
11.42958144 16.17431238 17.19118931
0.00049592 0.00012668 -0.00095604
-0.00699352 -0.00836291 -0.02630189
29.14061158 5.15095313 -4.82221191
-0.00076406 0.00063817 -0.00056976
0.00303185 -0.00815699 -0.00555190
27.06465532 6.94703775 -3.81428651
-0.00014803 0.00037898 -0.00035907
0.00636654 -0.00453494 0.00021570
-9.95439424 5.01170669 6.47606214
-0.00000173 0.00027351 -0.00020375
0.00346845 0.00537651 0.00368437
-8.83704764 13.37051120 2.60332221
-0.00013562 0.00002793 0.00003112
0.00002716 -0.00406420 0.00353344
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09529179
0.31975817
426.06173322
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4038917904 (a.u.)
total exchange computation time: 2.6947131157 s
-154.2110438697
-931.41314613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4035920847 (a.u.)
total exchange computation time: 2.6971788406 s
-154.2143057893
Anderson extrapolation: theta=1.3740256085 (1.3740256085)
-931.41333935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4030916179 (a.u.)
total exchange computation time: 2.6987318993 s
-154.2193435338
Anderson extrapolation: theta=0.0588314199 (0.0588314199)
-931.41345831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4029927035 (a.u.)
total exchange computation time: 2.6957399845 s
-154.2201085960
Anderson extrapolation: theta=2.0607400236 (2.0000000000)
-931.41346333
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4027771619 (a.u.)
total exchange computation time: 2.6979877949 s
-154.2216978106
Anderson extrapolation: theta=0.2498337723 (0.2498337723)
-931.41346862
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4027224509 (a.u.)
total exchange computation time: 2.6986129284 s
-154.2220367723
Anderson extrapolation: theta=1.5630998670 (1.5630998670)
-931.41346956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4026563528 (a.u.)
total exchange computation time: 2.6966259480 s
-154.2223748013
Anderson extrapolation: theta=0.3076507782 (0.3076507782)
-931.41347043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4026550681 (a.u.)
total exchange computation time: 2.6984999180 s
-154.2223032411
Anderson extrapolation: theta=1.1672403394 (1.1672403394)
-931.41347066
-118.127411 68.633257 97.610889
559.828773 1031.793900 -409.274874
441.701362 1100.427156 -311.663985
1226.040154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1355327204
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4026668610 (a.u.)
total exchange computation time: 2.6983640194 s
679.44931785
-1084.67032793
89.69605576
-388.55305469
-174.93279495
78.76513267
551.60419304
0.00000000
-931.41347082
4.07243831 -31.41671823 -2.21179798
-0.00005371 -0.00040746 -0.00006212
-0.01014046 0.00221528 -0.01594446
-11.58533983 -1.46084025 -9.37509929
-0.00034253 0.00014698 -0.00023660
-0.00839065 -0.01901550 0.00768533
-37.53112974 2.41346244 0.23671432
-0.00000245 0.00019019 -0.00014227
0.00349784 0.01288670 -0.01058302
-11.76508678 -4.20646704 4.05269655
-0.00000129 -0.00002085 0.00013645
0.01696843 -0.00903489 -0.01093451
4.02633650 -4.09324876 8.79997769
-0.00022312 -0.00009240 -0.00048563
-0.00398573 0.00387580 0.01060419
-32.74285662 -0.30124744 0.03175234
-0.00059313 0.00016344 0.00048208
-0.00909449 0.03165115 0.00755708
14.30004924 12.47508255 -13.54051494
0.00013507 0.00001196 0.00020540
-0.03917607 0.01075700 -0.00023413
-7.75095927 6.08446140 2.68988811
0.00002377 -0.00007162 0.00002674
0.00000992 0.01249116 0.04236143
7.26124118 12.18251230 -6.14575188
-0.00014671 -0.00022069 -0.00039387
0.01765597 0.01483336 -0.01585526
8.81713340 9.91130005 -19.11226943
0.00012290 -0.00018110 -0.00020879
0.01411146 -0.00657008 0.00519730
23.18074106 17.34191469 -2.38381869
-0.00000417 0.00011875 -0.00025065
-0.00811369 0.00154369 0.00044619
2.08024089 16.85090267 -19.67205007
-0.00002710 0.00013695 0.00005316
-0.00959051 0.02429145 0.06604220
14.00890481 -0.90553784 -5.80766317
0.00009690 0.00009783 0.00006847
-0.00517081 -0.02742533 0.00389998
-16.08902065 -1.41140057 3.21718835
-0.00028419 -0.00017956 -0.00009051
-0.02135742 -0.00782316 0.00332535
-16.11256343 -2.28562818 18.77139149
0.00040174 -0.00032343 -0.00007043
-0.00184490 0.02173821 0.01689441
0.45686021 2.13735988 -4.67356048
-0.00011937 0.00007249 0.00023317
0.01543690 -0.02294204 -0.00207854
22.73690908 -7.09268985 -8.80867778
0.00001248 -0.00007868 -0.00001909
0.00773673 -0.00976685 -0.00372766
-0.74983981 -6.36894868 7.29737374
-0.00000441 -0.00018378 0.00001698
-0.02584538 -0.00719119 0.00787152
-1.78061106 -1.41650047 -19.35444342
-0.00021718 -0.00002761 -0.00001564
0.01024547 0.02339872 0.02505872
3.13214708 1.63180044 -9.23548885
-0.00006944 -0.00020151 0.00003582
0.00108320 0.02500753 -0.02107346
-3.61914086 17.73090828 12.33599022
0.00025236 0.00005632 0.00006215
0.03178172 -0.03116694 -0.00762567
-3.88835786 5.15537573 -11.24345448
-0.00004556 0.00021848 -0.00018551
0.00866814 -0.01537719 -0.00688901
-7.88769899 2.72207374 -8.87637152
-0.00010177 -0.00015490 0.00013553
0.00599548 0.01620089 -0.01700921
2.49269185 27.52817729 8.92362899
0.00018040 0.00005668 0.00028908
-0.01716463 0.00495914 0.04175444
9.43328714 -6.25273374 -1.74616643
-0.00033355 -0.00000787 0.00006485
0.00986631 -0.00932304 0.01165004
-8.66001335 0.73055263 6.18479635
-0.00005889 -0.00011862 0.00024559
-0.03032226 0.01019849 -0.00733646
20.51084342 10.92501023 8.71783856
0.00016774 0.00008391 -0.00004406
-0.00871465 0.00321404 -0.00870181
-1.98193894 -2.20389369 -27.60887769
0.00010579 -0.00012747 -0.00004625
0.03737028 -0.01851104 0.00501195
-14.18879417 6.16549622 8.04649855
0.00026493 0.00003301 0.00029605
0.01909793 -0.02180286 -0.00233518
-9.68111040 7.22180020 -2.04860429
-0.00028821 -0.00001006 0.00042350
0.01583639 0.00819620 -0.01654538
-1.76053870 -15.11993636 23.12398654
0.00007144 0.00032429 -0.00054198
-0.04705811 0.01523930 0.01133251
-2.76269181 6.29381444 -6.08671064
-0.00018324 -0.00011694 0.00014303
0.04531356 -0.01383024 -0.00156092
-20.37026467 30.18606496 4.18880791
-0.00030527 -0.00063278 0.00014124
-0.04198628 0.02708525 0.02692243
7.74725042 0.58685574 7.49967115
0.00014477 0.00056830 -0.00014876
0.01280556 -0.02171980 0.00360007
5.79298305 11.23226216 -13.41072785
0.00000602 -0.00056780 -0.00011130
-0.01501580 -0.00283993 -0.03194817
15.61285763 2.80946624 -1.66612259
0.00008806 0.00011232 0.00029051
-0.00846423 0.01927549 0.00443349
-4.45576055 13.06927266 -0.79249239
0.00001328 -0.00038881 0.00007784
-0.00458276 -0.00504551 0.01759544
4.79801875 12.55110872 2.54252902
-0.00000410 0.00025348 -0.00039684
-0.05501554 -0.00771522 0.00718037
25.06528397 -11.47761527 -9.85331037
-0.00021423 0.00019250 0.00027507
-0.00018697 0.00730510 0.00265183
16.86667914 -3.48317897 -0.76288667
0.00030678 0.00025416 -0.00007992
-0.00587357 -0.00298526 0.01753124
13.45488359 7.84183309 10.26559163
0.00047430 -0.00032555 0.00001765
-0.02835173 -0.00218586 0.00786444
1.74442260 -14.05120777 17.51945634
0.00021758 0.00013745 -0.00000699
0.02267595 0.02707270 0.01966376
-3.68747427 -0.68745994 -14.15899712
0.00017223 0.00001022 0.00013115
0.01578995 -0.02139246 -0.04500857
14.97472727 -7.54361699 -8.82808066
-0.00011067 -0.00028406 0.00004098
0.03257545 -0.00309469 -0.03663053
8.37789683 -6.97805868 8.97116973
0.00008011 0.00039705 -0.00001506
-0.01170292 0.00640297 0.01248329
-21.10657663 2.37289344 22.85149906
-0.00005575 0.00017317 0.00016578
-0.00138594 0.00834540 0.03877077
25.72470419 -3.09832721 -8.22902897
0.00009094 0.00012230 -0.00008061
0.00028053 -0.01541602 0.00289129
9.92159546 -13.93276074 -8.48819066
0.00008168 -0.00002208 -0.00038442
-0.00216679 0.03447028 -0.01734355
-6.69781488 -12.33098019 16.97894464
0.00015162 0.00033765 0.00004990
-0.00524015 0.00253049 -0.01385018
7.54962997 2.88056470 -29.32137693
-0.00040261 -0.00057638 -0.00003671
-0.00458720 0.01756019 0.00107413
11.06258605 15.70850245 15.40572100
-0.00024383 0.00040594 0.00024454
-0.05302647 0.01750944 0.04361446
28.79523300 6.34968952 -3.48089694
0.00024814 0.00022398 0.00002989
-0.01097658 0.01102224 0.01091838
5.28557597 -32.05192393 -3.43071941
-0.00009883 -0.00069085 -0.00039710
-0.00020475 0.00123014 -0.01034046
4.85570787 -31.55299662 -0.57262289
0.00010843 -0.00085720 0.00023827
-0.00076748 -0.00080054 0.01394677
-12.16877478 -3.22974941 -9.29934381
-0.00027789 0.00068511 -0.00072726
0.00158896 0.01638363 -0.00618866
-12.17479960 -0.63163622 -10.87663035
0.00073215 0.00039622 0.00018918
-0.00376942 -0.00626175 -0.00622373
-38.95363260 2.33249757 1.36094813
-0.00018863 0.00053993 0.00029673
-0.00378233 -0.00356677 0.00064594
-37.89899336 3.85750480 -0.85768707
0.00040801 -0.00068006 0.00063318
0.00329313 0.00091691 -0.00306747
-10.74035446 -5.52878010 3.15161570
-0.00060259 0.00084187 0.00036673
-0.01445650 0.01273878 0.01585573
-10.57590005 -2.80795243 4.18136806
-0.00003009 -0.00076422 0.00080704
-0.00597285 0.00055232 0.00173125
4.17689699 -2.30183461 8.38141209
-0.00051700 -0.00086140 0.00043196
0.00072408 -0.01108802 0.00458456
3.62034785 -4.14296163 10.63196474
-0.00019104 -0.00051976 -0.00054267
0.00970867 0.00488643 -0.01495271
-34.38203332 -1.12565507 0.16185932
-0.00100734 0.00044422 0.00037321
0.00849786 0.00737937 0.00003792
-33.15615111 1.51584016 0.45962335
-0.00048666 -0.00006563 -0.00106263
0.00141975 -0.03962766 -0.00842174
13.43311644 13.00579013 -15.06692889
-0.00150862 0.00096689 -0.00044064
-0.00555589 0.00105911 -0.00167926
15.95512601 12.54284204 -14.10542572
-0.00122568 -0.00034283 -0.00036215
0.04916566 -0.00541630 -0.00787642
-8.16650085 7.61297605 1.84198957
0.00083775 0.00010534 -0.00022885
-0.00247352 0.00727199 -0.01459983
-7.34985699 4.87606265 1.45232095
-0.00036863 0.00070934 0.00104566
0.00595611 -0.02173216 -0.02671978
6.24686855 12.42732990 -7.68173110
0.00031654 -0.00025269 -0.00015047
0.00430290 -0.00513240 0.01369963
8.73839942 13.39568981 -6.37245423
-0.00073105 -0.00021083 0.00065658
-0.01331593 -0.00517646 -0.00060545
8.80494113 8.38385422 -20.06239300
0.00074302 -0.00008204 0.00050308
-0.00614383 -0.01219764 -0.00619909
10.57094895 10.49161486 -19.25990232
-0.00029326 -0.00093906 0.00059159
-0.00693559 0.01049925 0.00213209
24.17249225 15.83157293 -2.77672784
0.00060235 -0.00027242 -0.00024121
0.00580188 -0.00044117 -0.00327968
24.07454743 18.79972387 -3.00850844
-0.00000741 -0.00006889 -0.00035945
0.02107768 -0.00568309 0.00568776
1.58211391 16.95210953 -21.33501194
-0.00019404 -0.00049847 -0.00007766
-0.00927191 -0.00309343 -0.05829152
3.41760546 15.68361738 -19.42936883
-0.00097658 0.00020438 -0.00009537
0.01590758 -0.01698426 -0.00305436
12.98304632 -1.82577759 -7.05447878
0.00059162 -0.00070015 -0.00007221
0.00765804 0.00889367 0.00025252
12.94752305 -1.04484826 -4.34146155
-0.00086227 -0.00032372 -0.00120320
0.00150495 0.00510817 0.00906573
-17.90300493 -1.86793496 3.09976398
0.00053005 0.00019466 0.00111840
0.02768530 -0.00627567 -0.00208437
-15.02209726 -2.86776582 2.80957872
-0.00016811 -0.00033531 0.00061999
-0.00756392 0.00251200 0.00904232
-16.37142264 -0.56774497 19.53487149
0.00136199 0.00012466 -0.00084615
0.01163496 -0.02623843 -0.00767435
-14.86855824 -3.17803231 19.83185534
0.00015136 0.00028561 -0.00043245
-0.01148552 0.00586189 -0.01111678
-0.23775085 0.42032964 -5.02587030
0.00044902 -0.00050432 -0.00028452
-0.00626971 0.01258728 0.00280380
-0.88200487 3.28298836 -5.07138756
0.00052068 0.00095070 -0.00026605
-0.01476759 0.01304331 -0.00251423
23.82255320 -8.55077577 -9.22664295
0.00048109 0.00111118 0.00022195
-0.01075891 -0.00965009 0.00082081
23.96012697 -5.86501865 -8.23284829
-0.00032633 -0.00025953 0.00029461
-0.00342786 0.01389151 0.00110182
-0.43935130 -6.25979041 5.52143475
-0.00090884 0.00030192 -0.00018676
0.01404546 0.00370347 -0.00781940
0.81338418 -6.30588599 8.21119455
0.00011942 0.00077762 -0.00041818
0.00934624 0.00811930 -0.00577880
-0.24670788 -2.35672785 -19.53427745
0.00076499 -0.00008344 -0.00006701
0.00005521 -0.01257712 -0.00301392
-3.06910248 -2.08599565 -20.39827315
0.00058370 -0.00033483 0.00005056
-0.00806459 -0.01582451 -0.02176062
2.87911518 3.19584667 -10.23948917
0.00002972 -0.00026791 0.00031518
0.00037356 -0.01768490 -0.00401197
1.92022209 1.74998242 -7.88814966
-0.00071668 0.00066836 0.00061311
-0.00769093 0.00761604 0.01796290
-2.03435559 16.52017267 12.37771581
0.00045433 -0.00030047 0.00030980
-0.03201286 0.02579113 -0.00172186
-3.43725895 18.50477447 13.96764262
0.00124669 0.00036810 -0.00012916
0.00602609 0.01436074 0.01181959
-5.46302262 6.11172382 -11.11806676
-0.00108552 0.00120979 -0.00048283
-0.00290100 -0.00680087 -0.01529164
-4.02279177 3.64581604 -12.36602240
0.00097003 -0.00087409 -0.00063857
-0.00274064 0.02718871 0.01501648
-7.80293359 1.31444094 -7.72331903
-0.00046637 -0.00013606 -0.00095911
-0.00499141 -0.00299940 0.01141765
-6.13854288 3.05370418 -9.29362264
0.00144298 -0.00044546 0.00051264
-0.00492982 0.00239678 0.00129122
3.00849874 27.50920347 7.23499659
-0.00046747 -0.00092849 0.00069794
0.00346430 0.00260302 -0.03187959
1.30265907 28.92604945 9.09322694
0.00021623 0.00050276 -0.00002144
0.00687524 -0.01033369 -0.00215543
10.56252339 -7.11662947 -0.52586702
0.00025505 0.00056955 0.00094145
-0.01118685 0.00720023 -0.01053462
8.32166637 -7.55650088 -2.39941005
-0.00056103 -0.00048751 0.00050640
0.00244875 0.00482031 0.00272158
-7.13164469 0.05753072 6.92954175
0.00004058 -0.00060370 0.00083375
0.00240071 -0.00439278 0.01429018
-10.23787898 0.56761257 7.18107474
0.00037414 0.00048270 -0.00036355
0.02627081 -0.01275762 -0.00460370
21.04783028 11.13405115 10.43776138
-0.00079283 0.00053041 -0.00004683
0.00524801 -0.00442549 0.00572054
20.36173124 12.67870956 8.13546399
-0.00002885 0.00071428 -0.00094108
0.00870944 -0.00195013 -0.00104191
-0.88428772 -3.33906220 -26.51599791
-0.00041631 -0.00035907 -0.00130246
-0.02146574 0.00300046 -0.02319454
-3.31454157 -1.93487116 -26.47090169
0.00041650 0.00042706 -0.00011987
-0.03368851 0.00852542 0.01761544
-13.47052814 6.93464620 9.52918846
0.00016923 -0.00081449 0.00054920
-0.00758227 0.00539319 0.00334003
-15.27176745 7.37710952 7.28587905
0.00044270 0.00032812 0.00037794
-0.00636259 0.01475852 0.00060997
-11.40615546 7.75988906 -2.04881755
-0.00044467 -0.00091402 0.00109813
-0.01033993 -0.00226089 -0.00618246
-8.85844441 8.11781102 -3.51844648
-0.00002622 -0.00019647 0.00021790
-0.00924924 -0.00607325 0.01778324
-1.03692578 -16.65159942 22.53173215
0.00084301 0.00024795 -0.00079199
0.01104302 -0.02427589 -0.00598827
-3.53276379 -15.55963188 23.64186405
-0.00128241 0.00030258 0.00061120
0.03154635 0.00688858 -0.00749296
-2.85591891 6.23034141 -7.89427778
-0.00035866 -0.00074064 -0.00003490
-0.00196602 -0.00412944 -0.01328574
-4.39205362 6.56328656 -5.51047410
0.00038910 -0.00009069 0.00111209
-0.04114790 0.01041736 0.01301212
-21.85957112 29.81322326 3.05021372
-0.00057320 -0.00013759 -0.00079756
0.01783606 -0.00278169 0.00233497
-21.40962320 31.00997274 5.59173565
-0.00014992 0.00034394 0.00012007
0.02719237 -0.01420628 -0.02358499
7.02988507 -0.17232978 5.91263783
0.00049231 -0.00094138 -0.00059886
0.00267190 0.01770295 0.00940569
7.20314197 2.25362644 7.93958728
-0.00027394 0.00036593 0.00062034
-0.00829022 0.00880117 -0.00916159
6.89706488 12.63530832 -12.94596854
-0.00007546 -0.00008006 0.00048470
0.01478561 0.00844846 -0.00285339
4.99249646 11.91554223 -14.95666430
0.00131131 -0.00025093 0.00116780
0.00629880 -0.01174066 0.01756862
14.21104265 3.94489839 -2.13955071
0.00004137 0.00011468 0.00081625
0.01070959 -0.00633685 -0.00205305
14.79462721 1.21498657 -1.39799869
0.00020530 0.00111862 0.00078572
-0.00108428 -0.00632865 -0.00160874
-2.97883900 12.24944601 -0.11556904
-0.00035612 -0.00080712 -0.00015612
0.00773218 0.00009693 -0.00776519
-5.60186479 12.90928494 0.69927539
-0.00050959 -0.00011415 -0.00058870
-0.00063079 0.00402498 -0.01840489
3.13791017 11.55017743 2.51959372
-0.00035187 0.00019410 -0.00097590
0.04281617 0.01310366 0.00725637
6.12551070 11.40242821 3.05560668
0.00053373 -0.00022887 0.00018473
0.01089156 -0.00712370 -0.00052578
25.19437065 -12.68897561 -8.46479254
0.00012756 -0.00095441 -0.00010097
0.00500300 0.00512746 -0.01287111
26.35882707 -11.42774376 -11.35398061
-0.00053192 -0.00000185 -0.00098524
-0.01494956 -0.01323030 0.02379418
15.71401835 -2.80932722 0.55688657
0.00102542 0.00024312 0.00010544
0.00779927 -0.02046287 -0.02227617
16.92677008 -5.36881264 -0.74179700
-0.00025593 0.00095000 -0.00009592
-0.00324466 0.02251724 0.00579381
12.02554344 8.09569700 11.52064665
-0.00031863 0.00054004 0.00022221
0.02348796 -0.01036232 -0.00451103
13.42948586 9.53820240 9.57005438
0.00065350 -0.00062122 -0.00032676
0.01511029 0.00269074 -0.00653118
0.03107505 -14.60447756 17.39506297
0.00020691 -0.00029167 -0.00053369
-0.01942153 -0.00808588 -0.00603291
1.71349136 -12.68515070 18.79168718
0.00100486 -0.00054297 0.00010702
0.00281592 -0.01128883 -0.01602396
-3.83285104 -1.78242368 -12.74116234
0.00070828 0.00087176 0.00026797
-0.00094780 -0.01263323 0.02134925
-2.79588918 -1.85337123 -15.43312857
0.00096210 -0.00061606 0.00085463
-0.02125283 0.03581434 0.02752556
14.78181486 -8.05447700 -10.65121944
-0.00016592 0.00040214 -0.00014405
-0.00261410 0.00413691 0.02916041
16.37679513 -6.16323614 -8.98507000
0.00078725 0.00035608 -0.00041183
-0.01742523 -0.01998989 -0.00175266
7.06607175 -5.77788930 8.47626563
0.00043281 0.00033414 0.00099596
-0.00511377 0.00285825 0.00611589
9.74360729 -6.54215862 7.91487844
0.00005162 -0.00036028 0.00080041
0.01943195 0.00448870 -0.01527412
-21.21711490 2.11763815 21.08169125
0.00131643 0.00020952 -0.00036389
-0.00846411 -0.00803074 -0.02451203
-22.39303321 1.39897130 23.80296150
0.00038000 -0.00032191 -0.00057938
0.00854247 0.00278155 -0.01827370
26.85672949 -2.89072665 -6.81849522
0.00039196 0.00036842 -0.00039628
0.00805521 0.00160190 0.00505672
25.45576470 -1.43164818 -8.93013584
0.00058720 0.00054617 -0.00032094
0.00049244 0.00843540 -0.00213914
10.02976567 -15.58503187 -7.90520710
-0.00004107 0.00010424 0.00023673
-0.00230656 -0.03699971 0.02012843
9.34873427 -12.79989687 -7.15453294
-0.00049948 0.00010340 -0.00061511
-0.00537370 -0.00403584 -0.00314195
-5.84658539 -11.32016191 18.20559962
-0.00005765 -0.00048746 -0.00034843
0.00845225 0.00794837 0.01759425
-6.76488362 -11.17516170 15.54543493
0.00024157 0.00034056 0.00000518
-0.00421020 -0.00405691 -0.00143789
8.64170656 1.47078949 -29.52117683
0.00088520 0.00094035 0.00021413
0.01154778 -0.01468301 -0.00200058
5.97172400 2.45629560 -30.18493452
-0.00068705 -0.00072789 -0.00056678
0.00050394 -0.00320299 0.00153834
12.57211166 15.06827319 14.65115535
0.00094284 0.00026196 0.00013046
0.03408582 -0.00536315 -0.01583613
11.43680597 16.17595638 17.17604281
0.00046828 0.00009663 -0.00104941
-0.00653589 -0.00635012 -0.01940552
29.12924357 5.16027565 -4.83092849
-0.00074990 0.00060409 -0.00059180
0.00390236 -0.00852261 -0.00523696
27.06262992 6.95258349 -3.81966599
-0.00011654 0.00035936 -0.00035570
0.00904928 -0.00507080 0.00143316
-9.95441088 5.01582380 6.47301575
-0.00000049 0.00027539 -0.00020240
0.00345597 0.00512804 0.00389428
-8.83908193 13.37092309 2.60379513
-0.00013562 0.00002699 0.00003196
0.00001072 -0.00405001 0.00373649
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09497534
0.31849548
424.37926507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4067478429 (a.u.)
total exchange computation time: 2.6561357975 s
-154.2203154119
-931.41051211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4063484730 (a.u.)
total exchange computation time: 2.6610548496 s
-154.2241969262
Anderson extrapolation: theta=1.3718274447 (1.3718274447)
-931.41070777
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4056907475 (a.u.)
total exchange computation time: 2.6602230072 s
-154.2301853197
Anderson extrapolation: theta=0.0585802569 (0.0585802569)
-931.41082966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4055652632 (a.u.)
total exchange computation time: 2.6582078934 s
-154.2310984065
Anderson extrapolation: theta=2.0469226586 (2.0000000000)
-931.41083540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4052879203 (a.u.)
total exchange computation time: 2.6620869637 s
-154.2330365603
Anderson extrapolation: theta=0.2415078479 (0.2415078479)
-931.41084241
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4052142524 (a.u.)
total exchange computation time: 2.6581320763 s
-154.2334832286
Anderson extrapolation: theta=1.5980792353 (1.5980792353)
-931.41084391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4051153683 (a.u.)
total exchange computation time: 2.6577129364 s
-154.2340091414
Anderson extrapolation: theta=0.3002130663 (0.3002130663)
-931.41084572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4051054515 (a.u.)
total exchange computation time: 2.6610479355 s
-154.2339863733
Anderson extrapolation: theta=1.2254586253 (1.2254586253)
-931.41084621
-118.150057 68.686425 97.555527
559.873595 1031.793842 -409.263731
441.723538 1100.480266 -311.708204
1226.107053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4051085010 (a.u.)
total exchange computation time: 2.5697770119 s
679.49812629
-1084.76626966
89.68714837
-388.48475367
-174.93998947
78.81892051
551.60419304
0.00000000
-931.41084664
4.07159359 -31.42282154 -2.21279128
-0.00005829 -0.00040657 -0.00007014
-0.00767703 0.00125418 -0.01526242
-11.59051018 -1.45870894 -9.37861857
-0.00034610 0.00013760 -0.00023169
-0.00547163 -0.01744298 0.01138421
-37.53115295 2.41636493 0.23453946
-0.00000091 0.00019506 -0.00014583
0.00246317 0.00606122 -0.00326009
-11.76504066 -4.20681467 4.05470109
0.00000605 -0.00002517 0.00013149
0.01155366 -0.00776567 -0.00832796
4.02297429 -4.09461978 8.79273416
-0.00022531 -0.00009219 -0.00047970
-0.00452732 -0.00304739 0.01243482
-32.75178870 -0.29867375 0.03901269
-0.00059804 0.00017867 0.00048566
-0.00997423 0.02757103 0.00637727
14.30192418 12.47530347 -13.53743481
0.00011086 0.00001826 0.00020393
-0.05499069 0.01375205 -0.00547831
-7.75060274 6.08343522 2.69045267
0.00002308 -0.00006286 0.00005037
-0.00267111 0.02160234 0.04949861
7.25910869 12.17925915 -6.15172107
-0.00013771 -0.00021367 -0.00040116
0.01731348 0.01247250 -0.01250301
8.81903128 9.90855827 -19.11538131
0.00012911 -0.00018413 -0.00020556
0.01005495 -0.00523243 0.00737786
23.18064727 17.34370194 -2.38757667
-0.00000776 0.00011833 -0.00025062
-0.00586375 -0.00318557 -0.00035179
2.07979736 16.85305070 -19.67099786
-0.00003340 0.00015054 0.00008611
-0.01488757 0.02855498 0.06205974
14.01033835 -0.90417622 -5.80662113
0.00009436 0.00008342 0.00006955
-0.00471649 -0.02860742 0.00031071
-16.09336583 -1.41412419 3.21584346
-0.00029335 -0.00018314 -0.00008853
-0.01426233 -0.00607718 0.00438442
-16.10654444 -2.29039578 18.77040021
0.00040008 -0.00031163 -0.00006248
-0.00462855 0.02413393 0.01403779
0.45512919 2.13835876 -4.67007094
-0.00011163 0.00006051 0.00023183
0.01466717 -0.02364201 -0.00313980
22.73712615 -7.09390768 -8.80897856
0.00001575 -0.00008298 -0.00002082
0.00498069 -0.00695084 -0.00299974
-0.75000568 -6.37173319 7.29765874
-0.00001786 -0.00018746 0.00002077
-0.02643286 -0.00708479 0.00687229
-1.78382922 -1.41682441 -19.35458143
-0.00020963 -0.00001618 -0.00000236
0.01910048 0.02107853 0.02660020
3.13110971 1.62887421 -9.23503277
-0.00007015 -0.00018870 0.00002659
-0.00384232 0.02479732 -0.01483421
-3.61523294 17.73163292 12.33689300
0.00026888 0.00004008 0.00005853
0.03248013 -0.03199781 -0.00642864
-3.88900781 5.15859368 -11.24626365
-0.00004283 0.00021056 -0.00018958
0.00195248 -0.01542428 -0.00895328
-7.88920237 2.71981275 -8.87440425
-0.00009631 -0.00014514 0.00012540
0.01520789 0.02173904 -0.02236577
2.49533165 27.52904665 8.92812628
0.00017096 0.00005969 0.00031179
-0.01953335 0.00674928 0.04656862
9.42832192 -6.25288774 -1.74514868
-0.00032822 -0.00001337 0.00007137
0.01086097 -0.01207868 0.01370665
-8.66101371 0.72881260 6.18845196
-0.00007245 -0.00011365 0.00024157
-0.02237564 0.00914292 -0.00830712
20.51332591 10.92628120 8.71714402
0.00016296 0.00008681 -0.00004954
-0.00987550 0.00810027 -0.01258284
-1.98020792 -2.20587710 -27.60955215
0.00012451 -0.00013633 -0.00004473
0.03541676 -0.01594291 0.00089936
-14.18474659 6.16590720 8.05093032
0.00027449 0.00002173 0.00029442
0.01808689 -0.02205035 -0.00399360
-9.68537252 7.22168093 -2.04231563
-0.00027961 -0.00000597 0.00041499
0.01761035 0.00770784 -0.01652943
-1.75964855 -15.11501323 23.11590060
0.00004583 0.00033107 -0.00053584
-0.05256248 0.01110710 0.01252159
-2.76526567 6.29200695 -6.08457116
-0.00015945 -0.00012416 0.00014172
0.04721083 -0.01423545 -0.00355291
-20.37500563 30.17667772 4.19103040
-0.00032743 -0.00061875 0.00015474
-0.04419855 0.02748524 0.02556538
7.74947132 0.59529647 7.49745361
0.00015111 0.00055672 -0.00014759
0.01187820 -0.02332306 0.00096317
5.79301540 11.22373425 -13.41252056
0.00000010 -0.00056922 -0.00012529
-0.00798428 -0.00267863 -0.02245249
15.61414594 2.81122533 -1.66174788
0.00008452 0.00012364 0.00029254
-0.00532919 0.02477119 0.00346657
-4.45557898 13.06342110 -0.79125691
0.00001080 -0.00039114 0.00008632
-0.00507581 -0.00404805 0.01537521
4.79774511 12.55488116 2.53660418
-0.00003140 0.00024836 -0.00039278
-0.05118046 -0.01219501 0.00857647
25.06206973 -11.47469955 -9.84917407
-0.00021370 0.00019565 0.00027644
0.00225183 0.00491964 0.00267043
16.87125817 -3.47937801 -0.76401781
0.00030404 0.00025349 -0.00007128
-0.00479321 0.00037371 0.01605020
13.46188873 7.83694139 10.26588671
0.00045905 -0.00032670 0.00002237
-0.03095706 -0.00230126 0.01048931
1.74777377 -14.04904162 17.51942732
0.00022902 0.00015045 0.00000243
0.02179542 0.02348319 0.01696167
-3.68482991 -0.68738913 -14.15720350
0.00018062 -0.00000051 0.00010732
0.01685051 -0.02034681 -0.04764882
14.97319282 -7.54788978 -8.82760721
-0.00009317 -0.00028479 0.00002217
0.03549029 0.00024841 -0.03654425
8.37905340 -6.97207816 8.97099195
0.00007351 0.00039910 -0.00000736
-0.01397936 0.00155324 0.01745826
-21.10741829 2.37552319 22.85413527
-0.00005597 0.00017776 0.00018426
0.00052762 0.00951012 0.03308940
25.72606935 -3.09655215 -8.23022701
0.00009098 0.00011509 -0.00007945
-0.00013481 -0.01261376 0.00161635
9.92281231 -13.93295902 -8.49402387
0.00008054 -0.00000477 -0.00039310
-0.00226120 0.03285545 -0.01638641
-6.69556077 -12.32590575 16.97963976
0.00014809 0.00033794 0.00004162
-0.00850761 -0.00136760 -0.01836702
7.54357314 2.87198675 -29.32192351
-0.00040619 -0.00056663 -0.00003630
-0.00935250 0.02033888 0.00054271
11.05872407 15.71465907 15.40955740
-0.00026931 0.00041365 0.00026416
-0.04604734 0.01247768 0.03267743
28.79891282 6.35309170 -3.48040640
0.00024174 0.00022977 0.00003502
-0.01393542 0.01152067 0.00900170
5.28408719 -32.06224895 -3.43699279
-0.00010243 -0.00068409 -0.00043618
-0.00155596 0.00207654 -0.00878866
4.85731077 -31.56587908 -0.56862143
0.00010319 -0.00085966 0.00029027
-0.00179822 -0.00040528 0.01150405
-12.17289441 -3.21897074 -9.31044236
-0.00027380 0.00074475 -0.00075198
0.00041188 0.01281086 -0.00591380
-12.16393279 -0.62588487 -10.87398340
0.00071369 0.00037500 0.00015584
-0.00526659 -0.00412571 -0.01009574
-38.95657799 2.34048728 1.36541894
-0.00019883 0.00052532 0.00029527
-0.00121123 -0.00358511 -0.00136305
-37.89277235 3.84733205 -0.84828343
0.00041806 -0.00066272 0.00061011
0.00162835 0.00756976 -0.00822096
-10.74983627 -5.51576174 3.15760256
-0.00065557 0.00088471 0.00042542
-0.01147788 0.00823405 0.01287179
-10.57653443 -2.81939883 4.19352664
-0.00004977 -0.00075501 0.00081477
-0.00366056 0.00395671 0.00205624
4.16916421 -2.31509544 8.38803204
-0.00051261 -0.00089187 0.00044631
0.00142533 -0.00382686 0.00243854
3.61777976 -4.15060834 10.62336648
-0.00015182 -0.00050014 -0.00060229
0.00948695 0.00471774 -0.01423326
-34.39688299 -1.11876566 0.16745865
-0.00096941 0.00047554 0.00037317
0.01006657 0.00795343 -0.00006042
-33.16340753 1.51364144 0.44342582
-0.00048231 -0.00022016 -0.00109424
0.00071178 -0.03601722 -0.00704938
13.41031683 13.02032592 -15.07359002
-0.00151864 0.00096406 -0.00042896
0.00065395 -0.00244580 0.00739675
15.93824742 12.53753356 -14.11109939
-0.00100509 -0.00036409 -0.00040275
0.05881301 -0.00498886 -0.01199441
-8.15401045 7.61477900 1.83810947
0.00082780 0.00013374 -0.00028703
-0.00239620 0.00662813 -0.01387948
-7.35520394 4.88603686 1.46718712
-0.00033897 0.00060375 0.00092040
0.00856517 -0.02995785 -0.03459738
6.25174854 12.42338230 -7.68356832
0.00033016 -0.00027266 -0.00010026
0.00236096 -0.00464197 0.01087569
8.72702559 13.39236881 -6.36262403
-0.00078094 -0.00022857 0.00065277
-0.01110617 -0.00351093 -0.00125916
8.81589823 8.38224980 -20.05503671
0.00071654 -0.00013871 0.00047386
-0.00682240 -0.01554351 -0.00810522
10.56633752 10.47785070 -19.25096308
-0.00031251 -0.00089175 0.00059992
-0.00248827 0.01266086 0.00194505
24.18170530 15.82747309 -2.78044647
0.00062115 -0.00026725 -0.00025221
0.00339807 0.00297444 -0.00210787
24.07508212 18.79851644 -3.01372592
0.00007894 -0.00009039 -0.00033665
0.02119275 -0.00484411 0.00547209
1.57891917 16.94453767 -21.33796312
-0.00023102 -0.00051104 -0.00031055
-0.00882800 -0.00305920 -0.05570990
3.40344414 15.68616263 -19.43089301
-0.00090182 0.00012661 -0.00010529
0.02068838 -0.02108288 -0.00179926
12.99215533 -1.83600734 -7.05555426
0.00062519 -0.00066238 -0.00007051
0.00877400 0.00959487 0.00058003
12.93463518 -1.04954759 -4.35923177
-0.00085942 -0.00030253 -0.00115913
-0.00011296 0.00526601 0.01250918
-17.89420589 -1.86520735 3.11647612
0.00063013 0.00016542 0.00110839
0.02130827 -0.00803965 -0.00281553
-15.02485074 -2.87271857 2.81915571
-0.00019955 -0.00032490 0.00065650
-0.00782661 0.00258795 0.00882700
-16.35063627 -0.56667916 19.52194403
0.00140813 0.00001806 -0.00087716
0.01095215 -0.02593991 -0.00750556
-14.86663979 -3.17356855 19.82502791
0.00011115 0.00030403 -0.00047260
-0.00819522 0.00315378 -0.00853556
-0.23120771 0.41315058 -5.03005216
0.00042302 -0.00044743 -0.00027209
-0.00645761 0.01526053 0.00327955
-0.87464727 3.29764859 -5.07545540
0.00046192 0.00099988 -0.00027551
-0.01399277 0.01103170 -0.00211375
23.82943993 -8.53440375 -9.22328849
0.00044095 0.00106276 0.00022266
-0.00889194 -0.01405059 -0.00047644
23.95512694 -5.86848598 -8.22839542
-0.00033858 -0.00019913 0.00030067
-0.00256742 0.01567722 0.00186417
-0.45255350 -6.25514806 5.51839377
-0.00085136 0.00031701 -0.00021696
0.01409195 0.00368364 -0.00696280
0.81546189 -6.29397292 8.20474480
0.00015857 0.00081065 -0.00044189
0.00981674 0.00805075 -0.00582866
-0.23523130 -2.35836487 -19.53537502
0.00075326 -0.00012736 -0.00007774
-0.00579717 -0.00892353 -0.00223821
-3.06059408 -2.09150296 -20.39818157
0.00054516 -0.00040228 -0.00004294
-0.01080314 -0.01719445 -0.02401016
2.87957247 3.19128611 -10.23488446
0.00003122 -0.00033722 0.00029589
0.00036146 -0.01624339 -0.00542704
1.90923622 1.76024113 -7.87840253
-0.00073805 0.00069735 0.00067672
-0.00277167 0.00657605 0.01317511
-2.02852165 16.51645595 12.38230999
0.00032225 -0.00019463 0.00030164
-0.03263910 0.02601798 -0.00227019
-3.41837400 18.51073599 13.96606745
0.00127005 0.00042657 -0.00008173
0.00541098 0.01426145 0.01139593
-5.47939437 6.12966232 -11.12577776
-0.00108267 0.00117106 -0.00054726
0.00429867 -0.01215748 -0.01625011
-4.00832530 3.63353782 -12.37514076
0.00095744 -0.00075244 -0.00057036
-0.00342439 0.03235841 0.01837060
-7.81008214 1.31230810 -7.73735574
-0.00048676 -0.00015631 -0.00090582
-0.00498725 -0.00691147 0.01466619
-6.11704925 3.04709575 -9.28589344
0.00140408 -0.00043807 0.00052141
-0.01411351 0.00122066 0.00300290
3.00159290 27.49535588 7.24448886
-0.00045078 -0.00091839 0.00055823
0.00470439 0.00234143 -0.03651053
1.30611318 28.93327427 9.09283923
0.00024668 0.00045754 -0.00003057
0.00803025 -0.01180367 -0.00231048
10.56600640 -7.10786559 -0.51206805
0.00020365 0.00060148 0.00089223
-0.01397486 0.00842960 -0.01356181
8.31332592 -7.56366579 -2.39173064
-0.00054746 -0.00046464 0.00051997
0.00419489 0.00637387 0.00392231
-7.13096237 0.04834061 6.94248589
0.00004373 -0.00061812 0.00088812
-0.00085981 -0.00266589 0.01232642
-10.23146185 0.57446217 7.17548042
0.00047213 0.00042946 -0.00037640
0.02169599 -0.01330615 -0.00168487
21.03609864 11.14187173 10.43723425
-0.00077037 0.00051325 -0.00002018
0.00574547 -0.00397410 0.00732603
20.36156545 12.68936406 8.12131589
0.00000813 0.00069530 -0.00094052
0.00938872 -0.00734150 0.00131378
-0.89119008 -3.34435624 -26.53624555
-0.00049821 -0.00035177 -0.00139044
-0.01862803 0.00057080 -0.01987505
-3.30932633 -1.92820402 -26.47216001
0.00027769 0.00046212 -0.00004624
-0.03425981 0.00863609 0.01843015
-13.46822198 6.92259413 9.53752881
0.00013911 -0.00079088 0.00056513
-0.00716298 0.00616408 0.00445891
-15.26532186 7.38248363 7.29156682
0.00041760 0.00038734 0.00038165
-0.00592677 0.01422680 0.00120677
-11.41314240 7.74610955 -2.03253501
-0.00048771 -0.00092190 0.00107124
-0.01072580 -0.00159664 -0.00698323
-8.85912114 8.11467783 -3.51463304
-0.00006658 -0.00022121 0.00029174
-0.01050644 -0.00603450 0.01836368
-1.02394231 -16.64862409 22.51966878
0.00088228 0.00015502 -0.00081276
0.00818339 -0.02121378 -0.00417882
-3.55103321 -15.55488206 23.65080244
-0.00113624 0.00033236 0.00057463
0.04000219 0.00769009 -0.01040670
-2.86135901 6.21910532 -7.89520842
-0.00036820 -0.00075700 -0.00008555
-0.00270666 -0.00387993 -0.01150851
-4.38747806 6.56224537 -5.49339401
0.00021917 -0.00004792 0.00116508
-0.04203043 0.01051846 0.01292836
-21.86762252 29.81107411 3.03832190
-0.00049634 -0.00014752 -0.00078285
0.01978347 -0.00207860 0.00486262
-21.41103875 31.01469655 5.59281403
-0.00003842 0.00028372 0.00002131
0.02738700 -0.01527435 -0.02476190
7.03735163 -0.18590800 5.90394309
0.00050454 -0.00086324 -0.00055351
0.00331475 0.02054753 0.01279375
7.19877879 2.25938511 7.94861162
-0.00030784 0.00039924 0.00058071
-0.00830496 0.00750572 -0.01023498
6.89638610 12.63436627 -12.93878553
-0.00001834 -0.00005120 0.00047269
0.01317466 0.00568039 -0.00302414
5.01235917 11.91141855 -14.93860890
0.00132626 -0.00029229 0.00122055
0.00101704 -0.00850575 0.00824944
14.21199143 3.94642442 -2.12736983
0.00008442 0.00009036 0.00080714
0.01036373 -0.00556819 -0.00240909
14.79767344 1.23157193 -1.38626227
0.00019511 0.00107933 0.00078116
-0.00390199 -0.01290192 -0.00062086
-2.98394393 12.23734218 -0.11814874
-0.00032285 -0.00080818 -0.00018598
0.00855624 -0.00061511 -0.00685339
-5.60952795 12.90769600 0.68988089
-0.00051260 -0.00009828 -0.00066101
-0.00084087 0.00374508 -0.01699205
3.13394410 11.55349043 2.50517751
-0.00017445 0.00024844 -0.00094514
0.04403321 0.01349966 0.00780505
6.13385043 11.39877686 3.05836156
0.00056829 -0.00025028 0.00017872
0.00602235 -0.00335732 -0.00241967
25.19643738 -12.70313464 -8.46670153
0.00014702 -0.00092832 -0.00015851
0.00452080 0.00764596 -0.01529515
26.35039016 -11.42817694 -11.36803006
-0.00059576 -0.00005611 -0.00088345
-0.01630294 -0.01333064 0.02603321
15.72963866 -2.80630753 0.55778551
0.00105406 0.00016178 0.00001743
0.00622143 -0.01935196 -0.02080447
16.92283167 -5.35387259 -0.74305830
-0.00026845 0.00103284 -0.00007246
-0.00288509 0.01802980 0.00568949
12.02148376 8.10348005 11.52384151
-0.00021725 0.00049619 0.00019964
0.02613609 -0.01110248 -0.00653339
13.43975146 9.52896654 9.56495290
0.00071532 -0.00060810 -0.00035413
0.01515102 0.00373235 -0.00686687
0.03358355 -14.60910039 17.38687271
0.00013091 -0.00032211 -0.00055696
-0.01777953 -0.00681627 -0.00535647
1.72865058 -12.69364118 18.79280146
0.00101422 -0.00058439 0.00004571
0.00176546 -0.00898465 -0.01399018
-3.82225588 -1.76973441 -12.73648853
0.00070340 0.00081642 0.00036110
-0.00144224 -0.01445670 0.02423592
-2.78210898 -1.86151462 -15.41946558
0.00087369 -0.00046817 0.00096661
-0.02202384 0.03657923 0.02728462
14.77924602 -8.04831816 -10.65248657
-0.00017728 0.00041749 -0.00002582
-0.00294867 0.00337543 0.02871411
16.38806993 -6.15850741 -8.99130121
0.00071160 0.00027038 -0.00041757
-0.01960655 -0.02196215 -0.00105432
7.07240715 -5.77278968 8.49139251
0.00040760 0.00035100 0.00101741
-0.00722448 0.00539863 0.00438236
9.74497710 -6.54742522 7.92641653
0.00013895 -0.00033854 0.00073109
0.02331536 0.00615139 -0.01865700
-21.19762779 2.12053488 21.07548182
0.00128201 0.00017751 -0.00045534
-0.00838723 -0.00763957 -0.02025726
-22.38707142 1.39422785 23.79371087
0.00041052 -0.00031320 -0.00065132
0.00639899 0.00148316 -0.01694233
26.86285578 -2.88515125 -6.82428440
0.00042515 0.00037419 -0.00037514
0.00819120 0.00122360 0.00529149
25.46458774 -1.42319713 -8.93501548
0.00058952 0.00057496 -0.00032770
0.00064271 0.00565765 -0.00116950
10.02907888 -15.58460203 -7.90103938
-0.00005050 -0.00004375 0.00031751
-0.00230597 -0.03544092 0.01941432
9.34107739 -12.79846950 -7.16385583
-0.00052090 0.00008717 -0.00062864
-0.00511073 -0.00391173 -0.00348333
-5.84719108 -11.32723020 18.20091225
-0.00001674 -0.00044727 -0.00026747
0.01157079 0.01172113 0.02203766
-6.76138913 -11.17017764 15.54546854
0.00022437 0.00032378 -0.00000020
-0.00420552 -0.00415701 -0.00119583
8.65533843 1.48444481 -29.51802612
0.00093486 0.00087495 0.00020418
0.01276173 -0.01733035 -0.00287059
5.96143363 2.44527906 -30.19338909
-0.00067777 -0.00074116 -0.00055731
0.00403972 -0.00329128 0.00309695
12.58729882 15.07203826 14.65262696
0.00106718 0.00024562 0.00007068
0.02677670 -0.00263554 -0.01342763
11.44362994 16.17721121 17.15970701
0.00044315 0.00007539 -0.00111241
-0.00576879 -0.00404434 -0.01143572
29.11811473 5.16907586 -4.83996602
-0.00073235 0.00056908 -0.00061191
0.00468773 -0.00861362 -0.00460507
27.06115912 6.95781846 -3.82495765
-0.00007485 0.00033782 -0.00034748
0.01135641 -0.00546954 0.00259370
-9.95440897 5.01996846 6.46999026
0.00000074 0.00027718 -0.00020097
0.00343396 0.00487603 0.00409260
-8.84111617 13.37132088 2.60428105
-0.00013561 0.00002605 0.00003286
0.00006552 -0.00406165 0.00400948
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09489916
0.31594748
420.98417599
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4091948902 (a.u.)
total exchange computation time: 2.5679638386 s
-154.2300876135
-931.40702508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4087181958 (a.u.)
total exchange computation time: 2.5692100525 s
-154.2346189309
Anderson extrapolation: theta=1.3519256957 (1.3519256957)
-931.40721967
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4079646944 (a.u.)
total exchange computation time: 2.5683739185 s
-154.2414360259
Anderson extrapolation: theta=0.0516503807 (0.0516503807)
-931.40733640
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4078389763 (a.u.)
total exchange computation time: 2.5692079067 s
-154.2423742455
Anderson extrapolation: theta=1.9154594372 (1.9154594372)
-931.40734065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4075692631 (a.u.)
total exchange computation time: 2.5697519779 s
-154.2443112296
Anderson extrapolation: theta=0.2140515585 (0.2140515585)
-931.40734490
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4075005637 (a.u.)
total exchange computation time: 2.5703799725 s
-154.2447391462
Anderson extrapolation: theta=1.8781686984 (1.8781686984)
-931.40734565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4073884585 (a.u.)
total exchange computation time: 2.5681979656 s
-154.2453663528
Anderson extrapolation: theta=0.2835673789 (0.2835673789)
-931.40734654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4073749168 (a.u.)
total exchange computation time: 2.5690779686 s
-154.2453712182
Anderson extrapolation: theta=1.3224858314 (1.3224858314)
-931.40734677
-118.171781 68.739276 97.498444
559.920845 1031.792183 -409.255248
441.749064 1100.531459 -311.756804
1226.174552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4073714723 (a.u.)
total exchange computation time: 2.6142508984 s
679.54428878
-1084.85754610
89.67901939
-388.41911602
-174.94662153
78.87041806
551.60419304
0.00000000
-931.40734695
4.07068965 -31.42891518 -2.21390232
-0.00006157 -0.00040617 -0.00007777
-0.00508759 0.00027761 -0.01439651
-11.59572273 -1.45671219 -9.38205003
-0.00034816 0.00012919 -0.00022495
-0.00254956 -0.01525417 0.01482819
-37.53115716 2.41931417 0.23233946
0.00000011 0.00019636 -0.00014558
0.00153564 -0.00100498 0.00422013
-11.76490542 -4.20722222 4.05664138
0.00001046 -0.00002868 0.00012799
0.00560335 -0.00587520 -0.00528918
4.01957715 -4.09601431 8.78558655
-0.00022776 -0.00009564 -0.00047293
-0.00498033 -0.01038776 0.01390165
-32.76079774 -0.29588736 0.04632225
-0.00060328 0.00019159 0.00048859
-0.01041441 0.02267407 0.00499451
14.30337489 12.47563049 -13.53439695
0.00007923 0.00002606 0.00019990
-0.06797178 0.01658033 -0.01018601
-7.75026681 6.08257570 2.69139910
0.00002108 -0.00004954 0.00007735
-0.00511810 0.03019729 0.05542346
7.25710977 12.17610221 -6.15778672
-0.00012892 -0.00020794 -0.00040664
0.01686914 0.00981448 -0.00880380
8.82100672 9.90577612 -19.11843626
0.00013317 -0.00018660 -0.00020130
0.00572019 -0.00435341 0.00919946
23.18050825 17.34546461 -2.39133736
-0.00001017 0.00011554 -0.00025101
-0.00352005 -0.00768136 -0.00114851
2.07923897 16.85541901 -19.66946688
-0.00004241 0.00016620 0.00011643
-0.02015374 0.03231612 0.05587177
14.01173550 -0.90303530 -5.80557670
0.00009207 0.00006845 0.00006892
-0.00418733 -0.02959384 -0.00273949
-16.09782105 -1.41689469 3.21453239
-0.00029866 -0.00018575 -0.00008603
-0.00640135 -0.00406457 0.00536064
-16.10056117 -2.29497719 18.76951722
0.00039692 -0.00029871 -0.00005612
-0.00764150 0.02612874 0.01067283
0.45351132 2.13917525 -4.66660563
-0.00010439 0.00004838 0.00022991
0.01347890 -0.02355081 -0.00433388
22.73738165 -7.09517913 -8.80930249
0.00001757 -0.00008577 -0.00002218
0.00210033 -0.00390988 -0.00227613
-0.75037548 -6.37457236 7.29799676
-0.00003149 -0.00019106 0.00002398
-0.02657592 -0.00694243 0.00562233
-1.78690003 -1.41698574 -19.35451422
-0.00019783 -0.00000599 0.00001154
0.02678962 0.01852899 0.02743979
3.13004269 1.62613929 -9.23469112
-0.00007337 -0.00017608 0.00002062
-0.00868082 0.02429321 -0.00838108
-3.61107444 17.73211070 12.33774619
0.00028562 0.00002362 0.00005567
0.03262778 -0.03200586 -0.00468608
-3.88964270 5.16169264 -11.24914189
-0.00004334 0.00020273 -0.00019458
-0.00394937 -0.01504308 -0.01050058
-7.89058843 2.71771946 -8.87260952
-0.00008638 -0.00013268 0.00011269
0.02341523 0.02673583 -0.02706393
2.49782076 27.52996808 8.93298282
0.00016054 0.00006353 0.00033654
-0.02100657 0.00817816 0.04967198
9.42344049 -6.25313492 -1.74402519
-0.00032244 -0.00002016 0.00007888
0.01161155 -0.01430081 0.01546263
-8.66218670 0.72714311 6.19204348
-0.00008171 -0.00010925 0.00023699
-0.01365088 0.00797157 -0.00949442
20.51573222 10.92761467 8.71635242
0.00015762 0.00009211 -0.00005688
-0.01087225 0.01250245 -0.01596948
-1.97820366 -2.20798351 -27.61021967
0.00014178 -0.00014365 -0.00004517
0.03172525 -0.01254988 -0.00261441
-14.18055947 6.16614806 8.05533129
0.00028346 0.00001045 0.00029192
0.01679496 -0.02181029 -0.00574807
-9.68949878 7.22162112 -2.03615449
-0.00027028 -0.00000215 0.00040660
0.01869809 0.00713868 -0.01612719
-1.75916390 -15.11000440 23.10791126
0.00001787 0.00033564 -0.00052927
-0.05614603 0.00667175 0.01303782
-2.76747531 6.29008964 -6.08245909
-0.00013520 -0.00013152 0.00013949
0.04709514 -0.01436936 -0.00511661
-20.38008756 30.16750253 4.19345012
-0.00035050 -0.00060460 0.00016744
-0.04552387 0.02754996 0.02380274
7.75178384 0.60355726 7.49524350
0.00015699 0.00054446 -0.00014764
0.01098991 -0.02433497 -0.00117452
5.79298616 11.21518567 -13.41448648
-0.00000205 -0.00057067 -0.00013411
-0.00040931 -0.00296129 -0.01184474
15.61539313 2.81317552 -1.65734642
0.00008263 0.00013768 0.00029409
-0.00202134 0.02980743 0.00257127
-4.45543656 13.05753831 -0.78990282
0.00000815 -0.00039298 0.00009358
-0.00522128 -0.00307325 0.01285990
4.79707662 12.55855952 2.53074550
-0.00005653 0.00024106 -0.00038800
-0.04650658 -0.01620764 0.01000716
25.05887286 -11.47174589 -9.84501717
-0.00021200 0.00019761 0.00027780
0.00437364 0.00271191 0.00263134
16.87580021 -3.47557418 -0.76502512
0.00030195 0.00025464 -0.00006354
-0.00330292 0.00408367 0.01406869
13.46865505 7.83203194 10.26626271
0.00044261 -0.00032790 0.00002830
-0.03295527 -0.00233900 0.01258399
1.75129309 -14.04669431 17.51952916
0.00023982 0.00016143 0.00001032
0.02020322 0.01921765 0.01372850
-3.68205556 -0.68747529 -14.15577749
0.00018940 -0.00001072 0.00008255
0.01728291 -0.01933117 -0.04869023
14.97193216 -7.55216066 -8.82741569
-0.00007429 -0.00028388 0.00000359
0.03791349 0.00328124 -0.03569575
8.38010212 -6.96608566 8.97094886
0.00006594 0.00039874 0.00000271
-0.01547155 -0.00295730 0.02169327
-21.10825588 2.37822631 22.85702674
-0.00005514 0.00018299 0.00019952
0.00273100 0.01081080 0.02628564
25.72743348 -3.09487440 -8.23141259
0.00009085 0.00010937 -0.00007890
-0.00034092 -0.00966184 0.00053147
9.92401172 -13.93290383 -8.49998351
0.00007939 0.00001127 -0.00040113
-0.00223660 0.02953409 -0.01487654
-6.69337230 -12.32084187 16.98019318
0.00014296 0.00033633 0.00003116
-0.01142345 -0.00489732 -0.02228726
7.53744415 2.86356572 -29.32246590
-0.00041201 -0.00055568 -0.00003616
-0.01326800 0.02225443 0.00000995
11.05450684 15.72091195 15.41364589
-0.00029117 0.00041868 0.00027788
-0.03898810 0.00707925 0.02066358
28.80248513 6.35658276 -3.47984641
0.00023394 0.00023572 0.00003910
-0.01638496 0.01159607 0.00686332
5.28250305 -32.07244670 -3.44380479
-0.00011158 -0.00067383 -0.00046873
-0.00292256 0.00294800 -0.00714720
4.85880346 -31.57878638 -0.56391492
0.00009354 -0.00086043 0.00033171
-0.00292136 0.00002671 0.00878525
-12.17698880 -3.20740695 -9.32190336
-0.00027486 0.00078868 -0.00077552
-0.00093287 0.00869337 -0.00560848
-12.15338876 -0.62038637 -10.87195517
0.00068946 0.00036239 0.00010716
-0.00659603 -0.00204623 -0.01373203
-38.95959760 2.34825726 1.36980620
-0.00019861 0.00051063 0.00028559
0.00132117 -0.00360605 -0.00337624
-37.88645155 3.83762322 -0.83938363
0.00042120 -0.00061769 0.00056567
-0.00009158 0.01446995 -0.01353541
-10.76002152 -5.50223875 3.16437827
-0.00069537 0.00090786 0.00047091
-0.00800283 0.00309801 0.00939835
-10.57739315 -2.83060273 4.20581124
-0.00005989 -0.00073189 0.00082394
-0.00129307 0.00736129 0.00243172
4.16151877 -2.32859080 8.39480144
-0.00050532 -0.00089168 0.00045175
0.00214240 0.00392045 0.00022255
3.61579310 -4.15796591 10.61389592
-0.00011375 -0.00048137 -0.00065807
0.00914940 0.00447172 -0.01307061
-34.41111570 -1.11138882 0.17305427
-0.00092571 0.00050872 0.00037276
0.01132672 0.00828864 -0.00013836
-33.17062033 1.50923537 0.42679627
-0.00048118 -0.00035779 -0.00111997
-0.00015781 -0.03135346 -0.00554834
13.38755729 13.03471182 -15.07979782
-0.00150402 0.00094742 -0.00038250
0.00650409 -0.00569589 0.01534841
15.92497326 12.53191933 -14.11750816
-0.00075011 -0.00038385 -0.00045887
0.06600058 -0.00468453 -0.01547769
-8.14166690 7.61698816 1.83337875
0.00081834 0.00015866 -0.00034176
-0.00223404 0.00557086 -0.01291397
-7.36002597 4.89417508 1.47993294
-0.00029928 0.00046643 0.00076499
0.01086016 -0.03726041 -0.04147894
6.25677323 12.41915022 -7.68473902
0.00033542 -0.00029047 -0.00006231
0.00021640 -0.00407696 0.00770122
8.71497110 13.38883263 -6.35287100
-0.00082124 -0.00023903 0.00064632
-0.00862012 -0.00160774 -0.00190223
8.82643721 8.37969277 -20.04817716
0.00068745 -0.00020802 0.00043753
-0.00741406 -0.01838019 -0.00967960
10.56157359 10.46486247 -19.24190464
-0.00031327 -0.00083567 0.00060752
0.00211825 0.01478867 0.00177318
24.19112660 15.82355553 -2.78429429
0.00063021 -0.00024853 -0.00025850
0.00103917 0.00618716 -0.00097084
24.07691563 18.79701213 -3.01860804
0.00016545 -0.00010865 -0.00031465
0.02115526 -0.00409345 0.00529998
1.57518340 16.93677833 -21.34432854
-0.00026476 -0.00052355 -0.00052811
-0.00768830 -0.00306212 -0.05078791
3.39055074 15.68741580 -19.43252746
-0.00080904 0.00003326 -0.00011031
0.02473226 -0.02461379 -0.00065950
13.00180206 -1.84564906 -7.05659419
0.00066287 -0.00062212 -0.00006779
0.00967145 0.01011599 0.00075464
12.92174038 -1.05392418 -4.37623535
-0.00086295 -0.00028073 -0.00110181
-0.00161479 0.00540486 0.01554992
-17.88410094 -1.86297246 3.13301571
0.00070226 0.00012862 0.00109560
0.01399734 -0.00997269 -0.00344794
-15.02808387 -2.87751271 2.82927366
-0.00023179 -0.00031439 0.00069203
-0.00795434 0.00255489 0.00856614
-16.32917867 -0.56720311 19.50855658
0.00145124 -0.00008597 -0.00090701
0.01014930 -0.02498682 -0.00710476
-14.86522360 -3.16891151 19.81767738
0.00008509 0.00031088 -0.00050164
-0.00456266 0.00020173 -0.00568216
-0.22506033 0.40690677 -5.03403303
0.00039612 -0.00038040 -0.00025782
-0.00671134 0.01754840 0.00370811
-0.86814723 3.31298490 -5.07965279
0.00040735 0.00104003 -0.00028298
-0.01271800 0.00861986 -0.00154470
23.83578170 -8.51889283 -9.21996322
0.00040869 0.00099674 0.00021818
-0.00689939 -0.01827024 -0.00171365
23.94996956 -5.87099252 -8.22382830
-0.00034765 -0.00013203 0.00030960
-0.00187039 0.01716926 0.00250699
-0.46489206 -6.25027996 5.51492607
-0.00079391 0.00033198 -0.00024292
0.01402860 0.00364113 -0.00574529
0.81814122 -6.28156644 8.19793783
0.00019898 0.00084336 -0.00046603
0.00996362 0.00795990 -0.00598594
-0.22411001 -2.36054878 -19.53660976
0.00071829 -0.00015677 -0.00008529
-0.01132163 -0.00547196 -0.00145411
-3.05274776 -2.09806406 -20.39956148
0.00049714 -0.00047443 -0.00014423
-0.01270174 -0.01812480 -0.02556889
2.88005193 3.18573005 -10.23061234
0.00003253 -0.00039993 0.00027046
0.00027889 -0.01445326 -0.00702149
1.89808048 1.77090287 -7.86784794
-0.00073932 0.00072196 0.00072077
0.00215057 0.00547096 0.00838460
-2.02468804 16.51433377 12.38676503
0.00018863 -0.00008870 0.00029117
-0.03277030 0.02583745 -0.00285603
-3.39915743 18.51757155 13.96519070
0.00129069 0.00048402 -0.00003720
0.00469089 0.01385863 0.01040365
-5.49550268 6.14685572 -11.13448467
-0.00105198 0.00111158 -0.00061517
0.01072230 -0.01695999 -0.01699218
-3.99406870 3.62324273 -12.38313325
0.00094196 -0.00061164 -0.00048990
-0.00415255 0.03656570 0.02101651
-7.81753634 1.30975168 -7.75049361
-0.00050714 -0.00019194 -0.00083992
-0.00498967 -0.01053083 0.01759015
-6.09642059 3.04056212 -9.27798021
0.00132969 -0.00043500 0.00053653
-0.02229778 0.00028044 0.00439841
2.99497538 27.48165179 7.25174354
-0.00043014 -0.00090941 0.00040295
0.00539821 0.00205549 -0.03949903
1.31005943 28.93977568 9.09230992
0.00028113 0.00040712 -0.00004021
0.00883297 -0.01287920 -0.00240890
10.56863295 -7.09858508 -0.49910023
0.00014188 0.00063758 0.00083165
-0.01626483 0.00924379 -0.01609261
8.30524255 -7.57044007 -2.38381085
-0.00052712 -0.00043576 0.00053819
0.00576325 0.00776268 0.00499494
-7.13033275 0.03898712 6.95618546
0.00003344 -0.00062530 0.00093415
-0.00417825 -0.00084785 0.01020528
-10.22371505 0.58049628 7.16978285
0.00054999 0.00037403 -0.00037658
0.01641733 -0.01382485 0.00159502
21.02471911 11.14944874 10.43715611
-0.00074617 0.00049790 0.00001229
0.00610287 -0.00354294 0.00856379
20.36197505 12.69956862 8.10724830
0.00004783 0.00065536 -0.00093056
0.01004749 -0.01221079 0.00356271
-0.89923407 -3.34961530 -26.55771125
-0.00056757 -0.00035539 -0.00146396
-0.01532370 -0.00234168 -0.01611082
-3.30621075 -1.92100761 -26.47228882
0.00013918 0.00049699 0.00002863
-0.03354396 0.00843450 0.01821784
-13.46635481 6.91091983 9.54614243
0.00011063 -0.00076433 0.00058543
-0.00677948 0.00683033 0.00547710
-15.25923950 7.38872963 7.29732855
0.00039492 0.00044360 0.00038823
-0.00517567 0.01331464 0.00201294
-11.42078668 7.73223218 -2.01668044
-0.00053142 -0.00092736 0.00104110
-0.01067430 -0.00107971 -0.00776861
-8.86044178 8.11117482 -3.50969415
-0.00011161 -0.00024532 0.00036712
-0.01153733 -0.00576798 0.01853153
-1.01045730 -16.64694887 22.50734930
0.00090931 0.00007594 -0.00082557
0.00504524 -0.01749695 -0.00209169
-3.56685104 -15.54966094 23.65910306
-0.00095885 0.00036472 0.00052702
0.04683272 0.00814665 -0.01290196
-2.86696499 6.20763144 -7.89684437
-0.00038074 -0.00077226 -0.00012827
-0.00342915 -0.00359173 -0.00940382
-4.38547839 6.56184882 -5.47552158
0.00004978 -0.00000539 0.00121618
-0.04089059 0.01030486 0.01208400
-21.87446146 29.80879758 3.02672809
-0.00041231 -0.00015477 -0.00075834
0.02135259 -0.00146938 0.00713658
-21.41077585 31.01848426 5.59237484
0.00007285 0.00021994 -0.00008090
0.02708077 -0.01594477 -0.02526627
7.04502133 -0.19822695 5.89603243
0.00051898 -0.00077400 -0.00049525
0.00375137 0.02313667 0.01572794
7.19390662 2.26560378 7.95700869
-0.00034145 0.00042664 0.00053666
-0.00814523 0.00590548 -0.01132886
6.89651474 12.63377235 -12.93178785
0.00003190 -0.00003403 0.00045978
0.01141566 0.00272585 -0.00329497
5.03228420 11.90677358 -14.92004792
0.00131879 -0.00031917 0.00123310
-0.00467479 -0.00465357 -0.00210593
14.21357535 3.94760920 -2.11533658
0.00012550 0.00006961 0.00079638
0.00974174 -0.00458995 -0.00285693
14.80048052 1.24736659 -1.37456389
0.00017359 0.00101375 0.00078075
-0.00663320 -0.01920293 0.00042094
-2.98852448 12.22520065 -0.12114846
-0.00028656 -0.00081204 -0.00021214
0.00920897 -0.00127378 -0.00595277
-5.61724264 12.90633658 0.67944500
-0.00051681 -0.00008368 -0.00072694
-0.00122281 0.00339988 -0.01528052
3.13267666 11.55763077 2.49123963
0.00000601 0.00030349 -0.00091223
0.04430391 0.01344595 0.00830241
6.14255925 11.39491977 3.06096814
0.00058322 -0.00025634 0.00016494
0.00129056 0.00039184 -0.00432114
25.19878118 -12.71682507 -8.46954791
0.00016451 -0.00089245 -0.00022517
0.00403943 0.00990918 -0.01733644
26.34095412 -11.42942711 -11.38048403
-0.00066456 -0.00011064 -0.00077311
-0.01737477 -0.01336048 0.02797740
15.74564026 -2.80447384 0.55740942
0.00107537 0.00008569 -0.00006342
0.00420673 -0.01789256 -0.01877216
16.91871645 -5.33782756 -0.74397092
-0.00027948 0.00109591 -0.00004955
-0.00251109 0.01284610 0.00552839
12.01902586 8.11058267 11.52663596
-0.00010612 0.00044952 0.00016965
0.02826567 -0.01174377 -0.00814658
13.45094560 9.51995942 9.55943058
0.00077719 -0.00059107 -0.00038265
0.01513283 0.00460188 -0.00709520
0.03500240 -14.61414096 17.37835417
0.00006302 -0.00034684 -0.00057731
-0.01545380 -0.00528960 -0.00460515
1.74391799 -12.70268230 18.79305834
0.00101932 -0.00061552 -0.00000639
0.00073004 -0.00625781 -0.01150948
-3.81174911 -1.75793114 -12.73032940
0.00069675 0.00075506 0.00046419
-0.00181210 -0.01557986 0.02623035
-2.76967855 -1.86741620 -15.40413041
0.00078317 -0.00031856 0.00107613
-0.02228554 0.03665333 0.02632628
14.77649647 -8.04195245 -10.65199393
-0.00019017 0.00042933 0.00008909
-0.00335953 0.00242308 0.02753506
16.39814313 -6.15512467 -8.99759703
0.00062804 0.00017768 -0.00042040
-0.02129882 -0.02341845 -0.00033435
7.07829978 -5.76735920 8.50678797
0.00037402 0.00037814 0.00103188
-0.00921460 0.00788340 0.00269793
9.74777582 -6.55231482 7.93681119
0.00024030 -0.00031058 0.00064938
0.02629450 0.00753418 -0.02134032
-21.17865470 2.12296341 21.06803091
0.00124789 0.00014741 -0.00052772
-0.00831296 -0.00709147 -0.01517284
-22.38071747 1.38957531 23.78342190
0.00043171 -0.00031035 -0.00071724
0.00397344 -0.00008863 -0.01532533
26.86948408 -2.87950086 -6.82974928
0.00045847 0.00037834 -0.00035354
0.00811611 0.00080591 0.00528040
25.47345018 -1.41439935 -8.93996679
0.00059240 0.00059215 -0.00033038
0.00076988 0.00275618 -0.00014155
10.02825076 -15.58634422 -7.89568183
-0.00006012 -0.00018197 0.00039406
-0.00240445 -0.03222096 0.01805857
9.33310730 -12.79728186 -7.17339219
-0.00054129 0.00007157 -0.00064338
-0.00486860 -0.00372402 -0.00373239
-5.84708764 -11.33358016 18.19757549
0.00003617 -0.00039258 -0.00016952
0.01432780 0.01505110 0.02591059
-6.75815239 -11.16544835 15.54542887
0.00020727 0.00030671 -0.00000462
-0.00416544 -0.00419618 -0.00096509
8.66975241 1.49703803 -29.51505132
0.00098827 0.00080054 0.00019092
0.01338297 -0.01909281 -0.00362398
5.95139084 2.43406082 -30.20165387
-0.00065452 -0.00075480 -0.00054171
0.00734039 -0.00338812 0.00453824
12.60412702 15.07564180 14.65327565
0.00116095 0.00024061 0.00002094
0.01912712 0.00018180 -0.01091967
11.45010036 16.17821817 17.14267037
0.00042180 0.00006409 -0.00114093
-0.00468101 -0.00148783 -0.00252089
29.10727317 5.17734816 -4.84928578
-0.00071175 0.00053424 -0.00062881
0.00539580 -0.00844416 -0.00366768
27.06038431 6.96271823 -3.83009034
-0.00002460 0.00031497 -0.00033466
0.01324452 -0.00571634 0.00368099
-9.95438862 5.02413929 6.46698675
0.00000197 0.00027888 -0.00019947
0.00340178 0.00462108 0.00427792
-8.84315019 13.37170452 2.60478093
-0.00013560 0.00002511 0.00003382
0.00004754 -0.00403848 0.00427010
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09490046
0.31244649
416.31927683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4111925370 (a.u.)
total exchange computation time: 2.6163048744 s
-154.2377944706
-931.40298895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4106230523 (a.u.)
total exchange computation time: 2.6154680252 s
-154.2431013249
Anderson extrapolation: theta=1.3481621248 (1.3481621248)
-931.40318895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4097467175 (a.u.)
total exchange computation time: 2.6133460999 s
-154.2509841551
Anderson extrapolation: theta=0.0507478544 (0.0507478544)
-931.40330832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4096163449 (a.u.)
total exchange computation time: 2.6138248444 s
-154.2519997799
Anderson extrapolation: theta=1.8883123857 (1.8883123857)
-931.40331255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4093422318 (a.u.)
total exchange computation time: 2.6140940189 s
-154.2540708382
Anderson extrapolation: theta=0.2123732838 (0.2123732838)
-931.40331671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4092739402 (a.u.)
total exchange computation time: 2.6166930199 s
-154.2545319563
Anderson extrapolation: theta=1.8869117099 (1.8869117099)
-931.40331744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4091629817 (a.u.)
total exchange computation time: 2.6135818958 s
-154.2552219495
Anderson extrapolation: theta=0.2864795240 (0.2864795240)
-931.40331830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4091504647 (a.u.)
total exchange computation time: 2.6137478352 s
-154.2552401522
Anderson extrapolation: theta=1.3216688392 (1.3216688392)
-931.40331851
-118.193206 68.791145 97.441900
559.970589 1031.789037 -409.249215
441.777383 1100.580182 -311.807316
1226.241328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4091493008 (a.u.)
total exchange computation time: 2.6150600910 s
679.58305015
-1084.93457651
89.67221133
-388.36283354
-174.95202079
78.91431969
551.60419304
0.00000000
-931.40331866
4.06974646 -31.43500668 -2.21512443
-0.00006351 -0.00040628 -0.00008492
-0.00246848 -0.00069287 -0.01338180
-11.60095496 -1.45483313 -9.38536709
-0.00034874 0.00012207 -0.00021654
0.00030902 -0.01243436 0.01786360
-37.53114952 2.42225567 0.23017201
0.00000070 0.00019404 -0.00014152
0.00073931 -0.00802038 0.01155966
-11.76472694 -4.20767509 4.05854086
0.00001171 -0.00003105 0.00012616
-0.00074340 -0.00332057 -0.00183905
4.01614158 -4.09748898 8.77854619
-0.00023040 -0.00010291 -0.00046552
-0.00531582 -0.01787076 0.01492722
-32.76988712 -0.29292604 0.05367033
-0.00060862 0.00020179 0.00049076
-0.01035452 0.01699246 0.00344585
14.30430121 12.47608542 -13.53143766
0.00004187 0.00003526 0.00019352
-0.07730929 0.01919290 -0.01462734
-7.74997037 6.08194914 2.69277310
0.00001793 -0.00003210 0.00010693
-0.00712308 0.03761431 0.05959820
7.25524099 12.17302099 -6.16392029
-0.00012039 -0.00020364 -0.00041015
0.01630678 0.00689042 -0.00485302
8.82302630 9.90296039 -19.12142025
0.00013497 -0.00018875 -0.00019621
0.00127569 -0.00401503 0.01058610
23.18034207 17.34716803 -2.39510691
-0.00001137 0.00011052 -0.00025180
-0.00113744 -0.01181233 -0.00193351
2.07852510 16.85803663 -19.66750486
-0.00005402 0.00018358 0.00014313
-0.02501213 0.03525837 0.04794284
14.01310035 -0.90212268 -5.80455339
0.00009005 0.00005303 0.00006690
-0.00366322 -0.03038307 -0.00513709
-16.10232565 -1.41969655 3.21326268
-0.00029978 -0.00018726 -0.00008305
0.00206530 -0.00180581 0.00621978
-16.09463684 -2.29935702 18.76871657
0.00039217 -0.00028488 -0.00005160
-0.01081102 0.02764239 0.00689222
0.45199743 2.13981005 -4.66317376
-0.00009785 0.00003648 0.00022734
0.01196337 -0.02270688 -0.00562616
22.73765336 -7.09648075 -8.80964397
0.00001799 -0.00008700 -0.00002314
-0.00049568 -0.00087621 -0.00143897
-0.75095029 -6.37746509 7.29837815
-0.00004508 -0.00019458 0.00002650
-0.02628023 -0.00674050 0.00417833
-1.78976417 -1.41700413 -19.35423532
-0.00018246 0.00000283 0.00002566
0.03300390 0.01575266 0.02746853
3.12890870 1.62359179 -9.23441414
-0.00007901 -0.00016379 0.00001797
-0.01326815 0.02351919 -0.00193210
-3.60666423 17.73234156 12.33856323
0.00030234 0.00000734 0.00005383
0.03236781 -0.03130035 -0.00247006
-3.89030806 5.16467554 -11.25210114
-0.00004667 0.00019518 -0.00020026
-0.00899166 -0.01429849 -0.01156097
-7.89179384 2.71583244 -8.87102359
-0.00007251 -0.00011783 0.00009777
0.03051857 0.03097989 -0.03095567
2.50014782 27.53095260 8.93822257
0.00014960 0.00006799 0.00036239
-0.02152461 0.00916292 0.05082231
9.41864864 -6.25349243 -1.74278241
-0.00031634 -0.00002795 0.00008719
0.01212391 -0.01598770 0.01687186
-8.66346501 0.72553512 6.19556175
-0.00008635 -0.00010547 0.00023175
-0.00438382 0.00673484 -0.01089892
20.51805464 10.92904459 8.71543761
0.00015182 0.00009953 -0.00006581
-0.01169109 0.01634493 -0.01876560
-1.97595466 -2.21018674 -27.61090735
0.00015671 -0.00014902 -0.00004727
0.02635247 -0.00832701 -0.00553586
-14.17624279 6.16622066 8.05968791
0.00029171 -0.00000059 0.00028851
0.01528631 -0.02110538 -0.00752175
-9.69348079 7.22161639 -2.03011776
-0.00026056 0.00000135 0.00039851
0.01907421 0.00647368 -0.01532656
-1.75911241 -15.10494410 23.10002251
-0.00001149 0.00033789 -0.00052258
-0.05801453 0.00210273 0.01297415
-2.76932162 6.28806147 -6.08038650
-0.00011150 -0.00013887 0.00013659
0.04505142 -0.01423831 -0.00615670
-20.38552070 30.15853987 4.19605348
-0.00037403 -0.00059050 0.00017912
-0.04596104 0.02724894 0.02163794
7.75418115 0.61163032 7.49302433
0.00016244 0.00053183 -0.00014867
0.01016888 -0.02478210 -0.00281419
5.79295376 11.20661425 -13.41654378
-0.00000024 -0.00057238 -0.00013726
0.00748263 -0.00370658 -0.00042342
15.61662473 2.81535567 -1.65292513
0.00008244 0.00015411 0.00029521
0.00130558 0.03408588 0.00179735
-4.45533443 13.05163181 -0.78844951
0.00000552 -0.00039432 0.00009949
-0.00499872 -0.00215340 0.01010674
4.79604935 12.56211285 2.52496403
-0.00007907 0.00023184 -0.00038249
-0.04114656 -0.01962015 0.01142278
25.05570974 -11.46877130 -9.84083997
-0.00020928 0.00019849 0.00027912
0.00619865 0.00070204 0.00248413
16.88031678 -3.47173884 -0.76592390
0.00030074 0.00025777 -0.00005694
-0.00141302 0.00807194 0.01160027
13.47516714 7.82710444 10.26673579
0.00042530 -0.00032908 0.00003517
-0.03435347 -0.00226157 0.01413778
1.75496826 -14.04419874 17.51973690
0.00024964 0.00017007 0.00001643
0.01800935 0.01437022 0.01001913
-3.67914787 -0.68771058 -14.15472710
0.00019824 -0.00002042 0.00005768
0.01707197 -0.01840721 -0.04800103
14.97096399 -7.55640622 -8.82749955
-0.00005428 -0.00028148 -0.00001436
0.03991550 0.00606134 -0.03410899
8.38103149 -6.96011598 8.97107312
0.00005784 0.00039618 0.00001471
-0.01602105 -0.00698626 0.02499067
-21.10907239 2.38101282 22.86012100
-0.00005310 0.00018892 0.00021109
0.00519342 0.01224316 0.01869593
25.72879498 -3.09327119 -8.23259406
0.00009069 0.00010518 -0.00007885
-0.00029865 -0.00661853 -0.00032026
9.92519387 -13.93262080 -8.50605791
0.00007827 0.00002523 -0.00040827
-0.00211258 0.02474180 -0.01286731
-6.69127195 -12.31581576 16.98057466
0.00013647 0.00033305 0.00001891
-0.01381443 -0.00787888 -0.02535346
7.53121280 2.85531636 -29.32300822
-0.00041958 -0.00054398 -0.00003628
-0.01615220 0.02324625 -0.00050066
11.04998883 15.72721945 15.41789380
-0.00030948 0.00042089 0.00028524
-0.03218010 0.00152631 0.00793993
28.80593104 6.36016328 -3.47923348
0.00022502 0.00024160 0.00004203
-0.01830630 0.01125622 0.00454154
5.28073980 -32.08246379 -3.45105481
-0.00012625 -0.00066001 -0.00049450
-0.00425714 0.00381749 -0.00546723
4.86011712 -31.59169204 -0.55867000
0.00007922 -0.00085938 0.00036168
-0.00408864 0.00048940 0.00588237
-12.18114036 -3.19531037 -9.33370807
-0.00028171 0.00081486 -0.00079778
-0.00241848 0.00412006 -0.00528744
-12.14324896 -0.61501327 -10.87076853
0.00066025 0.00035795 0.00004445
-0.00770468 -0.00012515 -0.01696782
-38.96253624 2.35580625 1.37398655
-0.00018832 0.00049585 0.00026783
0.00371715 -0.00363189 -0.00531454
-37.88013636 3.82880120 -0.83131336
0.00041735 -0.00054457 0.00049963
-0.00179237 0.02132635 -0.01879108
-10.77069723 -5.48852589 3.17172998
-0.00072003 0.00090887 0.00050132
-0.00406867 -0.00260307 0.00548431
-10.57833112 -2.84135550 4.21824487
-0.00006041 -0.00069509 0.00083472
0.00103960 0.01064964 0.00284271
4.15400464 -2.34184590 8.40158448
-0.00049512 -0.00085940 0.00044814
0.00285134 0.01188347 -0.00198939
3.61436717 -4.16504944 10.60362431
-0.00007729 -0.00046376 -0.00070822
0.00869796 0.00414829 -0.01147541
-34.42465425 -1.10350400 0.17864142
-0.00087757 0.00054276 0.00037209
0.01223645 0.00837126 -0.00018855
-33.17784280 1.50290776 0.40982668
-0.00048393 -0.00047423 -0.00113939
-0.00119007 -0.02564669 -0.00395674
13.36519637 13.04874864 -15.08506498
-0.00146649 0.00091817 -0.00030603
0.01186378 -0.00862504 0.02208170
15.91574402 12.52601800 -14.12486549
-0.00047220 -0.00040264 -0.00052724
0.07004209 -0.00451024 -0.01798754
-8.12946027 7.61953874 1.82785657
0.00080967 0.00017855 -0.00039214
-0.00201100 0.00416810 -0.01174591
-7.36418242 4.90002975 1.49013667
-0.00025123 0.00030234 0.00058464
0.01266235 -0.04306297 -0.04680306
6.26181118 12.41466828 -7.68543773
0.00033163 -0.00030584 -0.00003788
-0.00207216 -0.00345035 0.00425862
8.70238831 13.38519792 -6.34323455
-0.00085090 -0.00024128 0.00063727
-0.00589905 0.00050555 -0.00252709
8.83652181 8.37600930 -20.04191084
0.00065614 -0.00028757 0.00039561
-0.00791286 -0.02055937 -0.01084187
10.55693948 10.45278059 -19.23273753
-0.00029520 -0.00077110 0.00061446
0.00672562 0.01681818 0.00162692
24.20061159 15.82001716 -2.78820160
0.00062984 -0.00021728 -0.00026028
-0.00121827 0.00910904 0.00010310
24.08004566 18.79525695 -3.02316535
0.00025148 -0.00012407 -0.00029322
0.02095606 -0.00345726 0.00518747
1.57097644 16.92883132 -21.35380656
-0.00029266 -0.00053601 -0.00072162
-0.00597240 -0.00303959 -0.04393494
3.37917309 15.68716048 -19.43420233
-0.00070176 -0.00007285 -0.00011104
0.02777805 -0.02732685 0.00030447
13.01204152 -1.85467080 -7.05758787
0.00070375 -0.00058013 -0.00006468
0.01033687 0.01043682 0.00076518
12.90874662 -1.05796953 -4.39228594
-0.00087218 -0.00025837 -0.00103311
-0.00290305 0.00553903 0.01807591
-17.87313815 -1.86134876 3.14934398
0.00074291 0.00008364 0.00108048
0.00590453 -0.01204417 -0.00395330
-15.03180450 -2.88215027 2.83991660
-0.00026427 -0.00030425 0.00072641
-0.00794265 0.00240678 0.00826208
-16.30709907 -0.56925840 19.49473371
0.00149086 -0.00018477 -0.00093476
0.00924312 -0.02337175 -0.00647994
-14.86408703 -3.16424210 19.80997861
0.00007438 0.00030531 -0.00051863
-0.00067923 -0.00293113 -0.00263411
-0.21932426 0.40173844 -5.03778664
0.00036805 -0.00030489 -0.00024191
-0.00702557 0.01941881 0.00407960
-0.86242663 3.32884949 -5.08394484
0.00035881 0.00106965 -0.00028783
-0.01104329 0.00588018 -0.00082749
23.84170064 -8.50450163 -9.21674297
0.00038465 0.00091406 0.00020882
-0.00487086 -0.02220118 -0.00287207
23.94469755 -5.87244681 -8.21910753
-0.00035422 -0.00005950 0.00032087
-0.00134835 0.01833437 0.00301296
-0.47637086 -6.24518871 5.51110627
-0.00073693 0.00034672 -0.00026328
0.01386585 0.00357463 -0.00422421
0.82143119 -6.26867214 8.19076401
0.00023928 0.00087563 -0.00049103
0.00976624 0.00783838 -0.00625354
-0.21368258 -2.36306805 -19.53793361
0.00066179 -0.00017269 -0.00008965
-0.01633576 -0.00231791 -0.00068072
-3.04567988 -2.10573595 -20.40250841
0.00044333 -0.00054930 -0.00025022
-0.01363611 -0.01852459 -0.02631572
2.88054847 3.17928820 -10.22677055
0.00003337 -0.00045471 0.00023822
0.00013244 -0.01236122 -0.00876001
1.88705654 1.78189990 -7.85677950
-0.00072084 0.00074197 0.00074560
0.00689665 0.00432233 0.00377107
-2.02286280 16.51379507 12.39104503
0.00005554 0.00001564 0.00027827
-0.03237536 0.02523749 -0.00345848
-3.37965338 18.52525645 13.96495154
0.00130817 0.00053922 0.00000223
0.00386884 0.01316397 0.00889760
-5.51095385 6.16300972 -11.14423296
-0.00099678 0.00103371 -0.00068567
0.01629736 -0.02115733 -0.01751517
-3.98006660 3.61518862 -12.38983772
0.00092346 -0.00045559 -0.00040003
-0.00490142 0.03982394 0.02297709
-7.82529634 1.30654986 -7.76255345
-0.00052756 -0.00024135 -0.00076303
-0.00500796 -0.01365567 0.02005011
-6.07715847 3.03404568 -9.26979742
0.00122415 -0.00043530 0.00055670
-0.02936742 -0.00042585 0.00547326
2.98868870 27.46807366 7.25657748
-0.00040787 -0.00090154 0.00023930
0.00550326 0.00179697 -0.04061162
1.31454702 28.94548777 9.09163298
0.00031810 0.00035316 -0.00005014
0.00926417 -0.01353269 -0.00245042
10.57026269 -7.08873807 -0.48711866
0.00007166 0.00067631 0.00076168
-0.01810554 0.00971132 -0.01815649
8.29751240 -7.57673860 -2.37558494
-0.00050081 -0.00040163 0.00056048
0.00711561 0.00894472 0.00591526
-7.12995919 0.02958166 6.97051048
0.00000975 -0.00062499 0.00097134
-0.00741865 0.00099744 0.00799589
-10.21496210 0.58568313 7.16418304
0.00060506 0.00031657 -0.00036276
0.01053955 -0.01430185 0.00516950
21.01371361 11.15680863 10.43760282
-0.00072081 0.00048423 0.00004892
0.00630921 -0.00314873 0.00936851
20.36300042 12.70902482 8.09339905
0.00009015 0.00059678 -0.00091173
0.01066531 -0.01646486 0.00565670
-0.90821719 -3.35501787 -26.58016432
-0.00062257 -0.00037188 -0.00152128
-0.01159816 -0.00573143 -0.01194725
-3.30515096 -1.91329428 -26.47130112
0.00000615 0.00053036 0.00010058
-0.03157575 0.00789755 0.01700377
-13.46490313 6.89966414 9.55509172
0.00008360 -0.00073532 0.00060959
-0.00645168 0.00737347 0.00634939
-15.25347433 7.39579165 7.30321364
0.00037587 0.00049545 0.00039846
-0.00415015 0.01206391 0.00299564
-11.42908515 7.71828864 -2.00130198
-0.00057400 -0.00093102 0.00100779
-0.01016587 -0.00070854 -0.00853957
-8.86246949 8.10731830 -3.50361955
-0.00016037 -0.00026788 0.00044231
-0.01232969 -0.00527585 0.01827825
-0.99666309 -16.64634597 22.49490162
0.00092314 0.00001295 -0.00082947
0.00172786 -0.01333662 0.00018348
-3.57979867 -15.54394054 23.66661296
-0.00075666 0.00039832 0.00047005
0.05213986 0.00830043 -0.01498304
-2.87278113 6.19593744 -7.89905664
-0.00039616 -0.00078627 -0.00016191
-0.00412234 -0.00326541 -0.00705901
-4.38598475 6.56208382 -5.45690856
-0.00011105 0.00003566 0.00126225
-0.03783302 0.00978525 0.01046775
-21.87999178 29.80643099 3.01557165
-0.00032264 -0.00015971 -0.00072508
0.02254077 -0.00094885 0.00914589
-21.40885327 31.02129477 5.59038717
0.00018185 0.00015428 -0.00018378
0.02627702 -0.01619801 -0.02509677
7.05292094 -0.20912794 5.88908567
0.00053479 -0.00067476 -0.00042596
0.00398895 0.02543967 0.01819061
7.18853527 2.27218437 7.96471146
-0.00037408 0.00044701 0.00048812
-0.00782710 0.00406375 -0.01243234
6.89734301 12.63334550 -12.92499211
0.00007479 -0.00002908 0.00044561
0.00958107 -0.00030685 -0.00364060
5.05192274 11.90184341 -14.90161600
0.00128756 -0.00032923 0.00120178
-0.01061155 -0.00026822 -0.01322279
14.21575632 3.94851268 -2.10347843
0.00016347 0.00005326 0.00078362
0.00884881 -0.00341429 -0.00339016
14.80288109 1.26198437 -1.36283971
0.00014140 0.00092360 0.00078458
-0.00912376 -0.02492564 0.00145249
-2.99254065 12.21298106 -0.12451301
-0.00024803 -0.00081842 -0.00023468
0.00965156 -0.00185240 -0.00508146
-5.62503228 12.90518552 0.66807263
-0.00052293 -0.00007062 -0.00078531
-0.00177465 0.00299385 -0.01329325
3.13412443 11.56259516 2.47781058
0.00018564 0.00035739 -0.00087742
0.04362623 0.01294004 0.00873528
6.15134716 11.39108668 3.06330989
0.00057941 -0.00024739 0.00014353
-0.00315690 0.00398732 -0.00616155
25.20137254 -12.72990821 -8.47345677
0.00018005 -0.00084798 -0.00029932
0.00356830 0.01186173 -0.01895677
26.33045324 -11.43149609 -11.39122337
-0.00073720 -0.00016515 -0.00065543
-0.01818068 -0.01332165 0.02962838
15.76189967 -2.80373673 0.55588286
0.00108759 0.00001626 -0.00013484
0.00177656 -0.01609447 -0.01618841
16.91444733 -5.32099524 -0.74454472
-0.00028896 0.00113655 -0.00002740
-0.00213030 0.00704564 0.00531179
12.01830025 8.11696557 11.52893114
0.00001268 0.00040044 0.00013386
0.02988756 -0.01227853 -0.00937441
13.46306718 9.51123434 9.55347342
0.00083886 -0.00057093 -0.00041185
0.01505238 0.00526012 -0.00719991
0.03547416 -14.61950571 17.36955340
0.00000576 -0.00036490 -0.00059444
-0.01257473 -0.00354728 -0.00378162
1.75923015 -12.71210693 18.79260985
0.00102025 -0.00063478 -0.00004753
-0.00027517 -0.00316960 -0.00863028
-3.80135340 -1.74708270 -12.72256271
0.00068884 0.00069068 0.00057334
-0.00205904 -0.01593332 0.02719647
-2.75861391 -1.87107144 -15.38718182
0.00069266 -0.00017010 0.00118030
-0.02201711 0.03601813 0.02466801
14.77354102 -8.03543824 -10.64981376
-0.00020488 0.00043694 0.00019771
-0.00384442 0.00130074 0.02563339
16.40691101 -6.15317715 -9.00391334
0.00053844 0.00007993 -0.00042025
-0.02255837 -0.02442721 0.00040759
7.08362768 -5.76144558 8.52234878
0.00033274 0.00041512 0.00103963
-0.01099050 0.01021972 0.00109850
9.75218603 -6.55674267 7.94589799
0.00035148 -0.00027765 0.00055846
0.02812901 0.00858789 -0.02316571
-21.16019108 2.12495733 21.05965010
0.00121401 0.00011980 -0.00057822
-0.00827400 -0.00642432 -0.00954394
-22.37412000 1.38491733 23.77219371
0.00044254 -0.00031440 -0.00077608
0.00132629 -0.00189565 -0.01347620
26.87660979 -2.87380108 -6.83489054
0.00049104 0.00038070 -0.00033248
0.00782801 0.00035089 0.00502791
25.48235979 -1.40543264 -8.94492677
0.00059573 0.00059744 -0.00032881
0.00085829 -0.00016847 0.00090618
10.02727529 -15.59006112 -7.88921754
-0.00007030 -0.00030412 0.00046388
-0.00257982 -0.02757332 0.01611822
9.32483882 -12.79632246 -7.18315731
-0.00056073 0.00005685 -0.00065896
-0.00464732 -0.00347957 -0.00389479
-5.84610610 -11.33900768 18.19582669
0.00009924 -0.00032558 -0.00005742
0.01654880 0.01774859 0.02896451
-6.75517093 -11.16097622 15.54533005
0.00019041 0.00028963 -0.00000813
-0.00408801 -0.00416599 -0.00075459
8.68498659 1.50846111 -29.51229863
0.00104277 0.00072089 0.00017484
0.01329200 -0.01989906 -0.00424699
5.94179791 2.42263493 -30.20964052
-0.00061843 -0.00076888 -0.00052055
0.01033005 -0.00350056 0.00582215
12.62212745 15.07925648 14.65325511
0.00122351 0.00024696 -0.00001867
0.01149247 0.00292971 -0.00846845
11.45628390 16.17913395 17.12547923
0.00040551 0.00006361 -0.00113155
-0.00329024 0.00125263 0.00710818
29.09676231 5.18510296 -4.85883031
-0.00068839 0.00050056 -0.00064131
0.00603633 -0.00804018 -0.00245077
27.06042121 6.96726766 -3.83499745
0.00003245 0.00029144 -0.00031758
0.01468256 -0.00580205 0.00468155
-9.95435000 5.02833492 6.46400621
0.00000318 0.00028049 -0.00019791
0.00336252 0.00436532 0.00444802
-8.84518405 13.37207411 2.60529567
-0.00013559 0.00002418 0.00003484
-0.00001147 -0.00398524 0.00447291
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09489882
0.30841984
410.95397635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4124818490 (a.u.)
total exchange computation time: 2.6163239479 s
-154.2427700706
-931.39888651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4118191852 (a.u.)
total exchange computation time: 2.6146450043 s
-154.2488430148
Anderson extrapolation: theta=1.3474921279 (1.3474921279)
-931.39909320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4108188655 (a.u.)
total exchange computation time: 2.6191189289 s
-154.2577720573
Anderson extrapolation: theta=0.0508759709 (0.0508759709)
-931.39921626
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4106835818 (a.u.)
total exchange computation time: 2.6146388054 s
-154.2588544974
Anderson extrapolation: theta=1.8939392767 (1.8939392767)
-931.39922059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4104012689 (a.u.)
total exchange computation time: 2.6136338711 s
-154.2610556951
Anderson extrapolation: theta=0.2148408216 (0.2148408216)
-931.39922481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4103323082 (a.u.)
total exchange computation time: 2.6147849560 s
-154.2615441544
Anderson extrapolation: theta=1.8865094163 (1.8865094163)
-931.39922554
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4102216127 (a.u.)
total exchange computation time: 2.6195960045 s
-154.2622748025
Anderson extrapolation: theta=0.2870025610 (0.2870025610)
-931.39922637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4102103684 (a.u.)
total exchange computation time: 2.6130650043 s
-154.2622950601
Anderson extrapolation: theta=1.3143479941 (1.3143479941)
-931.39922658
-118.214540 68.841012 97.387099
560.022796 1031.784565 -409.245375
441.808255 1100.625577 -311.858276
1226.306152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4102117258 (a.u.)
total exchange computation time: 2.5959010124 s
679.61029567
-1084.98800676
89.66679064
-388.32256997
-174.95552458
78.94521944
551.60419304
0.00000000
-931.39922672
4.06878423 -31.44110352 -2.21644977
-0.00006413 -0.00040688 -0.00009151
0.00009042 -0.00163420 -0.01226283
-11.60618479 -1.45305000 -9.38854634
-0.00034788 0.00011656 -0.00020672
0.00301949 -0.00900835 0.02034771
-37.53113617 2.42513529 0.22809374
0.00000091 0.00018821 -0.00013382
0.00007448 -0.01462667 0.01841743
-11.76455420 -4.20815357 4.06042616
0.00000964 -0.00003192 0.00012619
-0.00730947 -0.00009658 0.00196192
4.01266501 -4.09910152 8.77162098
-0.00023319 -0.00011397 -0.00045771
-0.00550928 -0.02515739 0.01544732
-32.77905639 -0.28983364 0.06104500
-0.00061379 0.00020888 0.00049210
-0.00975799 0.01057993 0.00177268
14.30463112 12.47668842 -13.52859123
0.00000078 0.00004574 0.00018486
-0.08250752 0.02153682 -0.01904651
-7.74972889 6.08161276 2.69460689
0.00001391 -0.00001130 0.00013809
-0.00850931 0.04325843 0.06157140
7.25349801 12.16999293 -6.17009130
-0.00011218 -0.00020090 -0.00041160
0.01562539 0.00375720 -0.00076581
8.82505571 9.90011368 -19.12432257
0.00013450 -0.00019088 -0.00019054
-0.00309746 -0.00426559 0.01146733
23.18016711 17.34878032 -2.39889137
-0.00001134 0.00010351 -0.00025299
0.00124730 -0.01547816 -0.00270146
2.07761827 16.86092626 -19.66517298
-0.00006793 0.00020218 0.00016545
-0.02908619 0.03710353 0.03884450
14.01443694 -0.90144446 -5.80356972
0.00008828 0.00003725 0.00006383
-0.00322931 -0.03097582 -0.00678893
-16.10681431 -1.42251234 3.21204095
-0.00029644 -0.00018755 -0.00007967
0.01089282 0.00065790 0.00692745
-16.08879592 -2.30352361 18.76796910
0.00038579 -0.00027042 -0.00004911
-0.01403335 0.02859133 0.00280828
0.45057584 2.14026968 -4.65978528
-0.00009214 0.00002520 0.00022410
0.01023142 -0.02117641 -0.00697602
22.73792123 -7.09778913 -8.80999656
0.00001715 -0.00008668 -0.00002365
-0.00276887 0.00210450 -0.00056913
-0.75172786 -6.38040981 7.29879177
-0.00005841 -0.00019798 0.00002825
-0.02554591 -0.00646977 0.00260757
-1.79237369 -1.41690098 -19.35374451
-0.00016431 0.00001016 0.00003957
0.03755630 0.01275497 0.02662395
3.12767236 1.62122572 -9.23415206
-0.00008692 -0.00015195 0.00001859
-0.01747389 0.02250587 0.00432869
-3.60200431 17.73233096 12.33936121
0.00031880 -0.00000839 0.00005323
0.03166842 -0.02987017 0.00012679
-3.89104278 5.16754814 -11.25514958
-0.00005237 0.00018811 -0.00020636
-0.01317070 -0.01322563 -0.01215752
-7.89276381 2.71418442 -8.86967647
-0.00005528 -0.00010105 0.00008108
0.03647524 0.03429317 -0.03392455
2.50230882 27.53200781 8.94385440
0.00013864 0.00007283 0.00038829
-0.02108634 0.00963661 0.04992769
9.41395032 -6.25397328 -1.74140947
-0.00031003 -0.00003645 0.00009614
0.01240734 -0.01710177 0.01793704
-8.66477713 0.72397908 6.19899594
-0.00008615 -0.00010233 0.00022573
0.00514264 0.00548015 -0.01249322
20.52028688 10.93060060 8.71437803
0.00014565 0.00010877 -0.00007601
-0.01231303 0.01958578 -0.02088687
-1.97350235 -2.21245420 -27.61163775
0.00016850 -0.00015202 -0.00005072
0.01949507 -0.00332033 -0.00789071
-14.17180817 6.16613045 8.06398650
0.00029915 -0.00001115 0.00028420
0.01363337 -0.01997684 -0.00923122
-9.69731564 7.22166160 -2.02419927
-0.00025084 0.00000448 0.00039093
0.01873435 0.00570559 -0.01412521
-1.75950847 -15.09986759 23.09223385
-0.00004142 0.00033781 -0.00051605
-0.05838589 -0.00242738 0.01242995
-2.77082038 6.28592346 -6.07836140
-0.00008929 -0.00014610 0.00013330
0.04132106 -0.01386739 -0.00663831
-20.39130841 30.14978743 4.19882376
-0.00039755 -0.00057667 0.00018959
-0.04551874 0.02655484 0.01906929
7.75665692 0.61951219 7.49078345
0.00016748 0.00051910 -0.00015041
0.00943572 -0.02471940 -0.00397099
5.79297909 11.19801424 -13.41860435
0.00000565 -0.00057458 -0.00013445
0.01539231 -0.00485302 0.01136123
15.61786641 2.81779878 -1.64848998
0.00008393 0.00017247 0.00029599
0.00447268 0.03731999 0.00121209
-4.45527086 13.04570871 -0.78691824
0.00000311 -0.00039521 0.00010392
-0.00438716 -0.00131834 0.00715343
4.79470465 12.56551481 2.51927068
-0.00009870 0.00022106 -0.00037627
-0.03521710 -0.02232151 0.01278539
25.05259443 -11.46579129 -9.83664360
-0.00020570 0.00019840 0.00028033
0.00772781 -0.00105680 0.00220762
16.88482244 -3.46784122 -0.76673319
0.00030060 0.00026299 -0.00005172
0.00085731 0.01223548 0.00867441
13.48141419 7.82215950 10.26731794
0.00040743 -0.00033019 0.00004271
-0.03516966 -0.00204719 0.01515466
1.75878237 -14.04159231 17.52002194
0.00025822 0.00017610 0.00002052
0.01535376 0.00907418 0.00591154
-3.67610848 -0.68808788 -14.15404702
0.00020679 -0.00002967 0.00003363
0.01620893 -0.01756693 -0.04552199
14.97030376 -7.56060502 -8.82784655
-0.00003333 -0.00027770 -0.00003131
0.04153437 0.00861636 -0.03179927
8.38183726 -6.95420019 8.97139018
0.00004972 0.00039171 0.00002814
-0.01554523 -0.01041132 0.02721311
-21.10984884 2.38389380 22.86335950
-0.00004974 0.00019561 0.00021865
0.00785520 0.01378622 0.01067642
25.73015418 -3.09171904 -8.23377800
0.00009061 0.00010255 -0.00007916
-0.00000615 -0.00358706 -0.00091525
9.92635972 -13.93214689 -8.51223158
0.00007723 0.00003643 -0.00041426
-0.00192424 0.01880779 -0.01043791
-6.68927818 -12.31085044 16.98076054
0.00012892 0.00032841 0.00000536
-0.01552875 -0.01015588 -0.02733864
7.52485684 2.84724635 -29.32355440
-0.00042833 -0.00053201 -0.00003666
-0.01788931 0.02331338 -0.00096143
11.04522257 15.73353873 15.42220296
-0.00032441 0.00042027 0.00028599
-0.02587768 -0.00396108 -0.00501327
28.80923571 6.36383063 -3.47858551
0.00021525 0.00024720 0.00004374
-0.01969534 0.01052939 0.00208882
5.27871565 -32.09224692 -3.45863991
-0.00014621 -0.00064269 -0.00051343
-0.00551510 0.00465853 -0.00379836
4.86118020 -31.60456771 -0.55306457
0.00006014 -0.00085639 0.00037959
-0.00525161 0.00097454 0.00288737
-12.18544014 -3.18296128 -9.34583683
-0.00029484 0.00082167 -0.00081873
-0.00400745 -0.00078437 -0.00496613
-12.13358136 -0.60964784 -10.87062179
0.00062704 0.00036083 -0.00003035
-0.00855039 0.00153656 -0.01964622
-38.96524708 2.36313265 1.37784120
-0.00016869 0.00048094 0.00024246
0.00589208 -0.00366383 -0.00710781
-37.87393102 3.82128619 -0.82439473
0.00040677 -0.00044424 0.00041278
-0.00338605 0.02778459 -0.02372189
-10.78162229 -5.47497257 3.17941779
-0.00072784 0.00088567 0.00051499
0.00024524 -0.00875363 0.00121018
-10.57920537 -2.85145558 4.23085272
-0.00005167 -0.00064536 0.00084720
0.00323827 0.01369788 0.00326751
4.14666525 -2.35437270 8.40824560
-0.00048209 -0.00079484 0.00043567
0.00352452 0.01971946 -0.00411197
3.61347430 -4.17187873 10.59264941
-0.00004290 -0.00044763 -0.00075100
0.00813880 0.00374937 -0.00946770
-34.43744287 -1.09510613 0.18421700
-0.00082650 0.00057660 0.00037129
0.01276510 0.00819452 -0.00020357
-33.18513821 1.49500837 0.39261459
-0.00049122 -0.00056535 -0.00115222
-0.00238007 -0.01895312 -0.00232301
13.34356253 13.06225686 -15.08897883
-0.00140823 0.00087767 -0.00020455
0.01665571 -0.01120007 0.02759578
15.91080739 12.51984025 -14.13332521
-0.00018503 -0.00042094 -0.00060333
0.07052720 -0.00445110 -0.01926370
-8.11737689 7.62234476 1.82161454
0.00080198 0.00019217 -0.00043742
-0.00175209 0.00249647 -0.01041812
-7.36756285 4.90324525 1.49747203
-0.00019713 0.00011866 0.00038674
0.01381816 -0.04684836 -0.05006749
6.26672213 12.40997488 -7.68587545
0.00031833 -0.00031857 -0.00002785
-0.00443604 -0.00277833 0.00064970
8.68944400 13.38159419 -6.33375298
-0.00086908 -0.00023455 0.00062572
-0.00299866 0.00278923 -0.00312619
8.84612147 8.37106581 -20.03630897
0.00062299 -0.00037444 0.00034989
-0.00831640 -0.02196397 -0.01153486
10.55271756 10.44172942 -19.22347071
-0.00025869 -0.00069858 0.00062087
0.01114621 0.01868270 0.00151030
24.21002192 15.81703706 -2.79210259
0.00062055 -0.00017483 -0.00025784
-0.00332878 0.01167280 0.00109074
24.08446002 18.79328988 -3.02740473
0.00033636 -0.00013718 -0.00027211
0.02059099 -0.00295684 0.00514874
1.56640346 16.92069803 -21.36597718
-0.00031271 -0.00054821 -0.00088427
-0.00384186 -0.00293427 -0.03568114
3.36949784 15.68523041 -19.43585854
-0.00058451 -0.00018793 -0.00010828
0.02961638 -0.02900600 0.00104700
13.02291448 -1.86305291 -7.05853465
0.00074685 -0.00053727 -0.00006188
0.01076352 0.01054328 0.00060849
12.89557494 -1.06167541 -4.40722873
-0.00088605 -0.00023544 -0.00095534
-0.00388436 0.00568641 0.01999516
-17.86181349 -1.86046320 3.16542997
0.00074939 0.00003002 0.00106360
-0.00273290 -0.01420574 -0.00430737
-15.03601190 -2.88664033 2.85106589
-0.00029640 -0.00029497 0.00075946
-0.00778688 0.00213796 0.00791963
-16.28445299 -0.57274606 19.48051371
0.00152660 -0.00027561 -0.00095953
0.00825497 -0.02109845 -0.00564304
-14.86299209 -3.15975233 19.80211840
0.00007980 0.00028674 -0.00052298
0.00333074 -0.00615698 0.00050514
-0.21401876 0.39776022 -5.04129023
0.00033859 -0.00022262 -0.00022461
-0.00739459 0.02085167 0.00438623
-0.85738283 3.34507446 -5.08828761
0.00031770 0.00108759 -0.00028950
-0.00908156 0.00290240 0.00000976
23.84732106 -8.49147105 -9.21369875
0.00036875 0.00081620 0.00019499
-0.00291171 -0.02570071 -0.00389693
23.93934291 -5.87277747 -8.21420212
-0.00035910 0.00001702 0.00033387
-0.00103727 0.01911961 0.00335151
-0.48699987 -6.23987838 5.50702758
-0.00068078 0.00036114 -0.00027696
0.01361759 0.00348304 -0.00247168
0.82531969 -6.25529745 8.18320694
0.00027807 0.00090733 -0.00051734
0.00922088 0.00767793 -0.00662520
-0.20425631 -2.36572937 -19.53929919
0.00058611 -0.00017645 -0.00009090
-0.02070918 0.00047456 0.00006732
-3.03944771 -2.11454314 -20.40706813
0.00038779 -0.00062460 -0.00035747
-0.01355279 -0.01833397 -0.02618148
2.88105313 3.17208879 -10.22346562
0.00003350 -0.00050045 0.00019867
-0.00006885 -0.01002761 -0.01060231
1.87645527 1.79316183 -7.84547994
-0.00068361 0.00075724 0.00075223
0.01132674 0.00315409 -0.00052802
-2.02302172 16.51480308 12.39511308
-0.00007490 0.00011670 0.00026287
-0.03147560 0.02423149 -0.00407745
-3.35991222 18.53374812 13.96525768
0.00132209 0.00059106 0.00003464
0.00294486 0.01221273 0.00696412
-5.52540622 6.17786706 -11.15505468
-0.00092057 0.00093996 -0.00075786
0.02100966 -0.02473574 -0.01782543
-3.96636489 3.60957516 -12.39513401
0.00090191 -0.00028810 -0.00030348
-0.00564951 0.04216032 0.02428307
-7.83336326 1.30251115 -7.77338450
-0.00054811 -0.00030212 -0.00067729
-0.00504811 -0.01609330 0.02192219
-6.05969617 3.02750315 -9.26127919
0.00109208 -0.00043803 0.00058063
-0.03527892 -0.00091238 0.00624141
2.98273929 27.45460567 7.25892249
-0.00038636 -0.00089456 0.00007511
0.00502657 0.00161818 -0.03976120
1.31960238 28.95037050 9.09080586
0.00035606 0.00029742 -0.00006012
0.00931717 -0.01375133 -0.00243622
10.57078281 -7.07829588 -0.47624983
-0.00000514 0.00071629 0.00068428
-0.01948960 0.00986212 -0.01973052
8.29021833 -7.58248895 -2.36699650
-0.00046947 -0.00036317 0.00058620
0.00822422 0.00988165 0.00667362
-7.13004030 0.02023734 6.98532554
-0.00002678 -0.00061721 0.00099944
-0.01046120 0.00281096 0.00576354
-10.20556321 0.58999347 7.15890004
0.00063521 0.00025727 -0.00033393
0.00421813 -0.01472574 0.00894250
21.00309477 11.16397554 10.43862368
-0.00069492 0.00047206 0.00008787
0.00636277 -0.00280569 0.00969889
20.36467943 12.71747196 8.07989648
0.00013487 0.00052218 -0.00088473
0.01122782 -0.02005087 0.00756057
-0.91791112 -3.36077169 -26.60334959
-0.00066164 -0.00040312 -0.00156093
-0.00752997 -0.00956022 -0.00746166
-3.30602631 -1.90509694 -26.46927133
-0.00011654 0.00056084 0.00016574
-0.02847867 0.00702541 0.01489311
-13.46384684 6.88886033 9.56443014
0.00005776 -0.00070436 0.00063693
-0.00619695 0.00777846 0.00703519
-15.24796352 7.40359301 7.30928233
0.00036145 0.00054161 0.00041298
-0.00290475 0.01053233 0.00411196
-11.43800664 7.70430168 -1.98644687
-0.00061358 -0.00093343 0.00097135
-0.00920998 -0.00047097 -0.00929706
-8.86525284 8.10313845 -3.49642473
-0.00021186 -0.00028797 0.00051561
-0.01287373 -0.00456060 0.01759883
-0.98276299 -16.64656042 22.48246519
0.00092327 -0.00003258 -0.00082388
-0.00166575 -0.00894785 0.00255401
-3.58955085 -15.53771144 23.67320460
-0.00053566 0.00043201 0.00040540
0.05604147 0.00819131 -0.01666271
-2.87884991 6.18404331 -7.90170154
-0.00041434 -0.00079887 -0.00018565
-0.00477517 -0.00290369 -0.00456302
-4.38880975 6.56291851 -5.43765403
-0.00025598 0.00007402 0.00130026
-0.03311478 0.00899360 0.00813601
-21.88414067 29.80400625 3.00497573
-0.00022888 -0.00016269 -0.00068416
0.02335452 -0.00051157 0.01088561
-21.40532028 31.02311257 5.58686142
0.00028657 0.00008847 -0.00028460
0.02498170 -0.01601469 -0.02425276
7.06106502 -0.21846982 5.88325375
0.00055119 -0.00056675 -0.00034757
0.00404061 0.02743497 0.02017808
7.18268422 2.27901402 7.97165230
-0.00040513 0.00045951 0.00043508
-0.00737196 0.00205481 -0.01353065
6.89875846 12.63289983 -12.91841949
0.00011017 -0.00003648 0.00042993
0.00773622 -0.00331563 -0.00403581
5.07091094 11.89689680 -14.88399446
0.00123205 -0.00032062 0.00112437
-0.01655941 0.00448324 -0.02467157
14.21847959 3.94920690 -2.09182804
0.00019728 0.00004206 0.00076852
0.00769904 -0.00206464 -0.00400115
14.80472249 1.27507455 -1.35102651
0.00009985 0.00081188 0.00079245
-0.01121555 -0.02976024 0.00240042
-2.99596531 12.20064794 -0.12818897
-0.00020818 -0.00082697 -0.00025376
0.00985616 -0.00232906 -0.00425619
-5.63293068 12.90421795 0.65588557
-0.00053164 -0.00005933 -0.00083508
-0.00248472 0.00253328 -0.01106949
3.13824590 11.56835260 2.46491689
0.00036056 0.00040829 -0.00084100
0.04199772 0.01197290 0.00909305
6.15994160 11.38749797 3.06527402
0.00055824 -0.00022429 0.00011483
-0.00720590 0.00732248 -0.00788536
25.20418259 -12.74226439 -8.47852742
0.00019370 -0.00079624 -0.00037917
0.00311417 0.01346472 -0.02013273
26.31883813 -11.43438150 -11.40014690
-0.00081261 -0.00021935 -0.00053160
-0.01873475 -0.01321254 0.03098464
15.77826796 -2.80398597 0.55336417
0.00108911 -0.00004518 -0.00019464
-0.00103496 -0.01397977 -0.01308279
16.91004766 -5.30373113 -0.74479298
-0.00029689 0.00115248 -0.00000625
-0.00175177 0.00075547 0.00504051
12.01940634 8.12259595 11.53065179
0.00013711 0.00034941 0.00009378
0.03102087 -0.01270122 -0.01024394
13.47611126 9.50283163 9.54707500
0.00090006 -0.00054858 -0.00044120
0.01490610 0.00567668 -0.00716658
0.03517525 -14.62508787 17.36052087
-0.00003892 -0.00037550 -0.00060808
-0.00929593 -0.00164131 -0.00289353
1.77452544 -12.72172581 18.79163244
0.00101716 -0.00064086 -0.00007624
-0.00123609 0.00019706 -0.00542566
-3.79108388 -1.73721076 -12.71312925
0.00068015 0.00062646 0.00068419
-0.00219436 -0.01550269 0.02706495
-2.74889861 -1.87251926 -15.36872141
0.00060439 -0.00002572 0.00127630
-0.02119586 0.03465722 0.02232447
14.77034997 -8.02884430 -10.64606262
-0.00022173 0.00043965 0.00029713
-0.00440405 0.00002833 0.02303520
16.41429636 -6.15272668 -9.01020467
0.00044448 -0.00002113 -0.00041703
-0.02343856 -0.02504599 0.00116980
7.08828202 -5.75490562 8.53797691
0.00028484 0.00046115 0.00104109
-0.01245892 0.01231165 -0.00038205
9.75832016 -6.56064421 7.95356505
0.00046746 -0.00024113 0.00046205
0.02864618 0.00928903 -0.02403070
-21.14223454 2.12655753 21.05068439
0.00118017 0.00009508 -0.00060519
-0.00828914 -0.00567580 -0.00365825
-22.36744125 1.38014318 23.76013961
0.00044226 -0.00032621 -0.00082702
-0.00146307 -0.00388203 -0.01146316
26.88421524 -2.86807979 -6.83972367
0.00052201 0.00038113 -0.00031292
0.00733351 -0.00014028 0.00454799
25.49132201 -1.39647626 -8.94983122
0.00059931 0.00059091 -0.00032301
0.00089323 -0.00302644 0.00193645
10.02614171 -15.59546789 -7.88176542
-0.00008130 -0.00040503 0.00052477
-0.00280542 -0.02182047 0.01369014
9.31628554 -12.79557630 -7.19316112
-0.00057930 0.00004323 -0.00067505
-0.00444622 -0.00318787 -0.00397887
-5.84411035 -11.34334747 18.19585301
0.00016999 -0.00024916 0.00006505
0.01808024 0.01965587 0.03098232
-6.75244000 -11.15675942 15.54518499
0.00017394 0.00027283 -0.00001084
-0.00397319 -0.00405943 -0.00057245
8.70103539 1.51866466 -29.50980623
0.00109528 0.00063990 0.00015649
0.01241625 -0.01974472 -0.00473473
5.93283807 2.41099451 -30.21727035
-0.00057086 -0.00078345 -0.00049452
0.01295287 -0.00363320 0.00691932
12.64083221 15.08305072 14.65271557
0.00125548 0.00026415 -0.00004861
0.00416004 0.00548384 -0.00618983
11.46226579 16.18012650 17.10872372
0.00039543 0.00007451 -0.00108207
-0.00164427 0.00408155 0.01711484
29.08662139 5.19236501 -4.86852504
-0.00066254 0.00046894 -0.00064835
0.00662078 -0.00743823 -0.00099478
27.06135795 6.97146151 -3.83961763
0.00009443 0.00026790 -0.00029660
0.01565299 -0.00572286 0.00558430
-9.95429334 5.03255400 6.46104954
0.00000437 0.00028201 -0.00019629
0.00331687 0.00410946 0.00460119
-8.84721794 13.37242983 2.60582599
-0.00013560 0.00002326 0.00003590
-0.00006874 -0.00392088 0.00465762
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09489674
0.30432997
405.50443345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4128241237 (a.u.)
total exchange computation time: 2.5971620083 s
-154.2438957953
-931.39516823
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4120746973 (a.u.)
total exchange computation time: 2.6008028984 s
-154.2506894382
Anderson extrapolation: theta=1.3470727159 (1.3470727159)
-931.39538119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4109582229 (a.u.)
total exchange computation time: 2.5967371464 s
-154.2606101763
Anderson extrapolation: theta=0.0508753257 (0.0508753257)
-931.39550778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4108178258 (a.u.)
total exchange computation time: 2.5957760811 s
-154.2617607986
Anderson extrapolation: theta=1.8949476771 (1.8949476771)
-931.39551222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.4107760987 (a.u.)
total exchange computation time: 2.6868059635 s
-154.2643436685
Anderson extrapolation: theta=-0.7513054509 (-0.7513054509)
-931.39576576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4109293947 (a.u.)
total exchange computation time: 2.6848421097 s
-154.2630771821
Anderson extrapolation: theta=-0.7458432333 (-0.7458432333)
-931.39576507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4107738363 (a.u.)
total exchange computation time: 2.6835281849 s
-154.2642657943
Anderson extrapolation: theta=1.9899977553 (1.9899977553)
-931.39576929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4104914376 (a.u.)
total exchange computation time: 2.6873509884 s
-154.2663304078
Anderson extrapolation: theta=0.2912110649 (0.2912110649)
-931.39577449
-118.235404 68.887768 97.335098
560.077322 1031.778970 -409.243421
441.841918 1100.666738 -311.908323
1226.367950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4104469984 (a.u.)
total exchange computation time: 2.6827089787 s
679.61580847
-1085.00371270
89.66437158
-388.30574150
-174.95605491
78.95812903
551.60419304
0.00000000
-931.39577606
4.06782269 -31.44721297 -2.21786972
-0.00006346 -0.00040795 -0.00009755
0.00250467 -0.00253068 -0.01124513
-11.61139134 -1.45133636 -9.39156862
-0.00034568 0.00011292 -0.00019571
0.00552222 -0.00513863 0.02247025
-37.53112225 2.42790207 0.22615755
0.00000081 0.00017914 -0.00012272
-0.00046173 -0.02065393 0.02472569
-11.76443786 -4.20863281 4.06232659
0.00000415 -0.00003099 0.00012825
-0.01400954 0.00372867 0.00605445
4.00914593 -4.10090814 8.76481495
-0.00023605 -0.00012873 -0.00044972
-0.00562088 -0.03224591 0.01561836
-32.78830093 -0.28665961 0.06843334
-0.00061858 0.00021257 0.00049259
-0.00884030 0.00377412 0.00013278
14.30432451 12.47745756 -13.52589172
-0.00004224 0.00005742 0.00017383
-0.08478401 0.02388290 -0.02385586
-7.74955304 6.08161011 2.69691567
0.00000933 0.00001201 0.00016990
-0.00931825 0.04739753 0.06213040
7.25187558 12.16699385 -6.17626821
-0.00010429 -0.00019980 -0.00041094
0.01504404 0.00054862 0.00331081
8.82706124 9.89723406 -19.12713642
0.00013182 -0.00019330 -0.00018451
-0.00730046 -0.00515672 0.01198906
23.18000178 17.35027320 -2.40269668
-0.00001008 0.00009468 -0.00025458
0.00364874 -0.01886050 -0.00347969
2.07648706 16.86410214 -19.66254142
-0.00008378 0.00022156 0.00018310
-0.03252013 0.03823872 0.02978325
14.01574862 -0.90100521 -5.80263843
0.00008668 0.00002109 0.00006009
-0.00296333 -0.03185972 -0.00775558
-16.11121894 -1.42532306 3.21087266
-0.00028852 -0.00018655 -0.00007594
0.01990580 0.00323241 0.00756198
-16.08306326 -2.30746962 18.76724329
0.00037772 -0.00025554 -0.00004875
-0.01733412 0.02927981 -0.00140130
0.44923318 2.14056593 -4.65645063
-0.00008732 0.00001477 0.00022014
0.00853071 -0.01937229 -0.00842852
22.73816775 -7.09908127 -8.81035354
0.00001524 -0.00008487 -0.00002371
-0.00465361 0.00493553 0.00032772
-0.75270250 -6.38340445 7.29922552
-0.00007135 -0.00020124 0.00002918
-0.02478187 -0.00622447 0.00101984
-1.79469348 -1.41669944 -19.35304831
-0.00014412 0.00001595 0.00005291
0.04097201 0.00975740 0.02528162
3.12630121 1.61903329 -9.23385659
-0.00009693 -0.00014060 0.00002235
-0.02147500 0.02163376 0.01031091
-3.59710008 17.73208991 12.34016017
0.00033492 -0.00002333 0.00005403
0.03100052 -0.02821542 0.00297697
-3.89187911 5.17031871 -11.25829181
-0.00006007 0.00018160 -0.00021271
-0.01676277 -0.01205688 -0.01254023
-7.89345239 2.71280096 -8.86859107
-0.00003515 -0.00008270 0.00006300
0.04181572 0.03707060 -0.03641586
2.50430714 27.53313737 8.94987141
0.00012806 0.00007779 0.00041344
-0.02008518 0.00967835 0.04784853
9.40934772 -6.25458607 -1.73989815
-0.00030358 -0.00004546 0.00010562
0.01266286 -0.01790889 0.01893713
-8.66604958 0.72246533 6.20233375
-0.00008106 -0.00009981 0.00021882
0.01467342 0.00431004 -0.01439568
20.52242412 10.93230772 8.71315732
0.00013915 0.00011960 -0.00008719
-0.01294972 0.02251702 -0.02259423
-1.97089965 -2.21474728 -27.61242902
0.00017653 -0.00015228 -0.00005529
0.01173878 0.00230801 -0.00988377
-14.16726838 6.16588611 8.06821388
0.00030577 -0.00002113 0.00027901
0.01211790 -0.01881102 -0.01095878
-9.70100597 7.22175082 -2.01838976
-0.00024139 0.00000721 0.00038403
0.01800704 0.00489018 -0.01272416
-1.76035497 -15.09480980 23.08454108
-0.00007145 0.00033543 -0.00050985
-0.05839159 -0.00682975 0.01166828
-2.77200036 6.28367846 -6.07638752
-0.00006917 -0.00015315 0.00012987
0.03694153 -0.01353111 -0.00667912
-20.39744728 30.14123985 4.20174116
-0.00042082 -0.00056321 0.00019870
-0.04497318 0.02578236 0.01637528
7.75920547 0.62720335 7.48851193
0.00017220 0.00050643 -0.00015266
0.00893870 -0.02456512 -0.00475020
5.79312316 11.18937678 -13.42057727
0.00001558 -0.00057747 -0.00012559
0.02321986 -0.00637284 0.02308795
15.61914258 2.82052980 -1.64404547
0.00008700 0.00019230 0.00029658
0.00746370 0.03980685 0.00107492
-4.45524114 13.03977543 -0.78533177
0.00000109 -0.00039571 0.00010683
-0.00347916 -0.00062052 0.00413226
4.79308826 12.56874456 2.51367596
-0.00011530 0.00020899 -0.00036930
-0.02933339 -0.02460434 0.01429622
25.04953874 -11.46281944 -9.83243021
-0.00020138 0.00019746 0.00028137
0.00908773 -0.00256703 0.00184580
16.88933472 -3.46384922 -0.76747555
0.00030172 0.00027041 -0.00004808
0.00349456 0.01664233 0.00546798
13.48738992 7.81719876 10.26801701
0.00038914 -0.00033117 0.00005069
-0.03594715 -0.00175273 0.01588338
1.76271494 -14.03891587 17.52035258
0.00026542 0.00017936 0.00002246
0.01261740 0.00362969 0.00162205
-3.67294404 -0.68860070 -14.15371813
0.00021480 -0.00003856 0.00001113
0.01492315 -0.01700781 -0.04199334
14.96996396 -7.56473734 -8.82843888
-0.00001147 -0.00027263 -0.00004702
0.04348672 0.01109948 -0.02929325
8.38252310 -6.94836472 8.97191718
0.00004205 0.00038561 0.00004253
-0.01429622 -0.01329507 0.02875304
-21.11056470 2.38688112 22.86668036
-0.00004497 0.00020318 0.00022209
0.01072657 0.01563279 0.00272605
25.73151333 -3.09019456 -8.23496901
0.00009075 0.00010145 -0.00007972
0.00054075 -0.00069793 -0.00125569
9.92751073 -13.93152788 -8.51848577
0.00007628 0.00004445 -0.00041896
-0.00175822 0.01238218 -0.00784332
-6.68740421 -12.30596347 16.98073552
0.00012064 0.00032276 -0.00000900
-0.01670189 -0.01179897 -0.02849669
7.51836288 2.83935619 -29.32410800
-0.00043775 -0.00052014 -0.00003726
-0.01872545 0.02284411 -0.00135814
11.04025666 15.73982744 15.42647344
-0.00033636 0.00041688 0.00028015
-0.02062072 -0.00921172 -0.01770262
28.81238845 6.36757922 -3.47792143
0.00020482 0.00025238 0.00004418
-0.02085279 0.00960443 -0.00036945
5.27635349 -32.10174454 -3.46645779
-0.00017109 -0.00062204 -0.00052567
-0.00666164 0.00545227 -0.00219000
4.86192142 -31.61738365 -0.54728219
0.00003640 -0.00085138 0.00038527
-0.00637054 0.00147442 -0.00010997
-12.18998553 -3.17066027 -9.35826995
-0.00031458 0.00080808 -0.00083840
-0.00565838 -0.00586784 -0.00466389
-12.12443778 -0.60418824 -10.87167908
0.00059096 0.00036980 -0.00011472
-0.00911307 0.00285388 -0.02165328
-38.96759681 2.37023451 1.38126023
-0.00014076 0.00046589 0.00021016
0.00777706 -0.00370431 -0.00869898
-37.86793320 3.81547399 -0.81892992
0.00039009 -0.00031908 0.00030700
-0.00477919 0.03347985 -0.02805707
-10.79253233 -5.46195573 3.18717978
-0.00071750 0.00083677 0.00051073
0.00481323 -0.01518368 -0.00329802
-10.57988116 -2.86071618 4.24366083
-0.00003442 -0.00058387 0.00086140
0.00520635 0.01640062 0.00368459
4.13954187 -2.36569097 8.41465471
-0.00046644 -0.00069928 0.00041490
0.00413752 0.02705740 -0.00605888
3.61308023 -4.17847823 10.58109428
-0.00001097 -0.00043326 -0.00078482
0.00748948 0.00328354 -0.00708602
-34.44944917 -1.08620606 0.18978012
-0.00077406 0.00060921 0.00037051
0.01290175 0.00776775 -0.00017936
-33.19257948 1.48594741 0.37526014
-0.00050368 -0.00062733 -0.00115841
-0.00371586 -0.01139092 -0.00070730
13.32294946 13.07507867 -15.09120145
-0.00133162 0.00082739 -0.00008288
0.02084483 -0.01341289 0.03196276
15.91019310 12.51338972 -14.14296553
0.00009690 -0.00043918 -0.00068190
0.06747749 -0.00447435 -0.01919684
-8.10540088 7.62530379 1.81473402
0.00079537 0.00019861 -0.00047710
-0.00148538 0.00065438 -0.00900470
-7.37009641 4.90358959 1.50173893
-0.00013967 -0.00007604 0.00017973
0.01430815 -0.04845693 -0.05126447
6.27136121 12.40511121 -7.68627335
0.00029538 -0.00032850 -0.00003266
-0.00680132 -0.00208256 -0.00300307
8.67631591 13.37816141 -6.32446299
-0.00087519 -0.00021824 0.00061179
0.00000984 0.00519638 -0.00369265
8.85521144 8.36477624 -20.03141403
0.00058835 -0.00046536 0.00030234
-0.00863652 -0.02254195 -0.01174052
10.54917875 10.43182325 -19.21411133
-0.00020488 -0.00061887 0.00062687
0.01519357 0.02033381 0.00142408
24.21922824 15.81477233 -2.79593674
0.00060301 -0.00012271 -0.00025157
-0.00525780 0.01384006 0.00197742
24.09013631 18.79114161 -3.03132857
0.00041945 -0.00014856 -0.00025096
0.02008457 -0.00261264 0.00520087
1.56159503 16.91238491 -21.38033457
-0.00032359 -0.00055973 -0.00101157
-0.00147984 -0.00270223 -0.02663256
3.36163767 15.68152267 -19.43745059
-0.00046241 -0.00030752 -0.00010297
0.03015617 -0.02953450 0.00154859
13.03444710 -1.87078886 -7.05944414
0.00079124 -0.00049441 -0.00006005
0.01096288 0.01043687 0.00028581
12.88216520 -1.06503280 -4.42094609
-0.00090315 -0.00021185 -0.00087104
-0.00448979 0.00586069 0.02126690
-17.85065632 -1.86044825 3.18125198
0.00072013 -0.00003252 0.00104562
-0.01159046 -0.01640540 -0.00449455
-15.04069653 -2.89099936 2.86270055
-0.00032761 -0.00028704 0.00079107
-0.00748912 0.00174229 0.00755140
-16.26130099 -0.57752676 19.46594787
0.00155822 -0.00035589 -0.00098048
0.00722046 -0.01819946 -0.00461533
-14.86169303 -3.15563989 19.79428915
0.00010156 0.00025501 -0.00051457
0.00732163 -0.00937679 0.00361064
-0.20916644 0.39505991 -5.04452501
0.00030751 -0.00013537 -0.00020620
-0.00782013 0.02185703 0.00462736
-0.85289561 3.36147730 -5.09262978
0.00028493 0.00109309 -0.00028757
-0.00696048 -0.00021230 0.00093442
23.85276303 -8.48001557 -9.21089335
0.00036048 0.00070512 0.00017732
-0.00113391 -0.02867440 -0.00475109
23.93392470 -5.87193635 -8.20909130
-0.00036316 0.00009594 0.00034789
-0.00095128 0.01951677 0.00350944
-0.49679432 -6.23435459 5.50279740
-0.00062578 0.00037513 -0.00028318
0.01330732 0.00336798 -0.00057100
0.82977331 -6.24145221 8.17524383
0.00031397 0.00093829 -0.00054536
0.00835304 0.00747874 -0.00709098
-0.19609923 -2.36836160 -19.54066063
0.00049401 -0.00016962 -0.00008918
-0.02437439 0.00286808 0.00077703
-3.03404614 -2.12447395 -20.41323242
0.00033459 -0.00069791 -0.00046240
-0.01248896 -0.01754957 -0.02518590
2.88155357 3.16427482 -10.22081047
0.00003272 -0.00053633 0.00015145
-0.00031397 -0.00753694 -0.01251143
1.86654817 1.80461706 -7.83421274
-0.00062911 0.00076776 0.00074212
0.01535101 0.00199411 -0.00442033
-2.02510966 16.51729614 12.39893124
-0.00020066 0.00021285 0.00024493
-0.03008902 0.02283421 -0.00470628
-3.33999058 18.54298826 13.96599063
0.00133206 0.00063860 0.00005849
0.00193427 0.01105809 0.00471077
-5.53857099 6.19120844 -11.16696887
-0.00082678 0.00083277 -0.00083096
0.02490412 -0.02773424 -0.01795518
-3.95300941 3.60654554 -12.39894209
0.00087731 -0.00011281 -0.00020283
-0.00638844 0.04364530 0.02498379
-7.84173955 1.29748613 -7.78287202
-0.00056887 -0.00037115 -0.00058525
-0.00511525 -0.01769460 0.02312801
-6.04439597 3.02090470 -9.25237845
0.00093817 -0.00044234 0.00060713
-0.04006107 -0.00119823 0.00672875
2.97709793 27.44123685 7.25883068
-0.00036786 -0.00088805 -0.00008183
0.00402786 0.00156667 -0.03705936
1.32522875 28.95441046 9.08982943
0.00039347 0.00024167 -0.00006993
0.00899689 -0.01354084 -0.00236760
10.57010849 -7.06724928 -0.46659021
-0.00008669 0.00075629 0.00060144
-0.02043041 0.00971776 -0.02082011
8.28342829 -7.58763368 -2.35799906
-0.00043413 -0.00032141 0.00061468
0.00907710 0.01055846 0.00726751
-7.13076253 0.01106529 7.00049382
-0.00007515 -0.00060219 0.00101852
-0.01321548 0.00454112 0.00357343
-10.19590582 0.59340132 7.15416509
0.00063906 0.00019634 -0.00028952
-0.00233435 -0.01510008 0.01279570
20.99286588 11.17097050 10.44023895
-0.00066911 0.00046117 0.00012718
0.00627374 -0.00252653 0.00954519
20.36704655 12.72469026 8.06685727
0.00018177 0.00043432 -0.00085038
0.01172970 -0.02295939 0.00925260
-0.92806654 -3.36711143 -26.62699216
-0.00068364 -0.00045077 -0.00158183
-0.00323898 -0.01376675 -0.00276986
-3.30864702 -1.89646904 -26.46632879
-0.00022471 0.00058713 0.00022081
-0.02447388 0.00584476 0.01206059
-13.46317035 6.87853324 9.57419971
0.00003278 -0.00067205 0.00066665
-0.00603277 0.00803802 0.00751115
-15.24263072 7.41203986 7.31560302
0.00035244 0.00058109 0.00043223
-0.00150925 0.00879644 0.00531162
-11.44749258 7.69028585 -1.97216155
-0.00064843 -0.00093511 0.00093182
-0.00785100 -0.00035120 -0.01005048
-8.86882518 8.09867910 -3.48815135
-0.00026507 -0.00030471 0.00058529
-0.01317340 -0.00363340 0.01651330
-0.96896497 -16.64732325 22.47018529
0.00090955 -0.00006012 -0.00080857
-0.00504975 -0.00453670 0.00493729
-3.59586846 -15.53098033 23.67877505
-0.00030129 0.00046478 0.00033464
0.05868602 0.00785112 -0.01797725
-2.88521135 6.17197123 -7.90462608
-0.00043508 -0.00080994 -0.00019908
-0.00537641 -0.00251546 -0.00201352
-4.39366422 6.56430439 -5.41790086
-0.00037907 0.00010872 0.00132753
-0.02713944 0.00799281 0.00521557
-21.88685824 29.80155016 2.99504695
-0.00013250 -0.00016405 -0.00063666
0.02382580 -0.00015068 0.01236517
-21.40025625 31.02394889 5.58184932
0.00038504 0.00002432 -0.00038062
0.02321924 -0.01538671 -0.02275229
7.06945673 -0.22613032 5.87865846
0.00056746 -0.00045119 -0.00026201
0.00392389 0.02912983 0.02170828
7.17638138 2.28596959 7.97776390
-0.00043411 0.00046362 0.00037757
-0.00681290 -0.00004245 -0.01462015
6.90064803 12.63225096 -12.91209420
0.00013812 -0.00005596 0.00041257
0.00594430 -0.00621835 -0.00446103
5.08888427 11.89222495 -14.86788495
0.00115279 -0.00029235 0.00100062
-0.02224067 0.00935051 -0.03590572
14.22167470 3.94977460 -2.08042287
0.00022580 0.00003674 0.00075074
0.00626277 -0.00054059 -0.00470249
14.80587653 1.28634085 -1.33906621
0.00005078 0.00068277 0.00080410
-0.01280298 -0.03344147 0.00330064
-2.99878593 12.18817209 -0.13212578
-0.00016800 -0.00083722 -0.00026960
0.00981216 -0.00269006 -0.00349702
-5.64098136 12.90340563 0.64302010
-0.00054353 -0.00005001 -0.00087540
-0.00333770 0.00202722 -0.00866763
3.14494124 11.57484381 2.45258047
0.00052694 0.00045427 -0.00080327
0.03944677 0.01053597 0.00937616
6.16809442 11.38435802 3.06675490
0.00052147 -0.00018823 0.00007940
-0.01079637 0.01032727 -0.00945981
25.20718349 -12.75379537 -8.48483193
0.00020555 -0.00073871 -0.00046293
0.00268683 0.01469810 -0.02086848
26.30607485 -11.43807666 -11.40717150
-0.00088983 -0.00027299 -0.00040280
-0.01906312 -0.01304488 0.03206714
15.79457283 -2.80509199 0.55004369
0.00107845 -0.00009742 -0.00024081
-0.00417975 -0.01159377 -0.00951596
16.90554062 -5.28642071 -0.74473232
-0.00030330 0.00114208 0.00001369
-0.00138756 -0.00584733 0.00472247
12.02241358 8.12744793 11.53174464
0.00026527 0.00029686 0.00005081
0.03171610 -0.01302354 -0.01079027
13.49006888 9.49477681 9.54023737
0.00096055 -0.00052507 -0.00047012
0.01470446 0.00583331 -0.00698858
0.03430664 -14.63077061 17.35131100
-0.00006973 -0.00037809 -0.00061798
-0.00578900 0.00036954 -0.00195111
1.78974498 -12.73133262 18.79032251
0.00101026 -0.00063281 -0.00009140
-0.00214199 0.00374075 -0.00199259
-3.78094884 -1.72828891 -12.70203708
0.00067110 0.00056549 0.00079230
-0.00223660 -0.01434270 0.02585735
-2.74048233 -1.87184308 -15.34889282
0.00052062 0.00011163 0.00136138
-0.01980865 0.03257489 0.01932061
14.76688900 -8.02224864 -10.64089975
-0.00024102 0.00043692 0.00038464
-0.00503457 -0.00136803 0.01980139
16.42024526 -6.15381119 -9.01642431
0.00034755 -0.00012409 -0.00041066
-0.02400652 -0.02535316 0.00195000
7.09217280 -5.74761114 8.55358163
0.00023170 0.00051508 0.00103681
-0.01355323 0.01408702 -0.00171562
9.76620991 -6.56397646 7.95975936
0.00058277 -0.00020242 0.00036407
0.02779906 0.00965606 -0.02392905
-21.12478601 2.12780988 21.04149448
0.00114613 0.00007352 -0.00060814
-0.00837365 -0.00488190 0.00221542
-22.36085216 1.37513111 23.74738297
0.00043047 -0.00034635 -0.00086959
-0.00430654 -0.00597865 -0.00937477
26.89227014 -2.86236710 -6.84427806
0.00055059 0.00037949 -0.00029572
0.00665749 -0.00066439 0.00387044
25.50033897 -1.38770537 -8.95461699
0.00060290 0.00057300 -0.00031309
0.00086777 -0.00573909 0.00291841
10.02483620 -15.60221194 -7.87347429
-0.00009328 -0.00048096 0.00057503
-0.00305776 -0.01535079 0.01091126
9.30745975 -12.79502552 -7.20340877
-0.00059711 0.00003088 -0.00069134
-0.00426984 -0.00285952 -0.00399398
-5.84100653 -11.34648262 18.19777812
0.00024538 -0.00016675 0.00019338
0.01882790 0.02068661 0.03183804
-6.74995258 -11.15279140 15.54500484
0.00015801 0.00025662 -0.00001289
-0.00382657 -0.00387279 -0.00043113
8.71784513 1.52765813 -29.50760399
0.00114263 0.00056133 0.00013640
0.01075758 -0.01871647 -0.00509776
5.92467206 2.39913142 -30.22447612
-0.00051339 -0.00079862 -0.00046442
0.01517932 -0.00379114 0.00781242
12.65979192 15.08718104 14.65179668
0.00125854 0.00029122 -0.00006976
-0.00266499 0.00776583 -0.00416085
11.46814692 16.18136919 17.09301711
0.00039241 0.00009691 -0.00099179
0.00016572 0.00688330 0.02707802
29.07688623 5.19917119 -4.87828074
-0.00063437 0.00044008 -0.00064905
0.00716776 -0.00669011 0.00065124
27.06325400 6.97530463 -3.84389558
0.00015943 0.00024500 -0.00027214
0.01616448 -0.00548495 0.00639039
-9.95421886 5.03679514 6.45811758
0.00000555 0.00028343 -0.00019461
0.00326653 0.00385346 0.00475087
-8.84925208 13.37277189 2.60637253
-0.00013562 0.00002236 0.00003699
-0.00011960 -0.00384031 0.00479775
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09514751
0.30062855
400.57247379
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4119777264 (a.u.)
total exchange computation time: 2.6823959351 s
-154.2427226916
-931.39252837
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4112026536 (a.u.)
total exchange computation time: 2.6832149029 s
-154.2497210595
Anderson extrapolation: theta=1.3164354704 (1.3164354704)
-931.39273276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4100878270 (a.u.)
total exchange computation time: 2.6855390072 s
-154.2596317275
Anderson extrapolation: theta=0.0505766107 (0.0505766107)
-931.39285143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4099571220 (a.u.)
total exchange computation time: 2.6876120567 s
-154.2607237745
Anderson extrapolation: theta=1.9837914275 (1.9837914275)
-931.39285590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4096766909 (a.u.)
total exchange computation time: 2.6841049194 s
-154.2630201991
Anderson extrapolation: theta=0.2435178555 (0.2435178555)
-931.39286066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4096047691 (a.u.)
total exchange computation time: 2.6846179962 s
-154.2635679648
Anderson extrapolation: theta=1.8791199289 (1.8791199289)
-931.39286159
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4094927414 (a.u.)
total exchange computation time: 2.6848011017 s
-154.2643742644
Anderson extrapolation: theta=0.2865803741 (0.2865803741)
-931.39286261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4094841973 (a.u.)
total exchange computation time: 2.6830148697 s
-154.2643882056
Anderson extrapolation: theta=1.2530337101 (1.2530337101)
-931.39286284
-118.257058 68.929904 97.287697
560.133788 1031.772532 -409.242911
441.876730 1100.702436 -311.955215
1226.424459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4094913257 (a.u.)
total exchange computation time: 2.6853961945 s
679.61301775
-1084.98897715
89.66141716
-388.31462061
-174.95420880
78.94880472
551.60419304
0.00000000
-931.39286298
4.06688048 -31.45334194 -2.21937642
-0.00006160 -0.00040946 -0.00010299
0.00471773 -0.00333877 -0.00987263
-11.61655528 -1.44966236 -9.39441754
-0.00034229 0.00011143 -0.00018396
0.00768110 -0.00067006 0.02320691
-37.53111190 2.43050951 0.22441211
0.00000044 0.00016739 -0.00010884
-0.00096089 -0.02503025 0.02927116
-11.76442959 -4.20908327 4.06427374
-0.00000463 -0.00002796 0.00013243
-0.02015438 0.00806126 0.01018470
4.00558350 -4.10296352 8.75812941
-0.00023888 -0.00014668 -0.00044191
-0.00538384 -0.03754618 0.01474529
-32.79761367 -0.28345646 0.07582271
-0.00062263 0.00021253 0.00049219
-0.00693037 -0.00393319 -0.00167212
14.30336382 12.47841096 -13.52337626
-0.00008475 0.00007005 0.00016039
-0.08051106 0.02523301 -0.02842931
-7.74944909 6.08197311 2.69970378
0.00000460 0.00003649 0.00020081
-0.00904947 0.04780276 0.05807384
7.25036921 12.16399901 -6.18241959
-0.00009685 -0.00020038 -0.00040821
0.01391900 -0.00281175 0.00730274
8.82901044 9.89431466 -19.12985778
0.00012717 -0.00019631 -0.00017844
-0.01080530 -0.00652828 0.01161705
23.17986459 17.35162057 -2.40652883
-0.00000763 0.00008439 -0.00025655
0.00590650 -0.02114700 -0.00417800
2.07510496 16.86757301 -19.65968010
-0.00010082 0.00024085 0.00019575
-0.03375255 0.03678983 0.01942983
14.01703743 -0.90081175 -5.80176696
0.00008517 0.00000477 0.00005613
-0.00291123 -0.03160137 -0.00765043
-16.11547000 -1.42810884 3.20976271
-0.00027615 -0.00018419 -0.00007199
0.02822485 0.00592715 0.00779654
-16.07746433 -2.31118975 18.76650666
0.00036809 -0.00024070 -0.00005057
-0.02011141 0.02843910 -0.00568136
0.44795633 2.14071274 -4.65318100
-0.00008344 0.00000557 0.00021549
0.00655473 -0.01640356 -0.00967289
22.73837837 -7.10033534 -8.81070799
0.00001255 -0.00008169 -0.00002332
-0.00579562 0.00745981 0.00120949
-0.75386832 -6.38644711 7.29966713
-0.00008360 -0.00020431 0.00002927
-0.02285377 -0.00568201 -0.00066414
-1.79669718 -1.41642262 -19.35215706
-0.00012290 0.00002004 0.00006516
0.04153284 0.00618197 0.02235172
3.12476439 1.61700775 -9.23348157
-0.00010874 -0.00012990 0.00002905
-0.02444440 0.01996414 0.01572638
-3.59195669 17.73163120 12.34098210
0.00035033 -0.00003700 0.00005634
0.02893069 -0.02495424 0.00601804
-3.89284477 5.17299626 -11.26153079
-0.00006929 0.00017590 -0.00021902
-0.01910479 -0.01012750 -0.01202831
-7.89381837 2.71170349 -8.86778660
-0.00001283 -0.00006350 0.00004416
0.04498121 0.03759733 -0.03682791
2.50615051 27.53434159 8.95625755
0.00011836 0.00008257 0.00043665
-0.01763018 0.00888156 0.04242618
9.40484281 -6.25533702 -1.73824074
-0.00029715 -0.00005459 0.00011538
0.01237258 -0.01759831 0.01901463
-8.66720883 0.72098482 6.20556051
-0.00007119 -0.00009791 0.00021102
0.02368522 0.00306680 -0.01594395
20.52446146 10.93418854 8.71176230
0.00013249 0.00013161 -0.00009891
-0.01296024 0.02421087 -0.02296303
-1.96820638 -2.21702256 -27.61329654
0.00018022 -0.00014949 -0.00006069
0.00261473 0.00854927 -0.01110988
-14.16263511 6.16549666 8.07235671
0.00031151 -0.00003025 0.00027307
0.01020765 -0.01668445 -0.01213737
-9.70455738 7.22187777 -2.01267841
-0.00023264 0.00000944 0.00037805
0.01601507 0.00380781 -0.01054519
-1.76165194 -15.08980469 23.07693833
-0.00010072 0.00033091 -0.00050421
-0.05543689 -0.01075614 0.01027061
-2.77289535 6.28132908 -6.07446516
-0.00005188 -0.00015986 0.00012659
0.03025735 -0.01259514 -0.00608026
-20.40393311 30.13289118 4.20478489
-0.00044321 -0.00055044 0.00020618
-0.04207053 0.02387872 0.01269653
7.76182299 0.63470501 7.48620377
0.00017663 0.00049410 -0.00015514
0.00827589 -0.02338563 -0.00489163
5.79344637 11.18069017 -13.42237208
0.00002922 -0.00058106 -0.00011104
0.02982684 -0.00758749 0.03348101
15.62047634 2.82356792 -1.63959267
0.00009142 0.00021277 0.00029715
0.00974164 0.03978265 0.00113455
-4.45523826 13.03383736 -0.78371343
-0.00000033 -0.00039587 0.00010812
-0.00203594 0.00001292 0.00087909
4.79124558 12.57178450 2.50819154
-0.00012849 0.00019616 -0.00036169
-0.02193209 -0.02526860 0.01529623
25.04655316 -11.45986739 -9.82820257
-0.00019649 0.00019586 0.00028216
0.00990434 -0.00368044 0.00125093
16.89387396 -3.45972882 -0.76817574
0.00030425 0.00027996 -0.00004625
0.00637132 0.02049119 0.00168144
13.49308833 7.81222450 10.26883860
0.00037086 -0.00033191 0.00005878
-0.03514204 -0.00115698 0.01559323
1.76674484 -14.03621143 17.52069574
0.00027104 0.00017973 0.00002210
0.00926284 -0.00219397 -0.00303943
-3.66966448 -0.68924473 -14.15371321
0.00022185 -0.00004701 -0.00000875
0.01250013 -0.01583799 -0.03529009
14.96995964 -7.56878404 -8.82925719
0.00001098 -0.00026640 -0.00006103
0.04379945 0.01313780 -0.02518196
8.38309866 -6.94263181 8.97266600
0.00003538 0.00037831 0.00005719
-0.01161093 -0.01511380 0.02826264
-21.11119780 2.38998905 22.87002225
-0.00003876 0.00021157 0.00022143
0.01338933 0.01701154 -0.00530051
25.73287665 -3.08867546 -8.23616970
0.00009123 0.00010182 -0.00008038
0.00131072 0.00212649 -0.00130838
9.92864818 -13.93081335 -8.52480047
0.00007545 0.00004892 -0.00042220
-0.00149566 0.00500980 -0.00474262
-6.68565909 -12.30116752 16.98049065
0.00011209 0.00031658 -0.00002339
-0.01652640 -0.01223451 -0.02747836
7.51172445 2.83164227 -29.32467207
-0.00044714 -0.00050887 -0.00003802
-0.01780464 0.02098061 -0.00162632
11.03513167 15.74604510 15.43060736
-0.00034557 0.00041093 0.00026803
-0.01518370 -0.01392098 -0.02942715
28.81538031 6.37140190 -3.47726019
0.00019408 0.00025692 0.00004332
-0.02092099 0.00808217 -0.00296890
5.27358307 -32.11090802 -3.47440988
-0.00020032 -0.00059831 -0.00053151
-0.00764774 0.00616184 -0.00066894
4.86227222 -31.63010923 -0.54150655
0.00000828 -0.00084434 0.00037880
-0.00739367 0.00197407 -0.00305789
-12.19487769 -3.15871888 -9.37098889
-0.00034103 0.00077379 -0.00085688
-0.00728544 -0.01091541 -0.00437958
-12.11585271 -0.59855374 -10.87406342
0.00055324 0.00038326 -0.00020556
-0.00935031 0.00373439 -0.02281516
-38.96946991 2.37710934 1.38414614
-0.00010585 0.00045067 0.00017190
0.00931341 -0.00374572 -0.01003097
-37.86222828 3.81171365 -0.81518462
0.00036832 -0.00017321 0.00018548
-0.00587953 0.03792718 -0.03142889
-10.80314738 -5.44986943 3.19473964
-0.00068834 0.00076158 0.00048793
0.00946037 -0.02162099 -0.00786206
-10.58023788 -2.86897164 4.25669475
-0.00000981 -0.00051239 0.00087720
0.00684125 0.01858738 0.00404773
4.13267206 -2.37535100 8.42069250
-0.00044850 -0.00057580 0.00038672
0.00464540 0.03338340 -0.00773518
3.61314516 -4.18487650 10.56910488
0.00001809 -0.00042093 -0.00080818
0.00673721 0.00275152 -0.00435007
-34.46066477 -1.07682993 0.19533224
-0.00072197 0.00063950 0.00036992
0.01259941 0.00706289 -0.00010659
-33.20024849 1.47618834 0.35786233
-0.00052181 -0.00065691 -0.00115812
-0.00516055 -0.00308670 0.00084728
13.30361388 13.08707846 -15.09146518
-0.00123918 0.00076882 0.00005437
0.02440386 -0.01525533 0.03522124
15.91371425 12.50666497 -14.15378235
0.00035928 -0.00045754 -0.00075735
0.06096056 -0.00451577 -0.01773510
-8.09351591 7.62830292 1.80730163
0.00078985 0.00019723 -0.00051075
-0.00121469 -0.00132821 -0.00747012
-7.37175308 4.90096420 1.50286404
-0.00008190 -0.00027179 -0.00002653
0.01397112 -0.04736599 -0.04970538
6.27558347 12.40011990 -7.68685530
0.00026297 -0.00033556 -0.00005221
-0.00906042 -0.00137581 -0.00656650
8.66318842 13.37504709 -6.31539932
-0.00086893 -0.00019200 0.00059562
0.00305029 0.00764805 -0.00422043
8.86377211 8.35710516 -20.02723862
0.00055266 -0.00055673 0.00025504
-0.00883496 -0.02218437 -0.01141528
10.54657110 10.42316326 -19.20466467
-0.00013582 -0.00053312 0.00063256
0.01861114 0.02164227 0.00136357
24.22811232 15.81335581 -2.79964970
0.00057801 -0.00006266 -0.00024193
-0.00698185 0.01555479 0.00274212
24.09704352 18.78883321 -3.03493367
0.00050003 -0.00015882 -0.00022945
0.01936198 -0.00241141 0.00533014
1.55669590 16.90390617 -21.39632416
-0.00032462 -0.00056998 -0.00110105
0.00097231 -0.00231512 -0.01716850
3.35562566 15.67600487 -19.43894773
-0.00034108 -0.00042652 -0.00009615
0.02923470 -0.02871687 0.00179136
13.04665160 -1.87788518 -7.06033612
0.00083590 -0.00045248 -0.00005986
0.01090158 0.01008973 -0.00019527
12.86848031 -1.06803100 -4.43336008
-0.00092183 -0.00018750 -0.00078307
-0.00465308 0.00606151 0.02179779
-17.84020949 -1.86143873 3.19679853
0.00065507 -0.00010383 0.00102723
-0.02025910 -0.01850199 -0.00450476
-15.04584014 -2.89525162 2.87479800
-0.00035728 -0.00028098 0.00082109
-0.00703319 0.00122713 0.00714318
-16.23770648 -0.58342284 19.45109917
0.00158550 -0.00042302 -0.00099686
0.00613263 -0.01465885 -0.00339835
-14.85994524 -3.15210213 19.78668119
0.00013922 0.00021040 -0.00049383
0.01111341 -0.01245704 0.00654602
-0.20479340 0.39369913 -5.04747619
0.00027463 -0.00004502 -0.00018698
-0.00827450 0.02236716 0.00477822
-0.84883496 3.37786713 -5.09691469
0.00026102 0.00108574 -0.00028175
-0.00474374 -0.00338498 0.00191225
23.85813551 -8.47031744 -9.20837912
0.00035890 0.00058340 0.00015663
0.00036045 -0.03090650 -0.00537899
23.92844818 -5.86989913 -8.20376540
-0.00036733 0.00017554 0.00036212
-0.00109347 0.01944511 0.00345388
-0.50577321 -6.22862439 5.49853224
-0.00057223 0.00038860 -0.00028145
0.01290653 0.00322479 0.00141897
0.83473885 -6.22714862 8.16684614
0.00034562 0.00096831 -0.00057541
0.00713710 0.00721219 -0.00762025
-0.18943595 -2.37081806 -19.54197446
0.00038859 -0.00015387 -0.00008463
-0.02723265 0.00484266 0.00144736
-3.02940997 -2.13548031 -20.42094025
0.00028765 -0.00076670 -0.00056140
-0.01049037 -0.01612516 -0.02327489
2.88203477 3.15599894 -10.21892209
0.00003087 -0.00056180 0.00009646
-0.00059009 -0.00493141 -0.01440723
1.85758188 1.81619450 -7.82321644
-0.00055919 0.00077356 0.00071705
0.01887697 0.00084874 -0.00784841
-2.02904164 16.52118863 12.40246097
-0.00031952 0.00030231 0.00022445
-0.02809144 0.02095489 -0.00531742
-3.31995040 18.55290611 13.96701229
0.00133772 0.00068103 0.00007266
0.00083543 0.00971083 0.00222733
-5.55020949 6.20285010 -11.17998345
-0.00071876 0.00071462 -0.00090412
0.02796811 -0.03009927 -0.01785574
-3.94004546 3.60619078 -12.40121900
0.00084981 0.00006657 -0.00010066
-0.00707379 0.04416151 0.02503270
-7.85042934 1.29137668 -7.79094211
-0.00058992 -0.00044465 -0.00048991
-0.00518917 -0.01828682 0.02354244
-6.03155097 3.01423281 -9.24306533
0.00076716 -0.00044748 0.00063509
-0.04365037 -0.00131335 0.00695629
2.97170343 27.42796405 7.25646765
-0.00035436 -0.00088145 -0.00022407
0.00258336 0.00166695 -0.03256785
1.33140651 28.95762056 9.08870791
0.00042882 0.00018768 -0.00007937
0.00830896 -0.01288767 -0.00225352
10.56818207 -7.05560712 -0.45820658
-0.00017103 0.00079506 0.00051530
-0.02085548 0.00925970 -0.02134628
8.27719456 -7.59213133 -2.34855623
-0.00039592 -0.00027754 0.00064517
0.00962546 0.01091974 0.00766125
-7.13229469 0.00217155 7.01588110
-0.00013397 -0.00058036 0.00102879
-0.01557851 0.00614421 0.00145519
-10.18639149 0.59588375 7.15021434
0.00061617 0.00013411 -0.00022959
-0.00886925 -0.01536212 0.01654367
20.98302149 11.17781061 10.44243921
-0.00064396 0.00045128 0.00016483
0.00603754 -0.00231286 0.00888071
20.37013254 12.73050146 8.05438512
0.00023054 0.00033607 -0.00080962
0.01214201 -0.02513314 0.01069742
-0.93842046 -3.37429487 -26.65080448
-0.00068793 -0.00051601 -0.00158340
0.00114012 -0.01816700 0.00200024
-3.31276764 -1.88748294 -26.46264711
-0.00031494 0.00060801 0.00026313
-0.01969467 0.00437611 0.00865859
-13.46286358 6.86869877 9.58442962
0.00000829 -0.00063902 0.00069776
-0.00595394 0.00813202 0.00771683
-15.23739042 7.42102580 7.32224924
0.00034935 0.00061315 0.00045646
-0.00000231 0.00689567 0.00654904
-11.45745968 7.67624850 -1.95849219
-0.00067693 -0.00093647 0.00088929
-0.00609992 -0.00031697 -0.01077161
-8.87320486 8.09399708 -3.47886594
-0.00031892 -0.00031719 0.00064959
-0.01318644 -0.00247577 0.01496256
-0.95547644 -16.64836412 22.45820798
0.00088226 -0.00006987 -0.00078368
-0.00831183 -0.00023480 0.00724755
-3.59858943 -15.52376805 23.68324375
-0.00005880 0.00049572 0.00025936
0.06001239 0.00729620 -0.01887161
-2.89190228 6.15974498 -7.90767403
-0.00045816 -0.00081936 -0.00020206
-0.00591979 -0.00209131 0.00055597
-4.40018197 6.56618012 -5.39782805
-0.00047576 0.00013897 0.00134188
-0.02019011 0.00681413 0.00180990
-21.88811562 29.79908483 2.98587598
-0.00003501 -0.00016408 -0.00058373
0.02389384 0.00013633 0.01354351
-21.39376920 31.02384221 5.57544281
0.00047522 -0.00003621 -0.00046901
0.02092442 -0.01424309 -0.02051622
7.07808893 -0.23200557 5.87539360
0.00058293 -0.00032950 -0.00017120
0.00364603 0.03043896 0.02273999
7.16966099 2.29292257 7.98297949
-0.00046059 0.00045912 0.00031576
-0.00614874 -0.00215817 -0.01563619
6.90290191 12.63122100 -12.90604232
0.00015888 -0.00008691 0.00039347
0.00421786 -0.00893092 -0.00488764
5.10549456 11.88812616 -14.85397596
0.00105168 -0.00024472 0.00083310
-0.02725109 0.01396782 -0.04609571
14.22525364 3.95030916 -2.06930590
0.00024803 0.00003791 0.00073008
0.00461813 0.00111010 -0.00540998
14.80624593 1.29555764 -1.32690362
-0.00000326 0.00054173 0.00081887
-0.01365275 -0.03559891 0.00392939
-3.00100519 12.17553136 -0.13627692
-0.00012859 -0.00084866 -0.00028244
0.00947564 -0.00290945 -0.00278998
-5.64923659 12.90271755 0.62962342
-0.00055910 -0.00004286 -0.00090560
-0.00428543 0.00147603 -0.00611085
3.15405412 11.58198073 2.44081868
0.00068073 0.00049331 -0.00076462
0.03583435 0.00857569 0.00954661
6.17558557 11.38185099 3.06765601
0.00047117 -0.00014072 0.00003796
-0.01382507 0.01293249 -0.01082602
25.21034906 -12.76442555 -8.49241538
0.00021569 -0.00067701 -0.00054868
0.00227897 0.01550207 -0.02110339
26.29214326 -11.44257129 -11.41223083
-0.00096783 -0.00032575 -0.00027033
-0.01911834 -0.01278011 0.03277617
15.81062153 -2.80690854 0.54614001
0.00105442 -0.00013940 -0.00027154
-0.00758495 -0.00895481 -0.00552805
16.90094855 -5.26946866 -0.74438225
-0.00030825 0.00110451 0.00003221
-0.00103581 -0.01254352 0.00434415
12.02736458 8.13150175 11.53217619
0.00039521 0.00024331 0.00000630
0.03188964 -0.01318855 -0.01099846
13.50492768 9.48707950 9.53297144
0.00101999 -0.00050150 -0.00049796
0.01439375 0.00570420 -0.00664014
0.03308324 -14.63643070 17.34198156
-0.00008599 -0.00037237 -0.00062394
-0.00217087 0.00243165 -0.00096934
1.80483324 -12.74071017 18.78889047
0.00099979 -0.00061020 -0.00009230
-0.00298442 0.00732926 0.00155183
-3.77095087 -1.72024607 -12.68936022
0.00066204 0.00051066 0.00089327
-0.00220030 -0.01249445 0.02356522
-2.73328004 -1.86917051 -15.32788015
0.00044384 0.00023876 0.00143274
-0.01777354 0.02965944 0.01561263
14.76311949 -8.01573681 -10.63452332
-0.00026303 0.00042825 0.00045759
-0.00574159 -0.00287620 0.01590667
16.42472289 -6.15644949 -9.02252444
0.00024900 -0.00022760 -0.00040108
-0.02423520 -0.02531507 0.00273883
7.09523296 -5.73945331 8.56908120
0.00017513 0.00057531 0.00102742
-0.01413621 0.01539623 -0.00287988
9.77580336 -6.56671693 7.96448715
0.00069165 -0.00016293 0.00026859
0.02549554 0.00967516 -0.02280889
-21.10785067 2.12876304 21.03244034
0.00111167 0.00005524 -0.00058752
-0.00849210 -0.00406370 0.00787748
-22.35452700 1.36975264 23.73405180
0.00040723 -0.00037507 -0.00090359
-0.00707024 -0.00808108 -0.00726897
26.90073305 -2.85669513 -6.84859525
0.00057603 0.00037565 -0.00028166
0.00579489 -0.00121594 0.00301039
25.50940912 -1.37928619 -8.95922391
0.00060624 0.00054444 -0.00029932
0.00076624 -0.00824025 0.00382137
10.02334329 -15.60989679 -7.86451445
-0.00010626 -0.00052957 0.00061337
-0.00329759 -0.00844445 0.00785725
9.29837229 -12.79464998 -7.21390121
-0.00061420 0.00001992 -0.00070758
-0.00409481 -0.00250603 -0.00395936
-5.83674882 -11.34834997 18.20165446
0.00032198 -0.00008214 0.00032245
0.01866672 0.02072862 0.03134061
-6.74769968 -11.14906073 15.54479827
0.00014277 0.00024135 -0.00001443
-0.00363570 -0.00360157 -0.00032038
8.73531416 1.53550454 -29.50571418
0.00118153 0.00048868 0.00011510
0.00828665 -0.01684387 -0.00532825
5.91743634 2.38703599 -30.23120310
-0.00044773 -0.00081446 -0.00043114
0.01696177 -0.00396425 0.00847981
12.67858830 15.09178730 14.65062278
0.00123494 0.00032693 -0.00008315
-0.00888347 0.00971524 -0.00239180
11.47403820 16.18303373 17.07897002
0.00039687 0.00013035 -0.00086216
0.00201514 0.00948667 0.03637761
29.06759035 5.20556737 -4.88799653
-0.00060407 0.00041453 -0.00064276
0.00766349 -0.00581477 0.00242669
27.06614070 6.97881159 -3.84778189
0.00022547 0.00022344 -0.00024466
0.01616589 -0.00507225 0.00706176
-9.95412685 5.04105697 6.45521112
0.00000671 0.00028477 -0.00019290
0.00321109 0.00360034 0.00485306
-8.85128663 13.37310058 2.60693577
-0.00013566 0.00002148 0.00003812
-0.00017138 -0.00375745 0.00495499
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09514627
0.29771671
396.69258769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4100739375 (a.u.)
total exchange computation time: 2.6857738495 s
-154.2321874265
-931.39065954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4091905009 (a.u.)
total exchange computation time: 2.6841621399 s
-154.2401791092
Anderson extrapolation: theta=1.3614410116 (1.3614410116)
-931.39089055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4078823721 (a.u.)
total exchange computation time: 2.6828339100 s
-154.2518863191
Anderson extrapolation: theta=0.0511270956 (0.0511270956)
-931.39102926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4077345211 (a.u.)
total exchange computation time: 2.6840498447 s
-154.2531724529
Anderson extrapolation: theta=1.8700255966 (1.8700255966)
-931.39103398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4074366252 (a.u.)
total exchange computation time: 2.6827330589 s
-154.2557317879
Anderson extrapolation: theta=0.2076984611 (0.2076984611)
-931.39103835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4073703473 (a.u.)
total exchange computation time: 2.6841368675 s
-154.2562747907
Anderson extrapolation: theta=1.8858321206 (1.8858321206)
-931.39103905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4072670588 (a.u.)
total exchange computation time: 2.6853117943 s
-154.2570929991
Anderson extrapolation: theta=0.2871213205 (0.2871213205)
-931.39103980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4072596400 (a.u.)
total exchange computation time: 2.6842961311 s
-154.2571240569
Anderson extrapolation: theta=1.3338332592 (1.3338332592)
-931.39103997
-118.278117 24.591894 97.246375
560.191934 1031.765484 -409.243533
441.913817 1056.357379 -311.997158
1186.811257
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1352298540
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4072666880 (a.u.)
total exchange computation time: 2.6871409416 s
679.58418917
-1084.92539763
89.66136108
-388.35520328
-174.94872271
78.91449649
551.60419304
0.00000000
-931.39104006
4.06597466 -31.45949668 -2.22095929
-0.00005868 -0.00041136 -0.00010775
0.00665047 -0.00406126 -0.00865810
-11.62165997 -1.44799354 -9.39708743
-0.00033788 0.00011227 -0.00017197
0.00947592 0.00394063 0.02340957
-37.53110896 2.43292385 0.22289250
-0.00000016 0.00015374 -0.00009293
-0.00139559 -0.02805294 0.03259211
-11.76457680 -4.20947155 4.06629945
-0.00001646 -0.00002263 0.00013872
-0.02583500 0.01264412 0.01426323
4.00197952 -4.10530856 8.75155763
-0.00024156 -0.00016708 -0.00043466
-0.00503376 -0.04178491 0.01344739
-32.80697988 -0.28028366 0.08319918
-0.00062564 0.00020853 0.00049092
-0.00475598 -0.01161515 -0.00327909
14.30178201 12.47955902 -13.52108013
-0.00012452 0.00008334 0.00014450
-0.07414507 0.02647037 -0.03335828
-7.74941495 6.08270490 2.70293990
0.00000018 0.00006071 0.00022925
-0.00816347 0.04638547 0.05253487
7.24897021 12.16098247 -6.18851462
-0.00008995 -0.00020266 -0.00040351
0.01288957 -0.00604625 0.01099391
8.83087628 9.89134490 -19.13248952
0.00012086 -0.00020015 -0.00017265
-0.01371587 -0.00842521 0.01090428
23.17977297 17.35280481 -2.41039322
-0.00000402 0.00007302 -0.00025888
0.00812690 -0.02305217 -0.00488246
2.07346246 16.87132771 -19.65666888
-0.00011825 0.00025918 0.00020333
-0.03403208 0.03449092 0.01004011
14.01830379 -0.90086208 -5.80095452
0.00008362 -0.00001149 0.00005240
-0.00312275 -0.03162547 -0.00685041
-16.11950332 -1.43084889 3.20871291
-0.00025968 -0.00018048 -0.00006794
0.03581367 0.00853603 0.00794056
-16.07202055 -2.31469047 18.76572621
0.00035709 -0.00022640 -0.00005453
-0.02265093 0.02715452 -0.00973780
0.44673005 2.14073299 -4.64998599
-0.00008052 -0.00000208 0.00021019
0.00480535 -0.01332254 -0.01092220
22.73854428 -7.10153186 -8.81105311
0.00000942 -0.00007729 -0.00002248
-0.00636123 0.00963120 0.00205280
-0.75521046 -6.38953361 7.30010361
-0.00009486 -0.00020709 0.00002852
-0.02094496 -0.00515037 -0.00225340
-1.79838047 -1.41609811 -19.35109338
-0.00010165 0.00002233 0.00007581
0.04109067 0.00269789 0.01905989
3.12303898 1.61513623 -9.23298523
-0.00012200 -0.00012000 0.00003840
-0.02711649 0.01854832 0.02063621
-3.58659011 17.73097996 12.34185046
0.00036466 -0.00004894 0.00006022
0.02679029 -0.02148566 0.00907728
-3.89395781 5.17559568 -11.26486256
-0.00007959 0.00017122 -0.00022502
-0.02095326 -0.00805996 -0.01129184
-7.89383734 2.71089606 -8.86726625
0.00001096 -0.00004421 0.00002525
0.04752065 0.03741189 -0.03670228
2.50785787 27.53561432 8.96297100
0.00011001 0.00008681 0.00045690
-0.01484724 0.00762487 0.03631315
9.40043335 -6.25622373 -1.73643663
-0.00029087 -0.00006347 0.00012516
0.01205075 -0.01695271 0.01898526
-8.66818535 0.71952797 6.20866425
-0.00005688 -0.00009662 0.00020241
0.03195808 0.00195870 -0.01753764
20.52639881 10.93625614 8.71019012
0.00012582 0.00014442 -0.00011070
-0.01299104 0.02556957 -0.02289820
-1.96549295 -2.21923188 -27.61424977
0.00017921 -0.00014344 -0.00006664
-0.00657012 0.01497952 -0.01203638
-14.15792308 6.16497849 8.07640591
0.00031634 -0.00003831 0.00026656
0.00857090 -0.01463495 -0.01318071
-9.70798524 7.22203410 -2.00704841
-0.00022499 0.00001110 0.00037323
0.01374952 0.00262902 -0.00816501
-1.76337659 -15.08488257 23.06941481
-0.00012844 0.00032447 -0.00049931
-0.05236105 -0.01428498 0.00878487
-2.77355691 6.27888253 -6.07258971
-0.00003801 -0.00016613 0.00012369
0.02370075 -0.01178759 -0.00520902
-20.41074350 30.12472672 4.20792656
-0.00046407 -0.00053869 0.00021173
-0.03905683 0.02181879 0.00887966
7.76450435 0.64202625 7.48385787
0.00018077 0.00048236 -0.00015759
0.00784379 -0.02224334 -0.00465398
5.79399968 11.17194501 -13.42390859
0.00004603 -0.00058521 -0.00009156
0.03553908 -0.00855720 0.04226704
15.62188525 2.82691295 -1.63513111
0.00009687 0.00023294 0.00029782
0.01146112 0.03862725 0.00148215
-4.45525108 13.02789939 -0.78208831
-0.00000095 -0.00039574 0.00010775
-0.00035498 0.00048508 -0.00230528
4.78923369 12.57462950 2.50282512
-0.00013788 0.00018314 -0.00035354
-0.01461595 -0.02537062 0.01642307
25.04364399 -11.45694374 -9.82396528
-0.00019124 0.00019376 0.00028264
0.01052718 -0.00448646 0.00060347
16.89846234 -3.45545034 -0.76886295
0.00030833 0.00029145 -0.00004638
0.00946787 0.02417439 -0.00220290
13.49851563 7.80724132 10.26978050
0.00035300 -0.00033234 0.00006665
-0.03428935 -0.00047883 0.01499769
1.77084620 -14.03352392 17.52101545
0.00027500 0.00017717 0.00001936
0.00611227 -0.00777683 -0.00758239
-3.66628848 -0.69001095 -14.15398054
0.00022754 -0.00005485 -0.00002495
0.00963195 -0.01467160 -0.02771741
14.97029322 -7.57272938 -8.83026977
0.00003367 -0.00025914 -0.00007290
0.04445155 0.01509480 -0.02097495
8.38358463 -6.93701551 8.97363286
0.00003024 0.00037023 0.00007144
-0.00840351 -0.01629205 0.02716136
-21.11172760 2.39322822 22.87332325
-0.00003121 0.00022071 0.00021681
0.01599550 0.01852378 -0.01265863
25.73425008 -3.08713997 -8.23738048
0.00009215 0.00010357 -0.00008101
0.00229343 0.00467290 -0.00112744
9.92977409 -13.93006017 -8.53115176
0.00007472 0.00004966 -0.00042386
-0.00130986 -0.00214051 -0.00169806
-6.68404146 -12.29646596 16.98003380
0.00010380 0.00031035 -0.00003702
-0.01573471 -0.01199917 -0.02551693
7.50494866 2.82409020 -29.32524869
-0.00045585 -0.00049863 -0.00003890
-0.01605989 0.01883764 -0.00177761
11.02988955 15.75215535 15.43451425
-0.00035222 0.00040272 0.00025026
-0.01068553 -0.01800250 -0.03965355
28.81821077 6.37528694 -3.47662186
0.00018336 0.00026066 0.00004116
-0.02076883 0.00645381 -0.00544487
5.27034395 -32.11969386 -3.48240298
-0.00023322 -0.00057186 -0.00053141
-0.00845864 0.00678441 0.00071654
4.86216989 -31.64271383 -0.53591831
-0.00002378 -0.00083526 0.00036055
-0.00830086 0.00246847 -0.00587440
-12.20021635 -3.14744645 -9.38397625
-0.00037397 0.00071937 -0.00087427
-0.00883883 -0.01572318 -0.00413604
-12.10784068 -0.59269038 -10.87784602
0.00051515 0.00039936 -0.00029943
-0.00929349 0.00414687 -0.02313502
-38.97077223 2.38375461 1.38641728
-0.00006545 0.00043527 0.00012879
0.01045981 -0.00379346 -0.01107062
-37.85688369 3.81027771 -0.81336547
0.00034279 -0.00001226 0.00005254
-0.00661483 0.04085804 -0.03364489
-10.81318263 -5.43910820 3.20181767
-0.00064050 0.00066067 0.00044682
0.01395840 -0.02777692 -0.01226156
-10.58017532 -2.87608796 4.26997674
0.00002065 -0.00043314 0.00089433
0.00806814 0.02020902 0.00433791
4.12608694 -2.38296508 8.42625623
-0.00042872 -0.00042925 0.00035238
0.00503642 0.03835727 -0.00907368
3.61362299 -4.19110614 10.55684887
0.00004395 -0.00041087 -0.00081981
0.00592215 0.00217342 -0.00134093
-34.47110820 -1.06702094 0.20087782
-0.00067194 0.00066644 0.00036974
0.01188913 0.00612434 0.00001496
-33.20823376 1.46624011 0.34051646
-0.00054599 -0.00065167 -0.00115179
-0.00667763 0.00565364 0.00225177
13.28577393 13.09814331 -15.08957035
-0.00113348 0.00070345 0.00020294
0.02734103 -0.01674210 0.03750246
15.92097144 12.49966346 -14.16568609
0.00058967 -0.00047602 -0.00082444
0.05181790 -0.00453119 -0.01510630
-8.08170539 7.63122065 1.79941143
0.00078538 0.00018772 -0.00053811
-0.00097557 -0.00332467 -0.00592056
-7.37255351 4.89543592 1.50094289
-0.00002700 -0.00045818 -0.00022136
0.01290435 -0.04387363 -0.04566142
6.27925045 12.39504428 -7.68783969
0.00022172 -0.00033978 -0.00008582
-0.01113412 -0.00068907 -0.00988562
8.65024787 13.37240149 -6.30659430
-0.00085041 -0.00015578 0.00057739
0.00601982 0.01008081 -0.00470572
8.87179132 8.34807448 -20.02376281
0.00051633 -0.00064491 0.00021002
-0.00895243 -0.02098354 -0.01062224
10.54510405 10.41582964 -19.19513445
-0.00005438 -0.00044272 0.00063805
0.02125539 0.02260979 0.00132078
24.23656852 15.81289258 -2.80319460
0.00054642 0.00000349 -0.00022941
-0.00848113 0.01682519 0.00338444
24.10513734 18.78637703 -3.03821210
0.00057739 -0.00016859 -0.00020721
0.01850335 -0.00237037 0.00555701
1.55185636 16.89528556 -21.41336595
-0.00031579 -0.00057831 -0.00115220
0.00334948 -0.00176508 -0.00787197
3.35140533 15.66872712 -19.44033508
-0.00022611 -0.00053970 -0.00008879
0.02704224 -0.02668874 0.00181222
13.05952421 -1.88436314 -7.06124006
0.00087988 -0.00041239 -0.00006195
0.01062692 0.00953153 -0.00082343
12.85451024 -1.07065772 -4.44443816
-0.00094023 -0.00016224 -0.00069430
-0.00435438 0.00630263 0.02165595
-17.83100426 -1.86356313 3.21206901
0.00055596 -0.00018337 0.00100914
-0.02825312 -0.02043436 -0.00435241
-15.05141479 -2.89942866 2.88733323
-0.00038479 -0.00027727 0.00084942
-0.00643532 0.00058734 0.00672257
-16.21373612 -0.59021731 19.43604220
0.00160835 -0.00047458 -0.00100796
0.00505493 -0.01057917 -0.00203707
-14.85751636 -3.14932781 19.77947440
0.00019160 0.00015373 -0.00046175
0.01452791 -0.01528252 0.00915586
-0.20092746 0.39370916 -5.05013453
0.00023980 0.00004652 -0.00016731
-0.00877844 0.02244257 0.00485136
-0.84506505 3.39404951 -5.10108240
0.00024608 0.00106552 -0.00027190
-0.00256990 -0.00651080 0.00290925
23.86353008 -8.46251344 -9.20619456
0.00036263 0.00045409 0.00013386
0.00146459 -0.03239493 -0.00576299
23.92290466 -5.86667019 -8.19822782
-0.00037254 0.00025401 0.00037571
-0.00145493 0.01896498 0.00319929
-0.51396111 -6.22269655 5.49435403
-0.00052041 0.00040144 -0.00027160
0.01245871 0.00305966 0.00340237
0.84014180 -6.21240303 8.15798144
0.00037175 0.00099713 -0.00060772
0.00565626 0.00689574 -0.00819547
-0.18444167 -2.37297774 -19.54319958
0.00027307 -0.00013092 -0.00007746
-0.02931094 0.00639343 0.00206536
-3.02541671 -2.14747492 -20.43007451
0.00025037 -0.00082860 -0.00065113
-0.00775892 -0.01417486 -0.02064666
2.88247980 3.14742083 -10.21791668
0.00002787 -0.00057666 0.00003382
-0.00088210 -0.00234446 -0.01625692
1.84977248 1.82782396 -7.81270115
-0.00047590 0.00077479 0.00067899
0.02189371 -0.00024966 -0.01078477
-2.03469524 16.52636536 12.40566482
-0.00042910 0.00038320 0.00020151
-0.02554856 0.01864190 -0.00591491
-3.29985901 18.56341910 13.96817044
0.00133878 0.00071773 0.00007648
-0.00031839 0.00825659 -0.00035881
-5.56013392 6.21264708 -11.19409235
-0.00059970 0.00058788 -0.00097655
0.03031385 -0.03194160 -0.01760246
-3.92751503 3.60854251 -12.40196176
0.00081959 0.00024635 0.00000054
-0.00771827 0.04384379 0.02450429
-7.85943716 1.28414650 -7.79756937
-0.00061129 -0.00051850 -0.00039439
-0.00527118 -0.01786125 0.02321546
-6.02138114 3.00748043 -9.23332589
0.00058370 -0.00045276 0.00066351
-0.04615476 -0.00127399 0.00695906
2.96646726 27.41479340 7.25210865
-0.00034738 -0.00087408 -0.00034523
0.00083043 0.00194036 -0.02674146
1.33809349 28.96004082 9.08744827
0.00046067 0.00013718 -0.00008825
0.00727915 -0.01183180 -0.00209469
10.56497749 -7.04339746 -0.45113117
-0.00025617 0.00083141 0.00042806
-0.02081842 0.00853381 -0.02135791
8.27155073 -7.59595976 -2.33864386
-0.00035605 -0.00023279 0.00067692
0.00988874 0.01098340 0.00788032
-7.13478160 -0.00634564 7.03135757
-0.00020157 -0.00055232 0.00103069
-0.01751468 0.00758261 -0.00052455
-10.17742072 0.59742469 7.14727750
0.00056728 0.00007098 -0.00015488
-0.01506361 -0.01554338 0.02002368
20.97354711 11.18450899 10.44518373
-0.00062001 0.00044212 0.00019883
0.00568631 -0.00217251 0.00776261
20.37396266 12.73477235 8.04256857
0.00028083 0.00023034 -0.00076347
0.01247588 -0.02662199 0.01189346
-0.94870450 -3.38259170 -26.67449422
-0.00067459 -0.00059934 -0.00156574
0.00539247 -0.02262182 0.00664716
-3.31809527 -1.87822864 -26.45843478
-0.00038478 0.00062246 0.00029091
-0.01449119 0.00269450 0.00494014
-13.46292170 6.85936268 9.59513247
-0.00001608 -0.00060592 0.00072919
-0.00597558 0.00807052 0.00766818
-15.23215027 7.43043436 7.32929683
0.00035246 0.00063731 0.00048571
0.00152726 0.00493232 0.00776840
-11.46780062 7.66219173 -1.94548297
-0.00069770 -0.00093784 0.00084384
-0.00406617 -0.00035451 -0.01147644
-8.87839269 8.08916332 -3.46866353
-0.00037229 -0.00032453 0.00070674
-0.01294015 -0.00111823 0.01301050
-0.94249730 -16.64941938 22.44667484
0.00084198 -0.00006262 -0.00074961
-0.01140523 0.00378625 0.00942880
-3.59763247 -15.51610862 23.68655587
0.00018680 0.00052401 0.00018118
0.06021220 0.00655197 -0.01939702
-2.89895602 6.14739057 -7.91068790
-0.00048332 -0.00082700 -0.00019472
-0.00639610 -0.00165188 0.00303746
-4.40793710 6.56847346 -5.37764433
-0.00054319 0.00016423 0.00134177
-0.01281558 0.00555046 -0.00186812
-21.88790864 29.79662786 2.97753505
0.00006209 -0.00016307 -0.00052653
0.02364008 0.00035867 0.01445728
-21.38599977 31.02286264 5.56777894
0.00055508 -0.00009105 -0.00054690
0.01816896 -0.01260371 -0.01760893
7.08694457 -0.23601533 5.87352238
0.00059697 -0.00020313 -0.00007711
0.00322570 0.03141790 0.02331723
7.16256378 2.29974328 7.98723679
-0.00048424 0.00044611 0.00024991
-0.00543205 -0.00421303 -0.01659895
6.90541429 12.62964369 -12.90028998
0.00017284 -0.00012847 0.00037265
0.00261696 -0.01141128 -0.00530741
5.12043473 11.88488341 -14.84289200
0.00093209 -0.00017951 0.00062746
-0.03128870 0.01795004 -0.05456464
14.22911560 3.95091175 -2.05852048
0.00026335 0.00004583 0.00070641
0.00288010 0.00277154 -0.00617580
14.80577860 1.30259271 -1.31450021
-0.00005930 0.00039483 0.00083548
-0.01377651 -0.03630901 0.00420522
-3.00264373 12.16271233 -0.14059903
-0.00009110 -0.00086071 -0.00029256
0.00887772 -0.00299097 -0.00216157
-5.65775446 12.90211993 0.61585224
-0.00057870 -0.00003801 -0.00092522
-0.00530569 0.00089679 -0.00349664
3.16536315 11.58964322 2.42964197
0.00081781 0.00052329 -0.00072545
0.03126836 0.00609841 0.00962483
6.18222943 11.38013654 3.06789364
0.00040958 -0.00008340 -0.00000865
-0.01632010 0.01512548 -0.01199087
25.21365429 -12.77410568 -8.50129219
0.00022424 -0.00061288 -0.00063446
0.00190568 0.01589025 -0.02088765
26.27703997 -11.44784917 -11.41528143
-0.00104559 -0.00037730 -0.00013561
-0.01894665 -0.01245482 0.03316975
15.82620538 -2.80927390 0.54189754
0.00101612 -0.00017028 -0.00028542
-0.01116191 -0.00616043 -0.00126539
16.89629300 -5.25328534 -0.74376594
-0.00031182 0.00103998 0.00004911
-0.00071178 -0.01904616 0.00392716
12.03426997 8.13474729 11.53193368
0.00052500 0.00018932 -0.00003846
0.03164417 -0.01323992 -0.01091065
13.52066861 9.47973178 9.52529856
0.00107802 -0.00047902 -0.00052405
0.01401348 0.00529858 -0.00613216
0.03172679 -14.64194177 17.33259271
-0.00008761 -0.00035825 -0.00062585
0.00137958 0.00448141 0.00003627
1.81973860 -12.74963854 18.78755353
0.00098601 -0.00057311 -0.00007880
-0.00376172 0.01082393 0.00505868
-3.76108775 -1.71296897 -12.67523913
0.00065322 0.00046445 0.00098305
-0.00211421 -0.01012914 0.02038412
-2.72716703 -1.86468022 -15.30591063
0.00037667 0.00035241 0.00148764
-0.01510867 0.02597414 0.01126336
14.75899810 -8.00940126 -10.62717203
-0.00028806 0.00041327 0.00051358
-0.00651233 -0.00445634 0.01149881
16.42771524 -6.16063926 -9.02845672
0.00015003 -0.00033046 -0.00038827
-0.02421174 -0.02503550 0.00353270
7.09742675 -5.73035191 8.58440428
0.00011722 0.00063992 0.00101365
-0.01421253 0.01623196 -0.00386275
9.78695933 -6.56886444 7.96781708
0.00078860 -0.00012388 0.00017938
0.02196127 0.00944179 -0.02085980
-21.09143578 2.12946715 21.02386898
0.00107663 0.00004030 -0.00054461
-0.00866085 -0.00325190 0.01312431
-22.34863516 1.36387890 23.72027513
0.00037307 -0.00041221 -0.00092920
-0.00965420 -0.01009822 -0.00526560
26.90955110 -2.85109768 -6.85272795
0.00059768 0.00036951 -0.00027138
0.00480194 -0.00178937 0.00202347
25.51852622 -1.37137204 -8.96359662
0.00060902 0.00050621 -0.00028206
0.00059431 -0.01047520 0.00462663
10.02164828 -15.61809916 -7.85507307
-0.00012018 -0.00054992 0.00063904
-0.00351504 -0.00151556 0.00470619
9.28903387 -12.79442804 -7.22463630
-0.00063060 0.00001043 -0.00072361
-0.00393746 -0.00213667 -0.00388425
-5.83134710 -11.34894694 18.20745155
0.00039619 0.00000080 0.00044694
0.01765942 0.01987488 0.02959752
-6.74566959 -11.14555078 15.54457207
0.00012836 0.00022736 -0.00001562
-0.00341795 -0.00324704 -0.00026189
8.75329104 1.54231866 -29.50415091
0.00120899 0.00042492 0.00009306
0.00515732 -0.01436766 -0.00546278
5.91124014 2.37469760 -30.23741038
-0.00037567 -0.00083106 -0.00039559
0.01831261 -0.00416211 0.00892287
12.69684025 15.09698896 14.64930231
0.00118734 0.00036992 -0.00008988
-0.01441824 0.01132805 -0.00090494
11.48005298 16.18527968 17.06715236
0.00040860 0.00017374 -0.00069697
0.00372590 0.01175168 0.04448125
29.05876414 5.21160718 -4.89756359
-0.00057179 0.00039267 -0.00062907
0.00813827 -0.00488689 0.00427346
27.07001816 6.98200769 -3.85123540
0.00029059 0.00020387 -0.00021466
0.01571014 -0.00450757 0.00762209
-9.95401760 5.04533813 6.45233073
0.00000785 0.00028601 -0.00019114
0.00315237 0.00334928 0.00495059
-8.85332177 13.37341619 2.60751626
-0.00013570 0.00002062 0.00003929
-0.00020837 -0.00365909 0.00505026
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09514944
0.29589062
394.25942036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4060143816 (a.u.)
total exchange computation time: 2.6543819904 s
-154.2185939029
-931.38959508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4051612259 (a.u.)
total exchange computation time: 2.6559128761 s
-154.2265056018
Anderson extrapolation: theta=1.3636079236 (1.3636079236)
-931.38982582
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4039223113 (a.u.)
total exchange computation time: 2.6594610214 s
-154.2379740102
Anderson extrapolation: theta=0.0569050346 (0.0569050346)
-931.38996595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4037967567 (a.u.)
total exchange computation time: 2.6574249268 s
-154.2391810537
Anderson extrapolation: theta=2.0255081497 (2.0000000000)
-931.38997174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4035412136 (a.u.)
total exchange computation time: 2.6550219059 s
-154.2416437609
Anderson extrapolation: theta=0.2434149370 (0.2434149370)
-931.38997800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4034891185 (a.u.)
total exchange computation time: 2.6559069157 s
-154.2421572674
Anderson extrapolation: theta=1.7279686314 (1.7279686314)
-931.38997919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4034275315 (a.u.)
total exchange computation time: 2.6575558186 s
-154.2427861013
Anderson extrapolation: theta=0.3027491803 (0.3027491803)
-931.38998037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4034354060 (a.u.)
total exchange computation time: 2.6575939655 s
-154.2427370290
Anderson extrapolation: theta=1.2606898880 (1.2606898880)
-931.38998062
-118.300460 24.628609 97.213757
560.251286 1031.758092 -409.244858
441.950826 1056.386701 -312.031100
1186.860060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1342347215
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4034632173 (a.u.)
total exchange computation time: 2.6572937965 s
679.53509626
-1084.81682515
89.66273901
-388.42740708
-174.94012055
78.85393711
551.60419304
0.00000000
-931.38998072
4.06512015 -31.46568274 -2.22260895
-0.00005484 -0.00041361 -0.00011190
0.00827224 -0.00468415 -0.00747781
-11.62669155 -1.44629431 -9.39957672
-0.00033268 0.00011545 -0.00016010
0.01073849 0.00841725 0.02277396
-37.53111678 2.43512177 0.22162432
-0.00000099 0.00013899 -0.00007573
-0.00183562 -0.02932010 0.03427684
-11.76492333 -4.20976228 4.06843520
-0.00003098 -0.00001495 0.00014703
-0.03062854 0.01721742 0.01805214
3.99833671 -4.10797596 8.74508959
-0.00024401 -0.00018922 -0.00042823
-0.00449892 -0.04430107 0.01154489
-32.81638278 -0.27720047 0.09055035
-0.00062742 0.00020061 0.00048887
-0.00217302 -0.01918808 -0.00471293
14.29962819 12.48091129 -13.51904134
-0.00016039 0.00009717 0.00012608
-0.06532246 0.02727749 -0.03827546
-7.74944379 6.08379454 2.70658132
-0.00000363 0.00008368 0.00025435
-0.00665771 0.04290895 0.04504673
7.24767066 12.15791929 -6.19452484
-0.00008361 -0.00020655 -0.00039701
0.01176732 -0.00910944 0.01427337
8.83263630 9.88831014 -19.13503713
0.00011328 -0.00020507 -0.00016733
-0.01578343 -0.01070282 0.00975932
23.17974405 17.35381120 -2.41429527
0.00000071 0.00006083 -0.00026157
0.01025658 -0.02434983 -0.00556610
2.07155743 16.87534849 -19.65358021
-0.00013549 0.00027601 0.00020625
-0.03301605 0.03092880 0.00133472
14.01954606 -0.90115640 -5.80019492
0.00008189 -0.00002772 0.00004927
-0.00360444 -0.03149265 -0.00531375
-16.12326035 -1.43352309 3.20772437
-0.00023965 -0.00017546 -0.00006387
0.04205554 0.01096872 0.00792175
-16.06675152 -2.31798171 18.76487063
0.00034492 -0.00021298 -0.00006049
-0.02467840 0.02502726 -0.01343724
0.44554085 2.14065047 -4.64687524
-0.00007845 -0.00000805 0.00020428
0.00322794 -0.00992343 -0.01206178
22.73866111 -7.10265407 -8.81138239
0.00000619 -0.00007189 -0.00002122
-0.00622774 0.01135717 0.00283122
-0.75671418 -6.39265984 7.30052271
-0.00010507 -0.00020958 0.00002697
-0.01875192 -0.00452794 -0.00375629
-1.79974676 -1.41575279 -19.34988266
-0.00008097 0.00002281 0.00008463
0.03932585 -0.00080396 0.01520668
3.12110438 1.61340780 -9.23232968
-0.00013651 -0.00011081 0.00005011
-0.02929119 0.01717080 0.02493033
-3.58101685 17.73016297 12.34278884
0.00037776 -0.00005894 0.00006566
0.02413187 -0.01740035 0.01206585
-3.89523249 5.17813292 -11.26828144
-0.00009068 0.00016771 -0.00023053
-0.02217269 -0.00560962 -0.01012185
-7.89348970 2.71037726 -8.86702905
0.00003578 -0.00002531 0.00000665
0.04900879 0.03606873 -0.03563843
2.50945069 27.53694589 8.96996459
0.00010321 0.00009027 0.00047375
-0.01159679 0.00582961 0.02918772
9.39611685 -6.25724123 -1.73448606
-0.00028480 -0.00007188 0.00013482
0.01154355 -0.01574854 0.01858454
-8.66891533 0.71808623 6.21163271
-0.00003861 -0.00009587 0.00019305
0.03909041 0.00094062 -0.01884636
20.52823595 10.93852101 8.70844130
0.00011917 0.00015776 -0.00012229
-0.01286556 0.02633175 -0.02217235
-1.96283019 -2.22132564 -27.61529586
0.00017350 -0.00013409 -0.00007296
-0.01562732 0.02135712 -0.01253447
-14.15314493 6.16434742 8.08035342
0.00032036 -0.00004527 0.00025959
0.00708127 -0.01243628 -0.01389656
-9.71130703 7.22221071 -2.00148140
-0.00021862 0.00001210 0.00036974
0.01101409 0.00127967 -0.00543081
-1.76550519 -15.08007065 23.06195907
-0.00015436 0.00031635 -0.00049523
-0.04841917 -0.01727489 0.00707869
-2.77403563 6.27634504 -6.07075444
-0.00002754 -0.00017198 0.00012130
0.01702015 -0.01095032 -0.00409879
-20.41785520 30.11673059 4.21113675
-0.00048319 -0.00052812 0.00021521
-0.03528434 0.01928003 0.00467739
7.76724622 0.64917589 7.48147607
0.00018473 0.00047127 -0.00015981
0.00753111 -0.02088284 -0.00396985
5.79482717 11.16313384 -13.42511902
0.00006541 -0.00058968 -0.00006821
0.03982838 -0.00880309 0.04856602
15.62338258 2.83055598 -1.63065812
0.00010304 0.00025211 0.00029876
0.01250005 0.03594620 0.00218239
-4.45526665 13.02196517 -0.78048097
-0.00000063 -0.00039540 0.00010576
0.00158227 0.00083185 -0.00542514
4.78710905 12.57727878 2.49758540
-0.00014342 0.00017031 -0.00034482
-0.00690363 -0.02454637 0.01748894
25.04081603 -11.45405470 -9.81972334
-0.00018574 0.00019133 0.00028276
0.01084762 -0.00493425 -0.00012547
16.90312378 -3.45098537 -0.76956715
0.00031402 0.00030468 -0.00004853
0.01266570 0.02729498 -0.00616890
13.50367840 7.80225444 10.27083810
0.00033571 -0.00033237 0.00007408
-0.03293992 0.00033817 0.01388616
1.77499471 -14.03089640 17.52127666
0.00027736 0.00017181 0.00001434
0.00308773 -0.01304776 -0.01193964
-3.66283817 -0.69089035 -14.15446170
0.00023159 -0.00006200 -0.00003691
0.00611351 -0.01311650 -0.01880904
14.97096973 -7.57655827 -8.83144417
0.00005664 -0.00025093 -0.00008249
0.04487255 0.01684894 -0.01633602
8.38400578 -6.93152489 8.97480926
0.00002688 0.00036174 0.00008491
-0.00466964 -0.01671952 0.02520084
-21.11213401 2.39661029 22.87652659
-0.00002238 0.00023058 0.00020860
0.01832088 0.01986627 -0.01928726
25.73564120 -3.08556842 -8.23859997
0.00009363 0.00010656 -0.00008149
0.00344973 0.00694279 -0.00072852
9.93088989 -13.92932350 -8.53751615
0.00007408 0.00004679 -0.00042395
-0.00118884 -0.00904001 0.00134855
-6.68254522 -12.29185696 16.97938009
0.00009610 0.00030443 -0.00004933
-0.01417548 -0.01103387 -0.02234199
7.49804898 2.81668346 -29.32583903
-0.00046337 -0.00048969 -0.00003988
-0.01317363 0.01591408 -0.00203217
11.02456499 15.75812672 15.43811523
-0.00035666 0.00039262 0.00022777
-0.00655894 -0.02129353 -0.04781987
28.82088101 6.37922176 -3.47602554
0.00017284 0.00026346 0.00003767
-0.02014239 0.00442678 -0.00809095
5.26658643 -32.12806391 -3.49035216
-0.00026903 -0.00054308 -0.00052598
-0.00906921 0.00730287 0.00194252
4.86155883 -31.65516714 -0.53069009
-0.00005925 -0.00082420 0.00033115
-0.00906225 0.00294662 -0.00851467
-12.20609670 -3.13713764 -9.39721709
-0.00041309 0.00064647 -0.00089061
-0.01031436 -0.01996594 -0.00386218
-12.10039821 -0.58657286 -10.88304647
0.00047782 0.00041608 -0.00039275
-0.00898071 0.00403419 -0.02254097
-38.97143351 2.39016740 1.38800995
-0.00002119 0.00041962 0.00008209
0.01120666 -0.00386440 -0.01179233
-37.85194450 3.81134581 -0.81360830
0.00031518 0.00015665 -0.00008632
-0.00690318 0.04182647 -0.03433001
-10.82236244 -5.43004931 3.20814423
-0.00057511 0.00053591 0.00038859
0.01805273 -0.03329309 -0.01624125
-10.57961830 -2.88196574 4.28352458
0.00005517 -0.00034858 0.00091242
0.00882738 0.02118110 0.00452056
4.11981050 -2.38822840 8.43126386
-0.00040763 -0.00026588 0.00031337
0.00528862 0.04161282 -0.01002356
3.61446376 -4.19720258 10.54451068
0.00006639 -0.00040323 -0.00081872
0.00505905 0.00156378 0.00187070
-34.48082299 -1.05683661 0.20642433
-0.00062566 0.00068909 0.00037016
0.01076650 0.00496084 0.00019038
-33.21662828 1.45663836 0.32330858
-0.00057639 -0.00061048 -0.00114014
-0.00820304 0.01450554 0.00345187
13.26960960 13.10818210 -15.08537713
-0.00101701 0.00063272 0.00035900
0.02966772 -0.01788459 0.03889338
15.93140435 12.49238426 -14.17851564
0.00077888 -0.00049441 -0.00087893
0.04080095 -0.00446843 -0.01156387
-8.06995465 7.63393462 1.79115838
0.00078180 0.00017012 -0.00055912
-0.00077342 -0.00528987 -0.00436489
-7.37256309 4.88721880 1.49622333
0.00002237 -0.00062619 -0.00039556
0.01126222 -0.03836615 -0.03961247
6.28223506 12.38992642 -7.68942992
0.00017257 -0.00034128 -0.00013220
-0.01292411 -0.00004154 -0.01281613
8.63767626 13.37037370 -6.29807767
-0.00082009 -0.00010984 0.00055726
0.00881912 0.01240594 -0.00514850
8.87926187 8.33775781 -20.02093800
0.00047970 -0.00072657 0.00016911
-0.00897669 -0.01899077 -0.00940254
10.54493966 10.40988169 -19.18552328
0.00003595 -0.00034919 0.00064336
0.02296119 0.02317456 0.00128086
24.24450494 15.81346050 -2.80653208
0.00050918 0.00007390 -0.00021454
-0.00974809 0.01764200 0.00389803
24.11436517 18.78377558 -3.04114997
0.00065093 -0.00017848 -0.00018386
0.01749735 -0.00247341 0.00587212
1.54722209 16.88655676 -21.43089017
-0.00029761 -0.00058408 -0.00116632
0.00555104 -0.00105867 0.00096088
3.34884231 15.65981372 -19.44161136
-0.00012242 -0.00064231 -0.00008172
0.02371637 -0.02353636 0.00164854
13.07304810 -1.89025695 -7.06219447
0.00092229 -0.00037502 -0.00006687
0.01013303 0.00876154 -0.00158917
12.84027331 -1.07289817 -4.45418904
-0.00095648 -0.00013593 -0.00060744
-0.00359729 0.00657680 0.02086276
-17.82353056 -1.86693987 3.22707274
0.00042659 -0.00027020 0.00099194
-0.03507526 -0.02207051 -0.00406614
-15.05738383 -2.90356971 2.90028046
-0.00040958 -0.00027641 0.00087601
-0.00569891 -0.00016451 0.00629339
-16.18945597 -0.59766013 19.42086038
0.00162687 -0.00050853 -0.00101326
0.00401092 -0.00604319 -0.00055857
-14.85419712 -3.14749009 19.77282874
0.00025680 0.00008630 -0.00041996
0.01738552 -0.01772872 0.01130061
-0.19759953 0.39509460 -5.05249555
0.00020282 0.00013746 -0.00014752
-0.00932199 0.02207517 0.00483698
-0.84145263 3.40983287 -5.10507181
0.00023980 0.00103279 -0.00025801
-0.00050514 -0.00951446 0.00389395
23.86901441 -8.45669481 -9.20436319
0.00036993 0.00032039 0.00011008
0.00210923 -0.03305223 -0.00587877
23.91727196 -5.86227896 -8.19249418
-0.00037962 0.00032968 0.00038785
-0.00200978 0.01807586 0.00274517
-0.52138546 -6.21658120 5.49038435
-0.00047053 0.00041356 -0.00025379
0.01195829 0.00287319 0.00531464
0.84589140 -6.19723482 8.14861446
0.00039136 0.00102454 -0.00064241
0.00394362 0.00652220 -0.00878213
-0.18124373 -2.37474558 -19.54429813
0.00015069 -0.00010248 -0.00006786
-0.03059874 0.00752730 0.00263070
-3.02189896 -2.16033825 -20.44047413
0.00022535 -0.00088160 -0.00072889
-0.00448624 -0.01177146 -0.01742009
2.88287078 3.13869904 -10.21790760
0.00002367 -0.00058118 -0.00003614
-0.00117279 0.00013477 -0.01798950
1.84330487 1.83943812 -7.80284681
-0.00038136 0.00077164 0.00062991
0.02438627 -0.00129062 -0.01323755
-2.04191461 16.53268458 12.40850616
-0.00052706 0.00045367 0.00017618
-0.02240310 0.01585492 -0.00648119
-3.27978714 18.57443810 13.96930661
0.00133504 0.00074836 0.00006972
-0.00150970 0.00673539 -0.00295037
-5.56820053 6.22048649 -11.20928003
-0.00047243 0.00045464 -0.00104764
0.03198865 -0.03327778 -0.01719362
-3.91545763 3.61358126 -12.40120274
0.00078687 0.00042306 0.00009838
-0.00829925 0.04265616 0.02338666
-7.86876802 1.27582167 -7.80277385
-0.00063295 -0.00058850 -0.00030168
-0.00533327 -0.01640624 0.02216555
-6.01403995 3.00064998 -9.22315995
0.00039218 -0.00045762 0.00069156
-0.04759523 -0.00110265 0.00676938
2.96128198 27.40174168 7.24611078
-0.00034793 -0.00086526 -0.00044059
-0.00110091 0.00237879 -0.01993697
1.34522658 28.96173595 9.08606026
0.00048768 0.00009175 -0.00009641
0.00594172 -0.01040619 -0.00189941
10.56049703 -7.03066480 -0.44536472
-0.00034017 0.00086427 0.00034187
-0.02030171 0.00754930 -0.02083298
8.26651295 -7.59911505 -2.32824854
-0.00031572 -0.00018842 0.00070920
0.00985700 0.01073628 0.00791953
-7.13834192 -0.01439812 7.04680188
-0.00027613 -0.00051879 0.00102485
-0.01898097 0.00882998 -0.00233763
-10.16937314 0.59801304 7.14556782
0.00049443 0.00000732 -0.00006693
-0.02059575 -0.01561657 0.02303163
20.96442122 11.19107421 10.44840399
-0.00059769 0.00043339 0.00022742
0.00523779 -0.00210200 0.00623596
20.37855739 12.73741168 8.03148093
0.00033230 0.00011992 -0.00071297
0.01272197 -0.02742947 0.01282794
-0.95865806 -3.39227494 -26.69777658
-0.00064458 -0.00070045 -0.00152975
0.00929795 -0.02687215 0.01096988
-3.32431101 -1.86880920 -26.45391969
-0.00043295 0.00062971 0.00030325
-0.00908779 0.00085626 0.00109878
-13.46334604 6.85052120 9.60630527
-0.00004073 -0.00057339 0.00075987
-0.00608893 0.00785166 0.00735289
-15.22681651 7.44014520 7.33682051
0.00036177 0.00065345 0.00051981
0.00302615 0.00296661 0.00892385
-11.47839076 7.64811322 -1.93317711
-0.00070972 -0.00093944 0.00079556
-0.00181624 -0.00042845 -0.01215364
-8.88437357 8.08426103 -3.45766375
-0.00042411 -0.00032593 0.00075510
-0.01242792 0.00043340 0.01066140
-0.93021715 -16.65024259 22.43571955
0.00078953 -0.00003968 -0.00070700
-0.01426765 0.00744133 0.01143074
-3.59298534 -15.50804764 23.68867923
0.00043087 0.00054887 0.00010166
0.05926112 0.00561607 -0.01953127
-2.90640175 6.13493492 -7.91351562
-0.00051028 -0.00083283 -0.00017750
-0.00680259 -0.00119905 0.00538931
-4.41647764 6.57110697 -5.35757509
-0.00058033 0.00018426 0.00132639
-0.00536569 0.00425643 -0.00565982
-21.88625285 29.79419287 2.97008014
0.00015748 -0.00016127 -0.00046616
0.02305212 0.00051815 0.01509251
-21.37711684 31.02111062 5.55903588
0.00062274 -0.00013814 -0.00061152
0.01495320 -0.01044374 -0.01402536
7.09599790 -0.23809961 5.87308018
0.00060902 -0.00007350 0.00001839
0.00267361 0.03203805 0.02343277
7.15513365 2.30630578 7.99047681
-0.00050490 0.00042495 0.00018030
-0.00467941 -0.00614337 -0.01747463
6.90808705 12.62736703 -12.89486291
0.00018054 -0.00017959 0.00035015
0.00115443 -0.01361525 -0.00570708
5.13345734 11.88274074 -14.83515210
0.00079865 -0.00010016 0.00039227
-0.03403049 0.02089190 -0.06056387
14.23315408 3.95168421 -2.04811356
0.00027136 0.00006057 0.00067959
0.00104157 0.00444215 -0.00695327
14.80446696 1.30740254 -1.30183908
-0.00011430 0.00024819 0.00085258
-0.01314511 -0.03547454 0.00416480
-3.00373819 12.14971000 -0.14505363
-0.00005658 -0.00087281 -0.00030025
0.00802146 -0.00293303 -0.00160318
-5.66659750 12.90157727 0.60186676
-0.00060249 -0.00003557 -0.00093418
-0.00634231 0.00029594 -0.00089043
3.17858851 11.59767946 2.41905512
0.00093425 0.00054205 -0.00068618
0.02572909 0.00308357 0.00959915
6.18787310 11.37934908 3.06739640
0.00033894 -0.00001798 -0.00005957
-0.01826103 0.01689417 -0.01293388
25.21707632 -12.78281195 -8.51144911
0.00023133 -0.00054804 -0.00071844
0.00156585 0.01584786 -0.02022081
26.26077552 -11.45389035 -11.41629918
-0.00112215 -0.00042738 -0.00000003
-0.01853165 -0.01205868 0.03319967
15.84110516 -2.81201681 0.53757751
0.00096310 -0.00018958 -0.00028158
-0.01479338 -0.00328909 0.00314098
16.89159382 -5.23826930 -0.74290894
-0.00031412 0.00094989 0.00006422
-0.00041328 -0.02505514 0.00347124
12.04311472 8.13718140 11.53102251
0.00065290 0.00013540 -0.00008225
0.03096208 -0.01315604 -0.01052827
13.53726838 9.47270879 9.51724987
0.00113432 -0.00045875 -0.00054773
0.01354167 0.00462626 -0.00546008
0.03045489 -14.64717819 17.32320608
-0.00007510 -0.00033588 -0.00062364
0.00474609 0.00646619 0.00104754
1.83441342 -12.75790355 18.78652661
0.00096917 -0.00052226 -0.00005136
-0.00447767 0.01407088 0.00837016
-3.75135421 -1.70631265 -12.65986878
0.00064482 0.00042865 0.00105835
-0.00199886 -0.00739251 0.01647554
-2.72197996 -1.85859807 -15.28325083
0.00032172 0.00044940 0.00152352
-0.01179031 0.02150204 0.00629864
14.75447759 -8.00333882 -10.61911602
-0.00031636 0.00039174 0.00055067
-0.00734149 -0.00607976 0.00666095
16.42922374 -6.16636336 -9.03417249
0.00005166 -0.00043170 -0.00037223
-0.02393999 -0.02451983 0.00431908
7.09874952 -5.72025571 8.59949062
0.00006012 0.00070685 0.00099623
-0.01373595 0.01653170 -0.00466108
9.79946122 -6.57043330 7.96986858
0.00086896 -0.00008618 0.00009955
0.01737703 0.00901304 -0.01821707
-21.07555168 2.12997196 21.01610196
0.00104085 0.00002862 -0.00048137
-0.00885621 -0.00246318 0.01783512
-22.34333498 1.35738628 23.70617576
0.00032898 -0.00045718 -0.00094699
-0.01192714 -0.01191227 -0.00344229
26.91866345 -2.84560989 -6.85673664
0.00061506 0.00036099 -0.00026531
0.00370449 -0.00237860 0.00094902
25.52767975 -1.36409986 -8.96768579
0.00061095 0.00045948 -0.00026175
0.00034810 -0.01240202 0.00531639
10.01973785 -15.62639442 -7.84534326
-0.00013489 -0.00054246 0.00065182
-0.00368582 0.00516780 0.00155210
9.27945414 -12.79433704 -7.23560944
-0.00064638 0.00000247 -0.00073928
-0.00378588 -0.00176020 -0.00378667
-5.82486310 -11.34832585 18.21506256
0.00046467 0.00007861 0.00056192
0.01586134 0.01821008 0.02668741
-6.74384898 -11.14223983 15.54432981
0.00011489 0.00021498 -0.00001666
-0.00317277 -0.00281503 -0.00024946
8.77158401 1.54825223 -29.50292244
0.00122227 0.00037263 0.00007073
0.00133865 -0.01122848 -0.00546732
5.90616625 2.36210413 -30.24307082
-0.00029888 -0.00084854 -0.00035870
0.01927868 -0.00439567 0.00913730
12.71420856 15.10288488 14.64792637
0.00111851 0.00041882 -0.00009106
-0.01927542 0.01260911 0.00032728
11.48629610 16.18824584 17.05806080
0.00042665 0.00022536 -0.00050235
0.00511129 0.01351666 0.05078906
29.05043670 5.21734749 -4.90686875
-0.00053766 0.00037506 -0.00060746
0.00856757 -0.00373159 0.00630470
27.07485842 6.98492755 -3.85422179
0.00035293 0.00018692 -0.00018261
0.01480604 -0.00378494 0.00806695
-9.95389142 5.04963727 6.44947691
0.00000897 0.00028716 -0.00018935
0.00309205 0.00310113 0.00503309
-8.85535765 13.37371906 2.60811433
-0.00013575 0.00001978 0.00004046
-0.00023184 -0.00355516 0.00509763
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09460883
0.29537189
393.56823476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4012293025 (a.u.)
total exchange computation time: 2.6637649536 s
-154.1976347882
-931.38997611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4003549313 (a.u.)
total exchange computation time: 2.6640949249 s
-154.2056619264
Anderson extrapolation: theta=1.3893455065 (1.3893455065)
-931.39021564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3990522714 (a.u.)
total exchange computation time: 2.6644680500 s
-154.2175435871
Anderson extrapolation: theta=0.0677604109 (0.0677604109)
-931.39036827
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3989027917 (a.u.)
total exchange computation time: 2.6638050079 s
-154.2189135973
Anderson extrapolation: theta=2.3053119947 (2.0000000000)
-931.39037715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3986009530 (a.u.)
total exchange computation time: 2.6643269062 s
-154.2216661658
Anderson extrapolation: theta=0.4109063260 (0.4109063260)
-931.39038911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3984984167 (a.u.)
total exchange computation time: 2.6628770828 s
-154.2225944663
Anderson extrapolation: theta=1.0708589331 (1.0708589331)
-931.39039266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3984280723 (a.u.)
total exchange computation time: 2.6645619869 s
-154.2232306713
Anderson extrapolation: theta=0.5329529658 (0.5329529658)
-931.39039543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3984290441 (a.u.)
total exchange computation time: 2.6684610844 s
-154.2232279039
Anderson extrapolation: theta=0.7964579928 (0.7964579928)
-931.39039653
-118.327634 69.033928 97.187212
560.311276 1031.750583 -409.246431
441.983642 1100.784510 -312.059219
1226.563098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3984581633 (a.u.)
total exchange computation time: 2.6635470390 s
679.46311711
-1084.66109597
89.66589031
-388.53188625
-174.92796415
78.76768731
551.60419304
0.00000000
-931.39039712
4.06432946 -31.47190494 -2.22431629
-0.00005026 -0.00041615 -0.00011546
0.00955769 -0.00519935 -0.00635627
-11.63164029 -1.44453015 -9.40189032
-0.00032693 0.00012092 -0.00014872
0.01161705 0.01286499 0.02146920
-37.53113877 2.43709350 0.22062057
-0.00000203 0.00012406 -0.00005813
-0.00220890 -0.02872318 0.03416738
-11.76550614 -4.20992018 4.07071022
-0.00004767 -0.00000500 0.00015716
-0.03428392 0.02148746 0.02133888
3.99465920 -4.11098513 8.73871061
-0.00024615 -0.00021217 -0.00042292
-0.00380501 -0.04493126 0.00910966
-32.82580245 -0.27426531 0.09786516
-0.00062780 0.00018892 0.00048613
0.00070974 -0.02627628 -0.00590856
14.29697043 12.48247400 -13.51729784
-0.00019132 0.00011130 0.00010518
-0.05496145 0.02767717 -0.04299492
-7.74952399 6.08521521 2.71057026
-0.00000656 0.00010445 0.00027524
-0.00470806 0.03788476 0.03621003
7.24646189 12.15478584 -6.20042495
-0.00007786 -0.00021196 -0.00038896
0.01057790 -0.01189376 0.01701869
8.83427457 9.88519281 -19.13750945
0.00010487 -0.00021123 -0.00016269
-0.01691861 -0.01324615 0.00828180
23.17979425 17.35462974 -2.41824026
0.00000651 0.00004812 -0.00026460
0.01229707 -0.02507897 -0.00623992
2.06939768 16.87960787 -19.65048124
-0.00015193 0.00029073 0.00020492
-0.03090253 0.02633939 -0.00651613
14.02076051 -0.90169367 -5.79947632
0.00007985 -0.00004386 0.00004711
-0.00434683 -0.03126707 -0.00311603
-16.12669293 -1.43611267 3.20679695
-0.00021687 -0.00016926 -0.00005983
0.04654813 0.01311895 0.00778721
-16.06167287 -2.32107987 18.76391139
0.00033187 -0.00020086 -0.00006823
-0.02608394 0.02208712 -0.01663637
0.44437654 2.14049139 -4.64385755
-0.00007713 -0.00001222 0.00019782
0.00189675 -0.00629508 -0.01306736
22.73872989 -7.10368867 -8.81168983
0.00000320 -0.00006573 -0.00001959
-0.00539490 0.01260369 0.00352689
-0.75836256 -6.39582100 7.30091284
-0.00011410 -0.00021173 0.00002468
-0.01634926 -0.00382076 -0.00514931
-1.80080966 -1.41541366 -19.34855463
-0.00006147 0.00002152 0.00009136
0.03651167 -0.00422539 0.01097419
3.11894381 1.61181184 -9.23148181
-0.00015202 -0.00010230 0.00006387
-0.03102371 0.01593224 0.02857702
-3.57525742 17.72921175 12.34382031
0.00038935 -0.00006669 0.00007260
0.02094535 -0.01273744 0.01490866
-3.89667824 5.18062688 -11.27177841
-0.00010226 0.00016556 -0.00023532
-0.02284029 -0.00275576 -0.00851782
-7.89276397 2.71013672 -8.86706678
0.00006111 -0.00000737 -0.00001120
0.04948077 0.03370915 -0.03376397
2.51095404 27.53832242 8.97718335
0.00009815 0.00009268 0.00048678
-0.00805835 0.00356152 0.02148932
9.39188941 -6.25838022 -1.73239211
-0.00027904 -0.00007954 0.00014418
0.01085574 -0.01401306 0.01782417
-8.66934373 0.71665175 6.21445577
-0.00001705 -0.00009563 0.00018313
0.04477811 0.00001929 -0.01973290
20.52997383 10.94098901 8.70652142
0.00011261 0.00017136 -0.00013336
-0.01262099 0.02653956 -0.02087396
-1.96028800 -2.22325463 -27.61643864
0.00016328 -0.00012156 -0.00007942
-0.02411724 0.02736885 -0.01258024
-14.14831216 6.16362040 8.08419372
0.00032371 -0.00005106 0.00025239
0.00591746 -0.01007598 -0.01413146
-9.71454384 7.22239719 -1.99595629
-0.00021375 0.00001237 0.00036773
0.00791157 -0.00023780 -0.00238706
-1.76800732 -15.07539201 23.05455794
-0.00017805 0.00030685 -0.00049208
-0.04369335 -0.01968250 0.00516043
-2.77438304 6.27372307 -6.06895080
-0.00002045 -0.00017741 0.00011951
0.01054453 -0.01014193 -0.00285968
-20.42523911 30.10888319 4.21438301
-0.00050019 -0.00051897 0.00021646
-0.03083689 0.01628223 0.00014718
7.77004619 0.65616443 7.47906364
0.00018856 0.00046093 -0.00016157
0.00737126 -0.01935191 -0.00287320
5.79596191 11.15425476 -13.42595478
0.00008658 -0.00059400 -0.00004237
0.04251477 -0.00803031 0.05188712
15.62497635 2.83447632 -1.62616830
0.00010955 0.00026957 0.00030016
0.01284329 0.03193283 0.00325775
-4.45527000 13.01603736 -0.77891549
0.00000073 -0.00039491 0.00010220
0.00369712 0.00106209 -0.00840865
4.78493114 12.57973869 2.49248060
-0.00014489 0.00015813 -0.00033556
0.00116911 -0.02282114 0.01852688
25.03807176 -11.45120372 -9.81548237
-0.00018016 0.00018877 0.00028250
0.01086678 -0.00502239 -0.00088983
16.90788292 -3.44630982 -0.77031895
0.00032135 0.00031934 -0.00005271
0.01584823 0.02968133 -0.01005656
13.50858705 7.79727017 10.27200282
0.00031935 -0.00033189 0.00008085
-0.03069053 0.00152193 0.01245213
1.77916705 -14.02836955 17.52144577
0.00027823 0.00016387 0.00000717
0.00029740 -0.01782670 -0.01594299
-3.65934070 -0.69187094 -14.15508797
0.00023367 -0.00006822 -0.00004403
0.00197844 -0.01105432 -0.00884328
14.97199242 -7.58025718 -8.83274459
0.00007978 -0.00024186 -0.00008963
0.04512510 0.01838902 -0.01140947
8.38439090 -6.92616326 8.97618007
0.00002550 0.00035321 0.00009720
-0.00067598 -0.01645994 0.02259994
-21.11239907 2.40014563 22.87958114
-0.00001246 0.00024108 0.00019720
0.02025988 0.02095376 -0.02504219
25.73705894 -3.08394331 -8.23982507
0.00009574 0.00011063 -0.00008171
0.00476391 0.00891210 -0.00014509
9.93199652 -13.92865657 -8.54387014
0.00007349 0.00004047 -0.00042252
-0.00109953 -0.01552863 0.00417721
-6.68115834 -12.28733310 16.97855402
0.00008938 0.00029915 -0.00005974
-0.01198137 -0.00948255 -0.01815576
7.49104767 2.80939950 -29.32644504
-0.00046925 -0.00048220 -0.00004089
-0.00969056 0.01319645 -0.00188577
11.01918983 15.76393382 15.44134729
-0.00035901 0.00038104 0.00020171
-0.00260880 -0.02371233 -0.05350849
28.82339586 6.38319073 -3.47549163
0.00016275 0.00026526 0.00003295
-0.01908410 0.00257063 -0.01028403
5.26227309 -32.13598639 -3.49818229
-0.00030690 -0.00051243 -0.00051590
-0.00946706 0.00770378 0.00298917
4.86039238 -31.66743987 -0.52598370
-0.00009750 -0.00081124 0.00029141
-0.00965966 0.00339706 -0.01094049
-12.21260919 -3.12805246 -9.41069462
-0.00045756 0.00055752 -0.00090606
-0.01145266 -0.02357512 -0.00370098
-12.09350614 -0.58020811 -10.88962838
0.00044229 0.00043147 -0.00048207
-0.00840834 0.00349916 -0.02118267
-38.97140798 2.39634336 1.38887991
0.00002520 0.00040374 0.00003311
0.01150410 -0.00391288 -0.01218142
-37.84742838 3.81497730 -0.81595507
0.00028714 0.00032611 -0.00022550
-0.00681953 0.04112512 -0.03379753
-10.83043586 -5.42303083 3.21347542
-0.00049435 0.00039066 0.00031550
0.02147827 -0.03780797 -0.01953708
-10.57852028 -2.88654541 4.29734947
0.00009176 -0.00026147 0.00093099
0.00908504 0.02146257 0.00456551
4.11385817 -2.39094142 8.43565719
-0.00038581 -0.00009321 0.00027131
0.00538809 0.04290794 -0.01056106
3.61561458 -4.20320318 10.53228714
0.00008524 -0.00039812 -0.00080429
0.00416835 0.00094047 0.00519577
-34.48987794 -1.04634826 0.21198250
-0.00058475 0.00070657 0.00037140
0.00925641 0.00359560 0.00041653
-33.22552553 1.44792560 0.30631226
-0.00061287 -0.00053375 -0.00112413
-0.00965275 0.02305453 0.00438547
13.25526350 13.11712480 -15.07880028
-0.00089226 0.00055800 0.00051908
0.03139913 -0.01868749 0.03946564
15.94433780 12.48483120 -14.19205389
0.00092095 -0.00051233 -0.00091770
0.02874501 -0.00430214 -0.00741779
-8.05825131 7.63632439 1.78263783
0.00077896 0.00014469 -0.00057384
-0.00061796 -0.00716003 -0.00284018
-7.37188245 4.87665036 1.48907607
0.00006421 -0.00076862 -0.00054202
0.00921866 -0.03135808 -0.03208023
6.28442761 12.38480602 -7.69180561
0.00011686 -0.00034024 -0.00018946
-0.01434603 0.00054860 -0.01521243
8.62564513 13.36910623 -6.28987658
-0.00077892 -0.00005481 0.00053541
0.01133625 0.01453018 -0.00554786
8.88618228 8.32627726 -20.01868943
0.00044315 -0.00079871 0.00013388
-0.00891640 -0.01632082 -0.00784351
10.54618248 10.40535403 -19.17583361
0.00013111 -0.00025422 0.00064847
0.02362342 0.02331111 0.00122071
24.25184394 15.81510963 -2.80963067
0.00046726 0.00014673 -0.00019783
-0.01077459 0.01800549 0.00428126
24.12466534 18.78102254 -3.04372795
0.00072009 -0.00018906 -0.00015906
0.01635703 -0.00270281 0.00626753
1.54292803 16.87776309 -21.44835551
-0.00027094 -0.00058668 -0.00114577
0.00750500 -0.00021518 0.00909815
3.34773278 15.64945787 -19.44278662
-0.00003415 -0.00073012 -0.00007559
0.01949063 -0.01944828 0.00134973
13.08719301 -1.89561379 -7.06324627
0.00096233 -0.00034115 -0.00007512
0.00946607 0.00781743 -0.00244703
12.82581591 -1.07473556 -4.46266132
-0.00096876 -0.00010844 -0.00052499
-0.00241548 0.00687669 0.01949419
-17.81820648 -1.87166923 3.24182727
0.00027271 -0.00036287 0.00097609
-0.04025235 -0.02329292 -0.00369454
-15.06370214 -2.90772085 2.91361339
-0.00043109 -0.00027882 0.00090084
-0.00483283 -0.00101783 0.00586366
-16.16493000 -0.60547331 19.40564433
0.00164125 -0.00052323 -0.00101239
0.00302914 -0.00115082 0.00098710
-14.84981239 -3.14673890 19.76687566
0.00033219 0.00000987 -0.00037062
0.01951988 -0.01968084 0.01284929
-0.19484290 0.39783295 -5.05456014
0.00016354 0.00022603 -0.00012797
-0.00990400 0.02128199 0.00473471
-0.83787117 3.42503312 -5.10882258
0.00024160 0.00098817 -0.00024016
0.00138951 -0.01232708 0.00483992
23.87462801 -8.45290182 -9.20289210
0.00037883 0.00018574 0.00008639
0.00224461 -0.03285618 -0.00571812
23.91151609 -5.85677993 -8.18659229
-0.00038930 0.00040094 0.00039776
-0.00272702 0.01680757 0.00210536
-0.52807693 -6.21028977 5.48674038
-0.00042279 0.00042488 -0.00022844
0.01140862 0.00266659 0.00709295
0.85188269 -6.18166689 8.13870927
0.00040361 0.00105030 -0.00067944
0.00204932 0.00609082 -0.00934875
-0.17992108 -2.37605211 -19.54523545
0.00002463 -0.00007024 -0.00005608
-0.03110783 0.00825348 0.00313883
-3.01865617 -2.17392301 -20.45194135
0.00021438 -0.00092408 -0.00079260
-0.00088593 -0.00902083 -0.01376187
2.88318988 3.12998551 -10.21900102
0.00001830 -0.00057598 -0.00011282
-0.00145511 0.00240981 -0.01954438
1.83833180 1.85097318 -7.79380375
-0.00027771 0.00076439 0.00057182
0.02634773 -0.00225630 -0.01519820
-2.05050699 16.53997549 12.41095029
-0.00061087 0.00051174 0.00014863
-0.01862515 0.01256955 -0.00700399
-3.25980780 18.58586989 13.97026196
0.00132641 0.00077273 0.00005254
-0.00271578 0.00519282 -0.00545820
-5.57430668 6.22628643 -11.22552144
-0.00033976 0.00031708 -0.00111680
0.03295437 -0.03405935 -0.01666304
-3.90390885 3.62123424 -12.39901044
0.00075194 0.00059313 0.00019044
-0.00879859 0.04059708 0.02167994
-7.87842574 1.26649137 -7.80661988
-0.00065482 -0.00065066 -0.00021459
-0.00536889 -0.01401745 0.02046924
-6.00961569 2.99375194 -9.21257914
0.00019696 -0.00046151 0.00071844
-0.04796534 -0.00080390 0.00639083
2.95602922 27.38883574 7.23889104
-0.00035649 -0.00085434 -0.00050697
-0.00308853 0.00296247 -0.01255778
1.35272382 28.96279333 9.08455584
0.00050866 0.00005282 -0.00010371
0.00432890 -0.00865283 -0.00167369
10.55477236 -7.01746947 -0.44087503
-0.00042108 0.00089260 0.00025894
-0.01930277 0.00632182 -0.01976467
8.26207926 -7.60161235 -2.31736787
-0.00027611 -0.00014569 0.00074128
0.00953098 0.01017962 0.00778602
-7.14306550 -0.02190944 7.06210294
-0.00035565 -0.00048060 0.00101200
-0.01994570 0.00986558 -0.00395090
-10.16258779 0.59764431 7.14526967
0.00040101 -0.00005638 0.00003194
-0.02513253 -0.01556623 0.02536350
20.95561634 11.19751062 10.45200644
-0.00057737 0.00042481 0.00024909
0.00471009 -0.00209833 0.00436793
20.38393179 12.73836996 8.02117946
0.00038460 0.00000755 -0.00065920
0.01287547 -0.02757525 0.01349304
-0.96804179 -3.40360507 -26.72038664
-0.00059981 -0.00081792 -0.00147719
0.01261777 -0.03063303 0.01475538
-3.33108371 -1.85933729 -26.44933725
-0.00045909 0.00062927 0.00030001
-0.00370748 -0.00107222 -0.00268649
-13.46414355 6.84216092 9.61792869
-0.00006662 -0.00054230 0.00078846
-0.00658512 0.00736752 0.00663825
-15.22129729 7.45003785 7.34489110
0.00037697 0.00066164 0.00055841
0.00441761 0.00104123 0.00997401
-11.48909220 7.63400846 -1.92161609
-0.00071230 -0.00094139 0.00074460
0.00055105 -0.00052543 -0.01279271
-8.89111612 8.07938530 -3.44601057
-0.00047332 -0.00032063 0.00079311
-0.01165777 0.00216057 0.00794723
-0.91881140 -16.65060975 22.42546482
0.00072595 -0.00000269 -0.00065665
-0.01685577 0.01066316 0.01321441
-3.58470631 -15.49964247 23.68960559
0.00066868 0.00056951 0.00002243
0.05714710 0.00448486 -0.01925101
-2.91426438 6.12240578 -7.91601305
-0.00053876 -0.00083678 -0.00015105
-0.00714099 -0.00073721 0.00755921
-4.42534702 6.57400134 -5.33785272
-0.00058753 0.00019906 0.00129559
0.00184210 0.00298611 -0.00941640
-21.88318429 29.79178964 2.96355020
0.00024978 -0.00015896 -0.00040379
0.02213214 0.00061635 0.01543690
-21.36731749 31.01871855 5.54943327
0.00067639 -0.00017532 -0.00066018
0.01130595 -0.00775941 -0.00979373
7.10521509 -0.23822039 5.87407409
0.00061855 0.00005790 0.00011340
0.00199366 0.03228579 0.02307690
7.14741675 2.31249179 7.99264587
-0.00052247 0.00039627 0.00010733
-0.00392061 -0.00789603 -0.01824700
6.91083056 12.62425594 -12.88978561
0.00018257 -0.00023910 0.00032607
-0.00016153 -0.01551203 -0.00607718
5.14439434 11.88187846 -14.83112392
0.00065709 -0.00001162 0.00013874
-0.03526465 0.02245333 -0.06353949
14.23725638 3.95272890 -2.03813278
0.00027179 0.00008204 0.00064960
-0.00083287 0.00606745 -0.00772672
14.80234971 1.31003828 -1.28892271
-0.00016523 0.00010798 0.00086884
-0.01178777 -0.03315871 0.00379128
-3.00434104 12.13652791 -0.14960647
-0.00002603 -0.00088441 -0.00030579
0.00692979 -0.00274351 -0.00111118
-5.67582923 12.90105275 0.58782670
-0.00063044 -0.00003562 -0.00093268
-0.00733649 -0.00031762 0.00162891
3.19339070 11.60590468 2.40905657
0.00102614 0.00054739 -0.00064723
0.01925312 -0.00047014 0.00946491
6.19239761 11.37959700 3.06610648
0.00026148 0.00005378 -0.00011389
-0.01965712 0.01823708 -0.01365343
25.22059432 -12.79054697 -8.52284530
0.00023710 -0.00048428 -0.00079878
0.00125821 0.01536525 -0.01910690
26.24337534 -11.46067056 -11.41528226
-0.00119653 -0.00047570 0.00013488
-0.01787427 -0.01159478 0.03283929
15.85509831 -2.81496130 0.53344999
0.00089541 -0.00019720 -0.00025981
-0.01833985 -0.00044267 0.00751618
16.88686932 -5.22478879 -0.74183921
-0.00031525 0.00083690 0.00007741
-0.00013629 -0.03025301 0.00298282
12.05385701 8.13880924 11.52946609
0.00077814 0.00008208 -0.00012431
0.03034293 -0.01294360 -0.01006061
13.55469807 9.46596933 9.50886654
0.00118855 -0.00044195 -0.00056820
0.01300884 0.00359467 -0.00456044
0.02947387 -14.65201832 17.31388365
-0.00004940 -0.00030564 -0.00061731
0.00783259 0.00834011 0.00204876
1.84881382 -12.76530621 18.78601267
0.00094952 -0.00045898 -0.00001114
-0.00514135 0.01690539 0.01131726
-3.74174316 -1.70010938 -12.64348870
0.00063691 0.00040448 0.00111660
-0.00187264 -0.00444248 0.01203748
-2.71751549 -1.85119815 -15.26020501
0.00028165 0.00052657 0.00153798
-0.00782483 0.01627292 0.00077686
14.74950715 -7.99764898 -10.61065179
-0.00034814 0.00036355 0.00056738
-0.00821302 -0.00772154 0.00151749
16.42926505 -6.17359019 -9.03962357
-0.00004510 -0.00053037 -0.00035301
-0.02342464 -0.02378234 0.00508697
7.09923047 -5.70914635 8.61429130
0.00000610 0.00077387 0.00097592
-0.01271105 0.01627388 -0.00528395
9.81302808 -6.57144979 7.97080363
0.00092899 -0.00005049 0.00003154
0.01200660 0.00845808 -0.01507306
-21.06021034 2.13032581 21.00942798
0.00100427 0.00002011 -0.00040017
-0.00905119 -0.00170510 0.02191344
-22.33876577 1.35016361 23.69186542
0.00027649 -0.00050889 -0.00095786
-0.01376778 -0.01340426 -0.00187958
26.92800283 -2.84026788 -6.86068716
0.00062782 0.00035006 -0.00026371
0.00254212 -0.00297236 -0.00016578
25.53685461 -1.35758776 -8.97144914
0.00061172 0.00040555 -0.00023888
0.00003174 -0.01399616 0.00588027
10.01760153 -15.63437296 -7.83551834
-0.00015019 -0.00050862 0.00065197
-0.00380065 0.01139548 -0.00148026
9.26964239 -12.79435391 -7.24681465
-0.00066150 -0.00000395 -0.00075463
-0.00361222 -0.00138518 -0.00372568
-5.81740702 -11.34658874 18.22430914
0.00052443 0.00014825 0.00066298
0.01339061 0.01588016 0.02278288
-6.74222281 -11.13910141 15.54407227
0.00010248 0.00020449 -0.00001776
-0.00290191 -0.00231850 -0.00028886
8.78995901 1.55349765 -29.50202904
0.00121949 0.00033318 0.00004838
-0.00269523 -0.00808646 -0.00547386
5.90227387 2.34924127 -30.24817126
-0.00021914 -0.00086701 -0.00032138
0.01975242 -0.00464289 0.00912865
12.73039555 15.10955357 14.64657049
0.00103118 0.00047231 -0.00008767
-0.02347170 0.01357237 0.00133400
11.49285248 16.19204038 17.05208190
0.00044932 0.00028289 -0.00028662
0.00598443 0.01464864 0.05481374
29.04263433 5.22285910 -4.91578752
-0.00050175 0.00036166 -0.00057806
0.00900850 -0.00283140 0.00808971
27.08060610 6.98761544 -3.85671379
0.00041068 0.00017320 -0.00014901
0.01346304 -0.00293449 0.00838286
-9.95374864 5.05395306 6.44665011
0.00001007 0.00028823 -0.00018754
0.00306650 0.00285100 0.00509445
-8.85739433 13.37400956 2.60873015
-0.00013581 0.00001897 0.00004165
-0.00023637 -0.00344560 0.00509047
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09412270
0.29627443
394.77081852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3954964882 (a.u.)
total exchange computation time: 2.6641511917 s
-154.1748392853
-931.39232004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3946559476 (a.u.)
total exchange computation time: 2.6645269394 s
-154.1824175201
Anderson extrapolation: theta=1.3653954370 (1.3653954370)
-931.39255042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3933978555 (a.u.)
total exchange computation time: 2.6641259193 s
-154.1935651668
Anderson extrapolation: theta=0.0601287908 (0.0601287908)
-931.39269200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3932378474 (a.u.)
total exchange computation time: 2.6630551815 s
-154.1948828753
Anderson extrapolation: theta=2.2133255752 (2.0000000000)
-931.39269894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3928959119 (a.u.)
total exchange computation time: 2.6634509563 s
-154.1976121284
Anderson extrapolation: theta=0.3655456512 (0.3655456512)
-931.39270776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3927748237 (a.u.)
total exchange computation time: 2.6642608643 s
-154.1984960378
Anderson extrapolation: theta=1.2554450225 (1.2554450225)
-931.39271012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3926521328 (a.u.)
total exchange computation time: 2.6649918556 s
-154.1993003816
Anderson extrapolation: theta=0.4480047163 (0.4480047163)
-931.39271215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3926285525 (a.u.)
total exchange computation time: 2.6644470692 s
-154.1993602442
Anderson extrapolation: theta=0.8734930022 (0.8734930022)
-931.39271283
-118.350156 69.057459 97.168227
560.371330 1031.743175 -409.247831
442.021174 1100.800634 -312.079603
1226.596280
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1335857220
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3926326146 (a.u.)
total exchange computation time: 2.6646618843 s
679.36998012
-1084.46333290
89.67173712
-388.66610388
-174.91236107
78.65810754
551.60419304
0.00000000
-931.39271321
4.06361250 -31.47816725 -2.22607268
-0.00004511 -0.00041892 -0.00011845
0.01045132 -0.00558268 -0.00528521
-11.63649940 -1.44266674 -9.40403829
-0.00032085 0.00012852 -0.00013823
0.01201340 0.01669220 0.01929987
-37.53117779 2.43884363 0.21988042
-0.00000325 0.00010993 -0.00004104
-0.00251007 -0.02622152 0.03227470
-11.76635344 -4.20991232 4.07314985
-0.00006585 0.00000697 0.00016877
-0.03640875 0.02505031 0.02382407
3.99095233 -4.11434093 8.73240191
-0.00024789 -0.00023489 -0.00041899
-0.00296848 -0.04342361 0.00619684
-32.83521663 -0.27153286 0.10513439
-0.00062663 0.00017383 0.00048286
0.00381111 -0.03238757 -0.00681786
14.29388866 12.48425023 -13.51588602
-0.00021665 0.00012551 0.00008201
-0.04354325 0.02757298 -0.04709594
-7.74964051 6.08692814 2.71483854
-0.00000840 0.00012234 0.00029134
-0.00246892 0.03165347 0.02640507
7.24533472 12.15156062 -6.20619376
-0.00007275 -0.00021868 -0.00037969
0.00931996 -0.01427290 0.01905636
8.83578231 9.88197329 -19.13991789
0.00009615 -0.00021872 -0.00015888
-0.01698352 -0.01586982 0.00655093
23.17993933 17.35525481 -2.42223339
0.00001332 0.00003520 -0.00026797
0.01417415 -0.02515469 -0.00686735
2.06699953 16.88407046 -19.64743254
-0.00016702 0.00030286 0.00019979
-0.02777861 0.02083477 -0.01344965
14.02194144 -0.90247215 -5.79878175
0.00007736 -0.00005982 0.00004621
-0.00531989 -0.03081163 -0.00036364
-16.12976640 -1.43860104 3.20592959
-0.00019236 -0.00016208 -0.00005588
0.04876272 0.01482133 0.00757143
-16.05679545 -2.32400764 18.76282381
0.00031830 -0.00019048 -0.00007742
-0.02668181 0.01829845 -0.01910653
0.44322687 2.14028374 -4.64094067
-0.00007643 -0.00001448 0.00019089
0.00082787 -0.00246123 -0.01387606
22.73875706 -7.10462604 -8.81197006
0.00000081 -0.00005907 -0.00001763
-0.00387536 0.01329967 0.00410728
-0.76013708 -6.39901163 7.30126324
-0.00012183 -0.00021348 0.00002172
-0.01370754 -0.00301237 -0.00639296
-1.80159088 -1.41510714 -19.34714193
-0.00004368 0.00001851 0.00009584
0.03268833 -0.00747467 0.00647395
3.11654390 1.61033879 -9.23041347
-0.00016827 -0.00009438 0.00007930
-0.03216689 0.01485428 0.03142943
-3.56933640 17.72816226 12.34496679
0.00039912 -0.00007188 0.00008093
0.01706455 -0.00744763 0.01748616
-3.89830019 5.18309959 -11.27534109
-0.00011401 0.00016499 -0.00023915
-0.02287627 0.00053905 -0.00636946
-7.89165651 2.71015624 -8.86736500
0.00008635 0.00000909 -0.00002787
0.04868018 0.03027420 -0.03105899
2.51239523 27.53972643 8.98456790
0.00009497 0.00009383 0.00049577
-0.00432400 0.00088803 0.01348508
9.38774573 -6.25962732 -1.73016066
-0.00027369 -0.00008615 0.00015304
0.00993807 -0.01171168 0.01661116
-8.66942669 0.71521742 6.21712659
0.00000696 -0.00009583 0.00017292
0.04856248 -0.00080614 -0.01995641
20.53161434 10.94366177 8.70444050
0.00010623 0.00018489 -0.00014361
-0.01221121 0.02607928 -0.01898653
-1.95793187 -2.22497249 -27.61767848
0.00014896 -0.00010615 -0.00008576
-0.03155180 0.03254917 -0.01206074
-14.14343373 6.16281565 8.08792501
0.00032647 -0.00005564 0.00024513
0.00484581 -0.00775363 -0.01407274
-9.71771962 7.22258184 -1.99044959
-0.00021056 0.00001181 0.00036735
0.00451466 -0.00192507 0.00093609
-1.77084654 -15.07086520 23.04719661
-0.00019904 0.00029629 -0.00048998
-0.03794234 -0.02135642 0.00299743
-2.77464911 6.27102286 -6.06716922
-0.00001660 -0.00018242 0.00011837
0.00441015 -0.00933758 -0.00155590
-20.43286092 30.10116141 4.21763041
-0.00051469 -0.00051150 0.00021530
-0.02555297 0.01278477 -0.00465120
7.77290303 0.66300367 7.47662904
0.00019235 0.00045142 -0.00016266
0.00737797 -0.01760138 -0.00136998
5.79742465 11.14531372 -13.42639024
0.00010866 -0.00059762 -0.00001572
0.04334820 -0.00601663 0.05175421
15.62666920 2.83864301 -1.62165334
0.00011606 0.00028463 0.00030219
0.01246098 0.02665644 0.00464387
-4.45524484 13.01011774 -0.77741487
0.00000319 -0.00039434 0.00009718
0.00588631 0.00117630 -0.01114181
4.78276226 12.58202254 2.48751873
-0.00014213 0.00014708 -0.00032579
0.00956679 -0.02011312 0.01944428
25.03541132 -11.44839149 -9.81124826
-0.00017466 0.00018627 0.00028186
0.01052516 -0.00472707 -0.00162741
16.91276433 -3.44140529 -0.77114833
0.00033026 0.00033494 -0.00005880
0.01878656 0.03101073 -0.01364542
13.51325893 7.79229764 10.27326361
0.00030425 -0.00033086 0.00008671
-0.02802782 0.00248604 0.01032594
1.78334168 -14.02598022 17.52149188
0.00027775 0.00015367 -0.00000191
-0.00217816 -0.02186412 -0.01937011
-3.65582797 -0.69293682 -14.15578246
0.00023348 -0.00007321 -0.00004579
-0.00274857 -0.00835762 0.00196441
14.97336323 -7.58381422 -8.83413304
0.00010294 -0.00023210 -0.00009417
0.04493651 0.01960186 -0.00625953
8.38477081 -6.92092861 8.97772524
0.00002619 0.00034499 0.00010801
0.00334903 -0.01551807 0.01945551
-21.11250784 2.40384261 22.88244250
-0.00000170 0.00025202 0.00018312
0.02159372 0.02157973 -0.02970937
25.73851343 -3.08224944 -8.24105129
0.00009855 0.00011563 -0.00008160
0.00615201 0.01051555 0.00058476
9.93309467 -13.92810945 -8.55019190
0.00007290 0.00003099 -0.00041968
-0.00119029 -0.02133325 0.00690453
-6.67986389 -12.28288238 16.97758789
0.00008392 0.00029480 -0.00006777
-0.00924900 -0.00746138 -0.01308759
7.48397160 2.80221734 -29.32706560
-0.00047316 -0.00047611 -0.00004177
-0.00552718 0.01048872 -0.00153837
11.01379454 15.76955798 15.44416656
-0.00035933 0.00036849 0.00017348
0.00139084 -0.02509675 -0.05625859
28.82576348 6.38717954 -3.47503706
0.00015331 0.00026604 0.00002716
-0.01761683 0.00045689 -0.01223562
5.25737956 -32.14343674 -3.50582922
-0.00034591 -0.00048040 -0.00050197
-0.00963248 0.00797625 0.00383255
4.85863393 -31.67950440 -0.52194782
-0.00013781 -0.00079652 0.00024227
-0.01007384 0.00380932 -0.01311354
-12.21982356 -3.12041211 -9.42439898
-0.00050606 0.00045578 -0.00092088
-0.01228919 -0.02622820 -0.00355035
-12.08712938 -0.57362891 -10.89750849
0.00040953 0.00044375 -0.00056427
-0.00763249 0.00251502 -0.01905575
-38.97067740 2.40227950 1.38900332
0.00007192 0.00038764 -0.00001673
0.01136488 -0.00396486 -0.01221440
-37.84333020 3.82112918 -0.82037317
0.00026024 0.00048890 -0.00035957
-0.00634940 0.03856072 -0.03183339
-10.83719295 -5.41832946 3.21760927
-0.00040150 0.00022974 0.00023088
0.02397077 -0.04096262 -0.02188687
-10.57686547 -2.88980972 4.31145416
0.00012835 -0.00017464 0.00094940
0.00882412 0.02103764 0.00445032
4.10823605 -2.39102478 8.43940328
-0.00036391 0.00008049 0.00022790
0.00533580 0.04211902 -0.01068941
3.61702087 -4.20914615 10.52038203
0.00010045 -0.00039554 -0.00077627
0.00327743 0.00032033 0.00852017
-34.49836560 -1.03563954 0.21756620
-0.00055076 0.00071813 0.00037367
0.00738589 0.00206137 0.00069444
-33.23501436 1.44062577 0.28958471
-0.00065491 -0.00042372 -0.00110493
-0.01092818 0.03080588 0.00501252
13.24284172 13.12492223 -15.06980474
-0.00076174 0.00048073 0.00067984
0.03249031 -0.01913684 0.03922520
15.95903292 12.47701448 -14.20604675
0.00101319 -0.00052927 -0.00093895
0.01640698 -0.00399247 -0.00298375
-8.04658584 7.63827536 1.77394320
0.00077664 0.00011191 -0.00058243
-0.00051841 -0.00888614 -0.00136650
-7.37063683 4.86416010 1.47996273
0.00009725 -0.00088050 -0.00065583
0.00695473 -0.02340848 -0.02362924
6.28574094 12.37971924 -7.69511361
0.00005628 -0.00033697 -0.00025516
-0.01530774 0.00105419 -0.01694954
8.61430876 13.36872925 -6.28201549
-0.00072826 0.00000825 0.00051200
0.01346260 0.01634195 -0.00591188
8.89255623 8.31379647 -20.01692156
0.00040701 -0.00085881 0.00010558
-0.00877092 -0.01309600 -0.00600848
10.54887308 10.40225501 -19.16606912
0.00022673 -0.00015962 0.00065328
0.02317880 0.02299626 0.00113092
24.25852260 15.81786226 -2.81246688
0.00042165 0.00022011 -0.00017982
-0.01154883 0.01791483 0.00453295
24.13596797 18.77810386 -3.04592182
0.00078434 -0.00020078 -0.00013251
0.01509247 -0.00303376 0.00672855
1.53909393 16.86895623 -21.46526326
-0.00023688 -0.00058561 -0.00109367
0.00916895 0.00073980 0.01640352
3.34781776 15.63791010 -19.44387915
0.00003555 -0.00079978 -0.00007085
0.01462967 -0.01464948 0.00097057
13.10191805 -1.90049154 -7.06444804
0.00099930 -0.00031150 -0.00008704
0.00863084 0.00669862 -0.00339035
12.81121048 -1.07615150 -4.46993887
-0.00097545 -0.00007971 -0.00044916
-0.00085698 0.00718777 0.01762944
-17.81534932 -1.87782612 3.25635538
0.00010189 -0.00045946 0.00096180
-0.04336568 -0.02398407 -0.00329758
-15.07031664 -2.91193436 2.92730568
-0.00044884 -0.00028487 0.00092394
-0.00385551 -0.00194494 0.00544405
-16.14021839 -0.61335702 19.39048878
0.00165181 -0.00051754 -0.00100516
0.00214098 0.00393528 0.00254799
-14.84423136 -3.14719388 19.76171005
0.00041454 -0.00007330 -0.00031639
0.02078809 -0.02103564 0.01369950
-0.19269325 0.40187559 -5.05633454
0.00012181 0.00031050 -0.00010903
-0.01052228 0.02006725 0.00453675
-0.83420455 3.43947789 -5.11227672
0.00025072 0.00093255 -0.00021858
0.00307247 -0.01489844 0.00572392
23.88037916 -8.45112247 -9.20177146
0.00038721 0.00005364 0.00006391
0.00185769 -0.03181187 -0.00528698
23.90559310 -5.85025082 -8.18056137
-0.00040215 0.00046633 0.00040471
-0.00356349 0.01520175 0.00129870
-0.53406921 -6.20383490 5.48353110
-0.00037740 0.00043531 -0.00019622
0.01081073 0.00244281 0.00868023
0.85799957 -6.16572568 8.12823112
0.00040787 0.00107419 -0.00071868
0.00003681 0.00560332 -0.00985718
-0.18050491 -2.37685281 -19.54598040
-0.00010192 -0.00003586 -0.00004234
-0.03083838 0.00857529 0.00358532
-3.01546766 -2.18806062 -20.46425199
0.00021835 -0.00095484 -0.00084081
0.00282919 -0.00603550 -0.00983940
2.88341980 3.12141967 -10.22129224
0.00001185 -0.00056212 -0.00019533
-0.00170177 0.00437586 -0.02084440
1.83497348 1.86236996 -7.78569213
-0.00016712 0.00075337 0.00050669
0.02778949 -0.00313876 -0.01668608
-2.06024083 16.54803674 12.41296518
-0.00067790 0.00055532 0.00011907
-0.01418347 0.00876489 -0.00746812
-3.23999489 18.59761993 13.97088280
0.00131287 0.00079083 0.00002545
-0.00391345 0.00366646 -0.00780325
-5.57839319 6.22999901 -11.24278407
-0.00020420 0.00017713 -0.00118350
0.03340296 -0.03444654 -0.01598392
-3.89289931 3.63137527 -12.39548946
0.00071518 0.00075286 0.00027424
-0.00919686 0.03758989 0.01934170
-7.88841250 1.25630199 -7.80921144
-0.00067671 -0.00070138 -0.00013552
-0.00534845 -0.01081123 0.01823587
-6.00813105 2.98680464 -9.20160666
0.00000244 -0.00046398 0.00074346
-0.04725691 -0.00040613 0.00585381
2.95058719 27.37611136 7.23090169
-0.00037304 -0.00084081 -0.00054279
-0.00501133 0.00366071 -0.00497593
1.36048636 28.96332041 9.08294884
0.00052262 0.00002160 -0.00011005
0.00250541 -0.00662712 -0.00142581
10.54786470 -7.00388671 -0.43759665
-0.00049691 0.00091545 0.00018150
-0.01781550 0.00486314 -0.01813923
8.25822969 -7.60348578 -2.30601001
-0.00023843 -0.00010588 0.00077248
0.00891295 0.00931057 0.00748348
-7.14901149 -0.02881614 7.07716186
-0.00043807 -0.00043865 0.00099302
-0.02039763 0.01066797 -0.00534013
-10.15734273 0.59632158 7.14652595
0.00029168 -0.00011958 0.00013857
-0.02838525 -0.01536803 0.02683544
20.94710013 11.20381842 10.45587657
-0.00055929 0.00041614 0.00026258
0.00413985 -0.00214602 0.00223881
20.39009529 12.73763826 8.01170493
0.00043733 -0.00010404 -0.00060330
0.01293560 -0.02704792 0.01386928
-0.97665222 -3.41681258 -26.74209239
-0.00054315 -0.00094911 -0.00141069
0.01511673 -0.03358612 0.01779659
-3.33808362 -1.84993109 -26.44491946
-0.00046367 0.00062089 0.00028171
0.00146233 -0.00302855 -0.00626811
-13.46534464 6.83425217 9.62995896
-0.00009399 -0.00051319 0.00081401
-0.00681491 0.00688316 0.00587137
-15.21550733 7.45999432 7.35357296
0.00039766 0.00066225 0.00060102
0.00571101 -0.00074257 0.01088295
-11.49975988 7.61987150 -1.91083909
-0.00070515 -0.00094372 0.00069112
0.00294930 -0.00061399 -0.01338409
-8.89857312 8.07464198 -3.43387035
-0.00051889 -0.00030797 0.00081938
-0.01065207 0.00403797 0.00490958
-0.90843869 -16.65032341 22.41601994
0.00065243 0.00004647 -0.00059953
-0.01913228 0.01340464 0.01474903
-3.57292496 -15.49096245 23.68935213
0.00089531 0.00058508 -0.00005471
0.05378870 0.00314089 -0.01850906
-2.92256466 6.10983146 -7.91804720
-0.00056847 -0.00083885 -0.00011613
-0.00739934 -0.00027363 0.00953515
-4.43410351 6.57707871 -5.31870744
-0.00056628 0.00020879 0.00124980
0.00855859 0.00177805 -0.01299898
-21.87875932 29.78942418 2.95796632
0.00033765 -0.00015635 -0.00034064
0.02087939 0.00065735 0.01547617
-21.35682523 31.01585094 5.53923043
0.00071436 -0.00020050 -0.00069034
0.00728267 -0.00456278 -0.00496835
7.11455447 -0.23636250 5.87648229
0.00062506 0.00018952 0.00020596
0.00119135 0.03214111 0.02223241
7.13945956 2.31819387 7.99369665
-0.00053695 0.00036092 0.00003147
-0.00316564 -0.00941000 -0.01888531
6.91356417 12.62019418 -12.88508075
0.00017956 -0.00030572 0.00030057
-0.00131174 -0.01710104 -0.00640378
5.15317012 11.88239226 -14.83098985
0.00051379 0.00008002 -0.00012010
-0.03488232 0.02240112 -0.06316699
14.24130765 3.95414545 -2.02862553
0.00026463 0.00010993 0.00061652
-0.00266840 0.00758499 -0.00846612
14.79951003 1.31064184 -1.27577398
-0.00020931 -0.00002008 0.00088292
-0.00979070 -0.02952530 0.00310467
-3.00451919 12.12317768 -0.15422742
-0.00000037 -0.00089498 -0.00030945
0.00563080 -0.00243158 -0.00067716
-5.68551059 12.90050876 0.57388648
-0.00066222 -0.00003817 -0.00092121
-0.00822215 -0.00093399 0.00398141
3.20937284 11.61410109 2.39963809
0.00108982 0.00053716 -0.00060907
0.01191730 -0.00453450 0.00921759
6.19571742 11.38096259 3.06397981
0.00017943 0.00013015 -0.00017066
-0.02050491 0.01914636 -0.01413620
25.22418942 -12.79734030 -8.53541247
0.00024170 -0.00042339 -0.00087368
0.00099221 0.01443814 -0.01755955
26.22487971 -11.46816138 -11.41225273
-0.00126762 -0.00052199 0.00026737
-0.01692732 -0.01106375 0.03201462
15.86796748 -2.81793291 0.52978310
0.00081375 -0.00019348 -0.00022065
-0.02163536 0.00226340 0.01165260
16.88213646 -5.21316237 -0.74058667
-0.00031526 0.00070499 0.00008854
0.00012878 -0.03431823 0.00246684
12.06645890 8.13964380 11.52729310
0.00089894 0.00002999 -0.00016326
0.02878794 -0.01255313 -0.00900273
13.57292502 9.45945016 9.50020373
0.00124033 -0.00042958 -0.00058484
0.01233339 0.00246315 -0.00358284
0.02897287 -14.65634732 17.30468679
-0.00001181 -0.00026804 -0.00060694
0.01056720 0.01006342 0.00302530
1.86289912 -12.77167280 18.78619233
0.00092724 -0.00038527 0.00004003
-0.00576424 0.01917250 0.01373001
-3.73224689 -1.69417838 -12.62637089
0.00062951 0.00039247 0.00115604
-0.00175101 -0.00143191 0.00726909
-2.71353056 -1.84280092 -15.23711158
0.00025902 0.00058097 0.00152893
-0.00325034 0.01035477 -0.00520508
14.74403337 -7.99243237 -10.60209456
-0.00038354 0.00032873 0.00056281
-0.00911403 -0.00932051 -0.00375792
16.42787075 -6.18227454 -9.04476288
-0.00013922 -0.00062554 -0.00033073
-0.02264713 -0.02280261 0.00582071
7.09893240 -5.69703962 8.62876815
-0.00004266 0.00083868 0.00095339
-0.01115333 0.01545219 -0.00574229
9.82733079 -6.57194791 7.97081491
0.00096601 -0.00001720 -0.00002297
0.00611894 0.00783849 -0.01161392
-21.04542371 2.13057516 21.00409700
0.00096693 0.00001460 -0.00030371
-0.00922642 -0.00099017 0.02529982
-22.33504034 1.34211944 23.67743989
0.00021759 -0.00056582 -0.00096301
-0.01506389 -0.01445979 -0.00063951
26.93749801 -2.83510804 -6.86464784
0.00063577 0.00033671 -0.00026666
0.00134957 -0.00356233 -0.00127918
25.54603141 -1.35193343 -8.97485211
0.00061107 0.00034585 -0.00021398
-0.00035121 -0.01522742 0.00630614
10.01523228 -15.64165312 -7.82578413
-0.00016583 -0.00045061 0.00064006
-0.00385978 0.01700336 -0.00434871
9.25960926 -12.79445568 -7.25824819
-0.00067596 -0.00000889 -0.00076967
-0.00346712 -0.00102834 -0.00363845
-5.80913028 -11.34387840 18.23495199
0.00057302 0.00020737 0.00074651
0.01039511 0.01305898 0.01810298
-6.74077449 -11.13610508 15.54379702
0.00009121 0.00019616 -0.00001908
-0.00261512 -0.00176011 -0.00035646
8.80816883 1.55824749 -29.50147111
0.00119975 0.00030680 0.00002611
-0.00697046 -0.00482470 -0.00542519
5.89959205 2.33609387 -30.25271224
-0.00013828 -0.00088651 -0.00028454
0.01983103 -0.00490424 0.00890484
12.74514405 15.11705405 14.64529637
0.00092794 0.00052914 -0.00008054
-0.02706514 0.01424705 0.00215628
11.49977562 16.19673268 17.04946233
0.00047417 0.00034357 -0.00005984
0.00618158 0.01505143 0.05619216
29.03538405 5.22819719 -4.92421051
-0.00046411 0.00035185 -0.00054150
0.00941991 -0.00197114 0.00980373
27.08717887 6.99012348 -3.85869203
0.00046209 0.00016320 -0.00011438
0.01170236 -0.00196004 0.00856788
-9.95358940 5.05828415 6.44385066
0.00001115 0.00028921 -0.00018571
0.00300316 0.00261011 0.00514110
-8.85943183 13.37428806 2.60936369
-0.00013586 0.00001818 0.00004282
-0.00023314 -0.00334249 0.00503496
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09413639
0.29857683
397.83865406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3886993869 (a.u.)
total exchange computation time: 2.7167029381 s
-154.1489549914
-931.39624796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3879394690 (a.u.)
total exchange computation time: 2.7137799263 s
-154.1560750136
Anderson extrapolation: theta=1.3637274086 (1.3637274086)
-931.39647434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3867983405 (a.u.)
total exchange computation time: 2.7145929337 s
-154.1666431306
Anderson extrapolation: theta=0.0579165655 (0.0579165655)
-931.39661182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3866512074 (a.u.)
total exchange computation time: 2.7164430618 s
-154.1679583481
Anderson extrapolation: theta=2.0499385462 (2.0000000000)
-931.39661776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3863354529 (a.u.)
total exchange computation time: 2.7141737938 s
-154.1707226254
Anderson extrapolation: theta=0.2570837883 (0.2570837883)
-931.39662452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3862517774 (a.u.)
total exchange computation time: 2.7140080929 s
-154.1714049734
Anderson extrapolation: theta=1.6187718781 (1.6187718781)
-931.39662594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3861384038 (a.u.)
total exchange computation time: 2.7131619453 s
-154.1722781029
Anderson extrapolation: theta=0.3185353307 (0.3185353307)
-931.39662746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3861249886 (a.u.)
total exchange computation time: 2.7142031193 s
-154.1723312447
Anderson extrapolation: theta=1.2159725370 (1.2159725370)
-931.39662788
-118.369834 69.075680 97.160038
560.430832 1031.736013 -409.248641
442.060999 1100.811692 -312.088602
1226.622845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1350135208
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3861258287 (a.u.)
total exchange computation time: 2.7127921581 s
679.25842337
-1084.23077120
89.68053953
-388.82477438
-174.89391971
78.52935900
551.60419304
0.00000000
-931.39662821
4.06297617 -31.48447263 -2.22786984
-0.00003961 -0.00042186 -0.00012091
0.01092704 -0.00582435 -0.00429075
-11.64126584 -1.44067455 -9.40603737
-0.00031471 0.00013788 -0.00012900
0.01185370 0.01972109 0.01660664
-37.53123618 2.44039148 0.21938926
-0.00000458 0.00009753 -0.00002537
-0.00268248 -0.02201836 0.02869236
-11.76748163 -4.20971120 4.07577329
-0.00008468 0.00002050 0.00018140
-0.03682252 0.02759686 0.02530875
3.98722256 -4.11803173 8.72614102
-0.00024918 -0.00025631 -0.00041663
-0.00207000 -0.03988899 0.00297438
-32.84460142 -0.26905027 0.11235102
-0.00062386 0.00015599 0.00047920
0.00696045 -0.03702326 -0.00742385
14.29047097 12.48623918 -13.51483754
-0.00023601 0.00013950 0.00005697
-0.03176498 0.02685903 -0.05028331
-7.74977608 6.08888528 2.71931054
-0.00000906 0.00013685 0.00030232
-0.00010104 0.02477983 0.01628510
7.24427945 12.14822530 -6.21181556
-0.00006829 -0.00022650 -0.00036957
0.00802026 -0.01610282 0.02029406
8.83715902 9.87863134 -19.14227578
0.00008767 -0.00022753 -0.00015600
-0.01599410 -0.01840999 0.00465088
23.18019375 17.35568581 -2.42627950
0.00002104 0.00002241 -0.00027165
0.01585462 -0.02459526 -0.00744252
2.06438708 16.88869378 -19.64448760
-0.00018032 0.00031201 0.00019134
-0.02394609 0.01474913 -0.01939015
14.02308132 -0.90348834 -5.79809000
0.00007433 -0.00007550 0.00004683
-0.00646569 -0.03014403 0.00278291
-16.13246369 -1.44097507 3.20512065
-0.00016735 -0.00015416 -0.00005205
0.04847012 0.01595853 0.00732709
-16.05212388 -2.32679424 18.76158882
0.00030465 -0.00018222 -0.00008766
-0.02641195 0.01382329 -0.02072528
0.44208358 2.14005711 -4.63813083
-0.00007620 -0.00001473 0.00018361
0.00006701 0.00147948 -0.01445048
22.73875432 -7.10546080 -8.81221861
-0.00000063 -0.00005219 -0.00001540
-0.00175902 0.01345635 0.00456363
-0.76201734 -6.40222551 7.30156432
-0.00012816 -0.00021481 0.00001815
-0.01093127 -0.00212805 -0.00746313
-1.80211992 -1.41485828 -19.34567929
-0.00002804 0.00001391 0.00009800
0.02810632 -0.01041459 0.00190913
3.11389584 1.60898034 -9.22910266
-0.00018498 -0.00008696 0.00009598
-0.03281265 0.01402789 0.03341930
-3.56328374 17.72705531 12.34624817
0.00040671 -0.00007425 0.00009043
0.01243320 -0.00176461 0.01946751
-3.90009862 5.18557645 -11.27895291
-0.00012567 0.00016625 -0.00024174
-0.02243837 0.00438539 -0.00369596
-7.89017350 2.71040931 -8.86790282
0.00011086 0.00002356 -0.00004298
0.04665234 0.02601876 -0.02771836
2.51380306 27.54113730 8.99205648
0.00009370 0.00009352 0.00050068
-0.00060111 -0.00207479 0.00558787
9.38367871 -6.26096477 -1.72780106
-0.00026887 -0.00009145 0.00016115
0.00879498 -0.00889027 0.01495231
-8.66913501 0.71377687 6.21964346
0.00003236 -0.00009643 0.00016280
0.05022560 -0.00153556 -0.01940729
20.53316064 10.94653571 8.70221311
0.00010008 0.00019801 -0.00015276
-0.01170835 0.02494188 -0.01660153
-1.95581915 -2.22643923 -27.61901137
0.00013113 -0.00008845 -0.00009186
-0.03777934 0.03628494 -0.01166878
-14.13851792 6.16195109 8.09154773
0.00032874 -0.00005904 0.00023800
0.00396755 -0.00545010 -0.01365218
-9.72086057 7.22275164 -1.98493567
-0.00020915 0.00001035 0.00036874
0.00097741 -0.00375748 0.00444940
-1.77397847 -15.06650316 23.03985841
-0.00021681 0.00028508 -0.00048907
-0.03118209 -0.02224649 0.00054458
-2.77488115 6.26825062 -6.06539964
-0.00001577 -0.00018702 0.00011789
-0.00115739 -0.00857996 -0.00030041
-20.44067985 30.09353826 4.22084193
-0.00052630 -0.00050593 0.00021164
-0.01958295 0.00887630 -0.00958145
7.77581679 0.66970712 7.47418388
0.00019620 0.00044286 -0.00016288
0.00757566 -0.01570807 0.00052559
5.79922180 11.13632627 -13.42642644
0.00013070 -0.00059986 0.00000999
0.04236142 -0.00272191 0.04824244
15.62845818 2.84301535 -1.61710256
0.00012220 0.00029675 0.00030500
0.01141410 0.02047304 0.00627312
-4.45517426 13.00420720 -0.77600021
0.00000677 -0.00039373 0.00009083
0.00802969 0.00117667 -0.01355103
4.78066718 12.58415122 2.48270687
-0.00013502 0.00013767 -0.00031559
0.01808711 -0.01650797 0.02023673
25.03283208 -11.44561573 -9.80702670
-0.00016943 0.00018401 0.00028086
0.00979093 -0.00405421 -0.00225372
16.91779067 -3.43626152 -0.77208298
0.00034057 0.00035093 -0.00006660
0.02129620 0.03115045 -0.01669976
13.51771458 7.78734429 10.27460406
0.00029059 -0.00032932 0.00009131
-0.02508873 0.00351027 0.00756380
1.78749950 -14.02375956 17.52138855
0.00027610 0.00014162 -0.00001256
-0.00425110 -0.02498524 -0.02203799
-3.65233644 -0.69406717 -14.15646180
0.00023073 -0.00007665 -0.00004189
-0.00792992 -0.00502370 0.01320131
14.97508072 -7.58722004 -8.83556978
0.00012590 -0.00022181 -0.00009608
0.04432016 0.02040370 -0.00114039
8.38517656 -6.91581368 8.97942050
0.00002889 0.00033741 0.00011714
0.00715790 -0.01396152 0.01602854
-21.11245001 2.40770608 22.88507465
0.00000957 0.00026314 0.00016694
0.02222933 0.02166838 -0.03319672
25.74001538 -3.08047445 -8.24227300
0.00010208 0.00012135 -0.00008108
0.00758126 0.01171910 0.00142947
9.93418363 -13.92772690 -8.55646040
0.00007228 0.00001874 -0.00041546
-0.00125438 -0.02628736 0.00949456
-6.67864080 -12.27848923 16.97652079
0.00007996 0.00029155 -0.00007306
-0.00615279 -0.00516131 -0.00746033
7.47685288 2.79511610 -29.32769803
-0.00047481 -0.00047138 -0.00004241
-0.00090860 0.00790465 -0.00097785
11.00840999 15.77498853 15.44655180
-0.00035754 0.00035549 0.00014462
0.00557310 -0.02544917 -0.05597362
28.82799519 6.39117187 -3.47467689
0.00014474 0.00026574 0.00002044
-0.01572332 -0.00163095 -0.01387370
5.25189568 -32.15039825 -3.51324128
-0.00038512 -0.00044752 -0.00048503
-0.00956107 0.00811641 0.00445782
4.85625809 -31.69133548 -0.51871561
-0.00017942 -0.00078021 0.00018483
-0.01029577 0.00417455 -0.01500345
-12.22779110 -3.11437918 -9.43832092
-0.00055725 0.00034548 -0.00093526
-0.01276741 -0.02776151 -0.00348940
-12.08122038 -0.56689557 -10.90655645
0.00037995 0.00045161 -0.00063707
-0.00684670 0.00133280 -0.01657836
-38.96925032 2.40797266 1.38837816
0.00011718 0.00037136 -0.00006599
0.01078689 -0.00400615 -0.01190000
-37.83962115 3.82964431 -0.82674222
0.00023592 0.00063791 -0.00048313
-0.00555692 0.03437847 -0.02864806
-10.84248098 -5.41613853 3.22040175
-0.00030076 0.00005925 0.00013899
0.02534224 -0.04249658 -0.02309495
-10.57466986 -2.89178472 4.32583160
0.00016286 -0.00009093 0.00096700
0.00807021 0.01993902 0.00416258
4.10294095 -2.38852683 8.44249425
-0.00034251 0.00024684 0.00018473
0.00513956 0.03931459 -0.01044465
3.61862802 -4.21506948 10.50899909
0.00011207 -0.00039545 -0.00073492
0.00241305 -0.00027380 0.01172123
-34.50640061 -1.02480449 0.22319246
-0.00052503 0.00072315 0.00037717
0.00520860 0.00040043 0.00101874
-33.24517294 1.43521391 0.27316436
-0.00070160 -0.00028468 -0.00108383
-0.01192611 0.03725702 0.00531534
13.23241116 13.13154683 -15.05840523
-0.00062806 0.00040234 0.00083803
0.03294976 -0.01923643 0.03821426
15.97473356 12.46895308 -14.22022247
0.00105576 -0.00054468 -0.00094205
0.00443151 -0.00354912 0.00146968
-8.03495215 7.63968173 1.76516484
0.00077461 0.00007246 -0.00058516
-0.00047599 -0.01042421 0.00003004
-7.36896498 4.85023523 1.46940125
0.00012095 -0.00095914 -0.00073439
0.00464748 -0.01508582 -0.01482792
6.28611611 12.37469707 -7.69946039
-0.00000718 -0.00033181 -0.00032641
-0.01575708 0.00146848 -0.01792841
8.60379746 13.36935382 -6.27451672
-0.00066990 0.00007791 0.00048716
0.01510191 0.01775487 -0.00624712
8.89839264 8.30051307 -20.01552193
0.00037164 -0.00090493 0.00008513
-0.00854424 -0.00948182 -0.00400255
10.55298423 10.40056534 -19.15623533
0.00031831 -0.00006720 0.00065760
0.02165377 0.02224483 0.00098628
24.26449348 15.82171281 -2.81502528
0.00037341 0.00029220 -0.00016106
-0.01206438 0.01737340 0.00465200
24.14819556 18.77499925 -3.04770333
0.00084323 -0.00021400 -0.00010397
0.01373389 -0.00344003 0.00724092
1.53582175 16.86019471 -21.48116570
-0.00019664 -0.00058048 -0.00101357
0.01052527 0.00177314 0.02280931
3.34879934 15.62546453 -19.44491221
0.00008469 -0.00084892 -0.00006772
0.00942312 -0.00940498 0.00056419
13.11717205 -1.90495875 -7.06585759
0.00103259 -0.00028668 -0.00010292
0.00766444 0.00544925 -0.00437996
12.79655253 -1.07712693 -4.47613598
-0.00097515 -0.00004972 -0.00038174
0.00100077 0.00749542 0.01537334
-17.81514987 -1.88545290 3.27068140
-0.00007696 -0.00055763 0.00094905
-0.04418020 -0.02407048 -0.00294733
-15.07716742 -2.91626707 2.94133162
-0.00046241 -0.00029481 0.00094537
-0.00278810 -0.00291940 0.00504342
-16.11537556 -0.62099956 19.37548939
0.00165900 -0.00049107 -0.00099166
0.00137423 0.00902223 0.00406069
-14.83737630 -3.14893805 19.75738404
0.00050013 -0.00016068 -0.00026022
0.02111027 -0.02173482 0.01379535
-0.19118847 0.40714807 -5.05783091
0.00007753 0.00038927 -0.00009111
-0.01115623 0.01848883 0.00423378
-0.83034963 3.45300959 -5.11538007
0.00026620 0.00086702 -0.00019356
0.00450690 -0.01717771 0.00652388
23.88624417 -8.45129274 -9.20097483
0.00039298 -0.00007259 0.00004371
0.00096845 -0.02997736 -0.00460190
23.89945171 -5.84279006 -8.17445086
-0.00041857 0.00052459 0.00040809
-0.00447622 0.01331908 0.00035170
-0.53939895 -6.19723033 5.48085381
-0.00033455 0.00044480 -0.00015799
0.01016415 0.00220269 0.01003349
0.86411871 -6.14944107 8.11714887
0.00040378 0.00109599 -0.00075981
-0.00203831 0.00506567 -0.01027380
-0.18297871 -2.37712797 -19.54650562
-0.00022582 -0.00000097 -0.00002691
-0.02981216 0.00850311 0.00396979
-3.01210577 -2.20256812 -20.47716565
0.00023732 -0.00097316 -0.00087281
0.00645782 -0.00293448 -0.00582292
2.88354542 3.11312201 -10.22486094
0.00000448 -0.00054104 -0.00028251
-0.00190541 0.00594265 -0.02182917
1.83331827 1.87357437 -7.77860314
-0.00005167 0.00073894 0.00043639
0.02872077 -0.00392422 -0.01772402
-2.07084391 16.55663516 12.41452238
-0.00072548 0.00058237 0.00008777
-0.00910931 0.00447622 -0.00785110
-3.22042182 18.60959467 13.97102541
0.00129475 0.00080314 -0.00001027
-0.00495280 0.00235943 -0.00968077
-5.58043255 6.23160048 -11.26102630
-0.00006796 0.00003652 -0.00124718
0.03328302 -0.03438536 -0.01519271
-3.88245341 3.64382003 -12.39078310
0.00067702 0.00089839 0.00034722
-0.00948295 0.03364792 0.01637794
-7.89872704 1.24545003 -7.81068538
-0.00069838 -0.00073770 -0.00006639
-0.00525702 -0.00696799 0.01560080
-6.00954260 2.97983245 -9.19027543
-0.00018694 -0.00046463 0.00076598
-0.04544339 0.00008803 0.00517024
2.94483803 27.36361133 7.22260738
-0.00039713 -0.00082428 -0.00054792
-0.00678092 0.00443280 0.00246564
1.36840245 28.96344133 9.08125447
0.00052880 -0.00000092 -0.00011533
0.00052162 -0.00439821 -0.00116187
10.53986519 -6.99000590 -0.43542995
-0.00056568 0.00093192 0.00011183
-0.01584895 0.00319653 -0.01596466
8.25492636 -7.60478861 -2.29419353
-0.00020384 -0.00007021 0.00080212
0.00801988 0.00814955 0.00702591
-7.15620756 -0.03506904 7.09189350
-0.00052126 -0.00039393 0.00096888
-0.02032660 0.01122232 -0.00647596
-10.15383729 0.59405700 7.14942687
0.00017213 -0.00018165 0.00024921
-0.03013540 -0.01501544 0.02732105
20.93883762 11.20999470 10.45988392
-0.00054360 0.00040718 0.00026703
0.00354298 -0.00223753 -0.00006032
20.39705155 12.73524890 8.00308039
0.00049010 -0.00021213 -0.00054647
0.01289775 -0.02586506 0.01395241
-0.98433620 -3.43207845 -26.76270746
-0.00047838 -0.00109038 -0.00133383
0.01658798 -0.03556693 0.01982723
-3.34499391 -1.84071050 -26.44088582
-0.00044818 0.00060446 0.00024917
0.00612350 -0.00501327 -0.00966082
-13.46696339 6.82676526 9.64234905
-0.00012247 -0.00048634 0.00083589
-0.00712170 0.00625907 0.00483779
-15.20936737 7.46990528 7.36292179
0.00042327 0.00065589 0.00064697
0.00682501 -0.00237167 0.01160884
-11.51024681 7.60569691 -1.90088235
-0.00068833 -0.00094636 0.00063535
0.00528757 -0.00067876 -0.01391573
-8.90668294 8.07014614 -3.42142923
-0.00055993 -0.00028741 0.00083270
-0.00943700 0.00602872 0.00161254
-0.89923851 -16.64921555 22.40747897
0.00057029 0.00010582 -0.00053668
-0.02107456 0.01564456 0.01601573
-3.55784710 -15.48208993 23.68796432
0.00110553 0.00059470 -0.00012777
0.04911829 0.00156648 -0.01725592
-2.93131841 6.09724037 -7.91949698
-0.00059908 -0.00083902 -0.00007361
-0.00758705 0.00018884 0.01127682
-4.44233548 6.58026506 -5.30035883
-0.00051897 0.00021378 0.00118993
0.01460077 0.00066576 -0.01630801
-21.87305474 29.78709901 2.95333092
0.00041972 -0.00015370 -0.00027798
0.01929276 0.00064109 0.01519839
-21.34588665 31.01270369 5.52872311
0.00073530 -0.00021167 -0.00069978
0.00296512 -0.00090672 0.00034491
7.12396686 -0.23253481 5.88025304
0.00062804 0.00031966 0.00029404
0.00026564 0.03156576 0.02087889
7.13130836 2.32331926 7.99359001
-0.00054839 0.00031996 -0.00004666
-0.00243639 -0.01063980 -0.01936073
6.91621739 12.61508436 -12.88076836
0.00017218 -0.00037818 0.00027385
-0.00229916 -0.01836838 -0.00667941
5.15980808 11.88427893 -14.83472703
0.00037516 0.00016809 -0.00037075
-0.03297811 0.02071083 -0.05952488
14.24519538 3.95602685 -2.01963714
0.00025022 0.00014368 0.00058053
-0.00438725 0.00893299 -0.00914980
14.79607032 1.30943591 -1.26243498
-0.00024421 -0.00013113 0.00089364
-0.00728942 -0.02483409 0.00214223
-3.00435225 12.10967843 -0.15888986
0.00001964 -0.00090407 -0.00031143
0.00416514 -0.00201791 -0.00029151
-5.69569585 12.89990754 0.56019026
-0.00069726 -0.00004324 -0.00090065
-0.00893000 -0.00154462 0.00608739
3.22608534 11.62201959 2.39078452
0.00112209 0.00050943 -0.00057213
0.00387770 -0.00903916 0.00886372
6.19778056 11.38350160 3.06098677
0.00009501 0.00020938 -0.00022892
-0.02082209 0.01963432 -0.01438586
25.22784534 -12.80324879 -8.54905580
0.00024528 -0.00036718 -0.00094143
0.00076147 0.01307936 -0.01560398
26.20534667 -11.47633025 -11.40726116
-0.00133425 -0.00056598 0.00039545
-0.01568559 -0.01046880 0.03068183
15.87951070 -2.82076581 0.52683036
0.00071948 -0.00017924 -0.00016554
-0.02450846 0.00470840 0.01532531
16.87741149 -5.20363918 -0.73918295
-0.00031419 0.00055930 0.00009752
0.00039582 -0.03699586 0.00192825
12.08082510 8.13970904 11.52456837
0.00101228 -0.00002016 -0.00019731
0.02669498 -0.01199925 -0.00766830
13.59190784 9.45308196 9.49132134
0.00128913 -0.00042221 -0.00059718
0.01155734 0.00114456 -0.00245513
0.02911949 -14.66005957 17.29567533
0.00003610 -0.00022378 -0.00059267
0.01288673 0.01160286 0.00396012
1.87663116 -12.77686439 18.78721344
0.00090246 -0.00030373 0.00009966
-0.00636565 0.02074241 0.01546033
-3.72285792 -1.68833513 -12.60880759
0.00062257 0.00039260 0.00117577
-0.00164510 0.00149281 0.00238955
-2.70974484 -1.83376909 -15.21433715
0.00025612 0.00061009 0.00149484
0.00182903 0.00389792 -0.01148185
14.73800102 -7.98778697 -10.59376764
-0.00042261 0.00028755 0.00053681
-0.01001304 -0.01083795 -0.00896604
16.42508850 -6.19235638 -9.04954546
-0.00022956 -0.00071617 -0.00030557
-0.02157339 -0.02155938 0.00649760
7.09795079 -5.68398589 8.64289307
-0.00008409 0.00089908 0.00092928
-0.00912813 0.01411166 -0.00605894
9.84200850 -6.57196564 7.97011441
0.00097856 0.00001357 -0.00006314
0.00002472 0.00721886 -0.00804598
-21.03120254 2.13076383 21.00031655
0.00092896 0.00001192 -0.00019492
-0.00936091 -0.00032268 0.02795818
-22.33223811 1.33318908 23.66297516
0.00015467 -0.00062597 -0.00096382
-0.01573482 -0.01498352 0.00024059
26.94707590 -2.83016651 -6.86868692
0.00063887 0.00032098 -0.00027407
0.00016739 -0.00413960 -0.00234880
25.55518670 -1.34721233 -8.97786859
0.00060873 0.00028189 -0.00018764
-0.00079557 -0.01608217 0.00658717
10.01262648 -15.64789121 -7.81631643
-0.00018158 -0.00037122 0.00061695
-0.00384836 0.02185839 -0.00696383
9.24936364 -12.79462047 -7.26990472
-0.00068979 -0.00001240 -0.00078434
-0.00330451 -0.00069119 -0.00354329
-5.80021646 -11.34036771 18.24670431
0.00060867 0.00025436 0.00080985
0.00705415 0.00994171 0.01290330
-6.73948644 -11.13321661 15.54349993
0.00008114 0.00019021 -0.00002074
-0.00231431 -0.00115252 -0.00045822
8.82595145 1.56270163 -29.50124567
0.00116247 0.00029354 0.00000406
-0.01127536 -0.00166414 -0.00536765
5.89812559 2.32264590 -30.25670748
-0.00005792 -0.00090713 -0.00024905
0.01950484 -0.00519048 0.00846837
12.75823383 15.12542768 14.64415439
0.00081117 0.00058820 -0.00007035
-0.03009766 0.01466269 0.00282805
11.50707761 16.20234743 17.05028656
0.00049827 0.00040435 0.00016697
0.00561266 0.01470075 0.05483469
29.02871109 5.23341447 -4.93203265
-0.00042481 0.00034531 -0.00049831
0.00981532 -0.00122619 0.01134147
27.09446883 6.99251140 -3.86014518
0.00050553 0.00015740 -0.00007925
0.00956250 -0.00087617 0.00862820
-9.95341404 5.06262926 6.44107882
0.00001222 0.00029010 -0.00018386
0.00293470 0.00237448 0.00517976
-8.86147014 13.37455492 2.61001477
-0.00013591 0.00001741 0.00004398
-0.00019321 -0.00323928 0.00494687
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09453090
0.30209731
402.52951424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3798705524 (a.u.)
total exchange computation time: 2.6578149796 s
-154.1204133440
-931.39976849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3792966944 (a.u.)
total exchange computation time: 2.6567721367 s
-154.1265224059
Anderson extrapolation: theta=1.4173526953 (1.4173526953)
-931.40000459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3784511586 (a.u.)
total exchange computation time: 2.6590590477 s
-154.1356972466
Anderson extrapolation: theta=0.0783069714 (0.0783069714)
-931.40016078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3783707799 (a.u.)
total exchange computation time: 2.6563558578 s
-154.1367788185
Anderson extrapolation: theta=2.4746330782 (2.0000000000)
-931.40017162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3782320657 (a.u.)
total exchange computation time: 2.6561100483 s
-154.1388165735
Anderson extrapolation: theta=0.5015353991 (0.5015353991)
-931.40018675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3782006127 (a.u.)
total exchange computation time: 2.6606888771 s
-154.1395128554
Anderson extrapolation: theta=0.8178591192 (0.8178591192)
-931.40019147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3782178853 (a.u.)
total exchange computation time: 2.6550979614 s
-154.1396842138
Anderson extrapolation: theta=0.6501080345 (0.6501080345)
-931.40019408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3782651262 (a.u.)
total exchange computation time: 2.6565089226 s
-154.1394539658
Anderson extrapolation: theta=0.6549647588 (0.6549647588)
-931.40019509
-118.383256 69.088306 97.161328
560.489121 1031.729171 -409.248563
442.105865 1100.817477 -312.087234
1226.643858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3783194240 (a.u.)
total exchange computation time: 2.6603438854 s
679.13837254
-1083.97726950
89.68974648
-388.99818421
-174.87454135
78.38717259
551.60419304
0.00000000
-931.40019545
4.06242414 -31.49082294 -2.22970010
-0.00003396 -0.00042489 -0.00012289
0.01104490 -0.00596098 -0.00340986
-11.64594083 -1.43853022 -9.40790833
-0.00030879 0.00014860 -0.00012127
0.01118154 0.02195549 0.01344244
-37.53131527 2.44176946 0.21911944
-0.00000596 0.00008759 -0.00001184
-0.00266238 -0.01661763 0.02390202
-11.76889389 -4.20929717 4.07859197
-0.00010334 0.00003508 0.00019456
-0.03573659 0.02908666 0.02585408
3.98347682 -4.12203026 8.71990307
-0.00025006 -0.00027549 -0.00041599
-0.00135465 -0.03470374 -0.00047524
-32.85393251 -0.26685330 0.11951038
-0.00061950 0.00013619 0.00047529
0.01000281 -0.03996253 -0.00776384
14.28680822 12.48843533 -13.51417698
-0.00024941 0.00015304 0.00003049
-0.02032699 0.02578907 -0.05268191
-7.74991243 6.09103358 2.72390817
-0.00000852 0.00014782 0.00030818
0.00222555 0.01790151 0.00650180
7.24328606 12.14476574 -6.21728080
-0.00006454 -0.00023511 -0.00035911
0.00655294 -0.01739959 0.02036595
8.83841235 9.87514736 -19.14459780
0.00007992 -0.00023762 -0.00015409
-0.01414201 -0.02081966 0.00278175
23.18057048 17.35592707 -2.43038303
0.00002959 0.00001001 -0.00027564
0.01740528 -0.02361421 -0.00803675
2.06158989 16.89343089 -19.64169225
-0.00019158 0.00031799 0.00018006
-0.01981763 0.00847609 -0.02447246
14.02417132 -0.90473708 -5.79737677
0.00007068 -0.00009083 0.00004914
-0.00773948 -0.02947500 0.00619894
-16.13478705 -1.44322598 3.20436824
-0.00014307 -0.00014580 -0.00004831
0.04595542 0.01656374 0.00719426
-16.04765606 -2.32947420 18.76019395
0.00029131 -0.00017637 -0.00009853
-0.02543288 0.00892962 -0.02155141
0.44094081 2.13984190 -4.63543248
-0.00007628 -0.00001295 0.00017606
-0.00038201 0.00543744 -0.01487732
22.73873802 -7.10619175 -8.81243195
-0.00000087 -0.00004534 -0.00001295
0.00085579 0.01317122 0.00493715
-0.76398194 -6.40545580 7.30180782
-0.00013307 -0.00021566 0.00001406
-0.00814078 -0.00118852 -0.00844626
-1.80243214 -1.41468977 -19.34420191
-0.00001486 0.00000789 0.00009784
0.02316844 -0.01299584 -0.00253431
3.11099463 1.60773011 -9.22753404
-0.00020195 -0.00007985 0.00011350
-0.03317901 0.01362161 0.03469655
-3.55713516 17.72593475 12.34767974
0.00041181 -0.00007357 0.00010098
0.00742320 0.00439088 0.02153968
-3.90207015 5.18808714 -11.28259325
-0.00013700 0.00016963 -0.00024283
-0.02161996 0.00874021 -0.00053334
-7.88833058 2.71086311 -8.86865449
0.00013408 0.00003574 -0.00005630
0.04362112 0.02132692 -0.02407790
2.51520625 27.54253215 8.99958817
0.00009431 0.00009165 0.00050164
0.00297403 -0.00519787 -0.00185661
9.37967954 -6.26237080 -1.72532610
-0.00026469 -0.00009519 0.00016833
0.00747508 -0.00566949 0.01294469
-8.66845584 0.71232447 6.22201060
0.00005812 -0.00009738 0.00015314
0.04993634 -0.00216493 -0.01817410
20.53461663 10.94960207 8.69985765
0.00009419 0.00021042 -0.00016061
-0.01119013 0.02331188 -0.01392333
-1.95399788 -2.22762605 -27.62043427
0.00011051 -0.00006912 -0.00009750
-0.04240700 0.03888951 -0.01024610
-14.13357150 6.16104447 8.09506512
0.00033062 -0.00006129 0.00023116
0.00334763 -0.00330020 -0.01294417
-9.72399398 7.22289244 -1.97938743
-0.00020962 0.00000791 0.00037196
-0.00281188 -0.00574530 0.00809049
-1.77735096 -15.06231274 23.03252442
-0.00023090 0.00027358 -0.00048952
-0.02359055 -0.02246458 -0.00226409
-2.77512212 6.26541218 -6.06363238
-0.00001761 -0.00019127 0.00011804
-0.00601763 -0.00794175 0.00085665
-20.44864987 30.08598359 4.22397953
-0.00053474 -0.00050243 0.00020544
-0.01323672 0.00472686 -0.01450965
7.77878899 0.67628940 7.47174277
0.00020022 0.00043526 -0.00016201
0.00807837 -0.01383775 0.00285528
5.80134576 11.12731782 -13.42609047
0.00015191 -0.00060014 0.00003320
0.04009721 0.00164256 0.04201430
15.63033521 2.84754563 -1.61250338
0.00012767 0.00030560 0.00030870
0.00985558 0.01391294 0.00812063
-4.45504174 12.99830574 -0.77469010
0.00001142 -0.00039315 0.00008331
0.01005541 0.00109068 -0.01566159
4.77871164 12.58615255 2.47805113
-0.00012353 0.00013027 -0.00030497
0.02658755 -0.01225387 0.02104363
25.03032837 -11.44287124 -9.80282253
-0.00016478 0.00018209 0.00027947
0.00828702 -0.00338746 -0.00313563
16.92298130 -3.43087743 -0.77314646
0.00035204 0.00036672 -0.00007581
0.02333698 0.03024250 -0.01910273
13.52197668 7.78241802 10.27600287
0.00027856 -0.00032726 0.00009436
-0.02171425 0.00449884 0.00430442
1.79162453 -14.02173166 17.52111521
0.00027349 0.00012820 -0.00002438
-0.00586054 -0.02719720 -0.02393887
-3.64890608 -0.69523628 -14.15703929
0.00022524 -0.00007825 -0.00003221
-0.01341648 -0.00120110 0.02447165
14.97714012 -7.59046845 -8.83701531
0.00014849 -0.00021120 -0.00009542
0.04352740 0.02083259 0.00370417
8.38563752 -6.91080646 8.98123942
0.00003343 0.00033075 0.00012448
0.01051060 -0.01192042 0.01252233
-21.11222070 2.41173671 22.88745071
0.00002101 0.00027418 0.00014923
0.02224743 0.02129471 -0.03565821
25.74157582 -3.07860906 -8.24348369
0.00010636 0.00012759 -0.00008011
0.00905553 0.01257192 0.00234690
9.93526292 -13.92754715 -8.56265564
0.00007157 0.00000414 -0.00040996
-0.00148154 -0.03050806 0.01187640
-6.67746517 -12.27413590 16.97539613
0.00007762 0.00028950 -0.00007539
-0.00293881 -0.00278954 -0.00160450
7.46972716 2.78807584 -29.32833800
-0.00047403 -0.00046790 -0.00004273
0.00395250 0.00562507 -0.00023537
11.00306842 15.78022275 15.44850523
-0.00035353 0.00034252 0.00011655
0.01001716 -0.02501407 -0.05318844
28.83010560 6.39515162 -3.47442375
0.00013720 0.00026435 0.00001296
-0.01357452 -0.00375902 -0.01523870
5.24582585 -32.15686234 -3.52038013
-0.00042360 -0.00041433 -0.00046592
-0.00927432 0.00812804 0.00489535
4.85325126 -31.70291071 -0.51640291
-0.00022155 -0.00076252 0.00012030
-0.01032454 0.00448578 -0.01658696
-12.23654109 -3.11004766 -9.45245671
-0.00060941 0.00023141 -0.00094919
-0.01276629 -0.02807782 -0.00332822
-12.07573100 -0.56008055 -10.91662044
0.00035402 0.00045377 -0.00069810
-0.00584541 -0.00027573 -0.01329643
-38.96716215 2.41342029 1.38702369
0.00015923 0.00035492 -0.00011329
0.00979674 -0.00404241 -0.01125260
-37.83625267 3.84026636 -0.83486700
0.00021531 0.00076720 -0.00059165
-0.00453080 0.02890942 -0.02447398
-10.84621587 -5.41655205 3.22177883
-0.00019687 -0.00011399 0.00004467
0.02551436 -0.04230227 -0.02307296
-10.57197966 -2.89253773 4.34046415
0.00019340 -0.00001291 0.00098306
0.00687831 0.01825233 0.00370024
4.09796083 -2.38361943 8.44494510
-0.00032269 0.00039808 0.00014333
0.00456037 0.03471526 -0.00982175
3.62038305 -4.22100959 10.49833450
0.00012027 -0.00039772 -0.00068106
0.00160193 -0.00084036 0.01464443
-34.51411640 -1.01394490 0.22888115
-0.00050869 0.00072124 0.00038208
0.00278769 -0.00133652 0.00138827
-33.25606243 1.43208539 0.25706976
-0.00075163 -0.00012280 -0.00106211
-0.01256356 0.04198528 0.00531694
13.22399996 13.13699250 -15.04466372
-0.00049380 0.00032428 0.00099056
0.03277073 -0.01897453 0.03644697
15.99070579 12.46067416 -14.23430812
0.00105112 -0.00055803 -0.00092736
-0.00670422 -0.00298819 0.00571999
-8.02334762 7.64044924 1.75638831
0.00077261 0.00002718 -0.00058235
-0.00050126 -0.01174378 0.00134831
-7.36700830 4.83538580 1.45793102
0.00013543 -0.00100403 -0.00077727
0.00244015 -0.00688849 -0.00616226
6.28552560 12.36976489 -7.70490592
-0.00007032 -0.00032476 -0.00039880
-0.01514977 0.00198145 -0.01750751
8.59421170 13.37106651 -6.26740081
-0.00060600 0.00015242 0.00046100
0.01618095 0.01871956 -0.00655726
8.90370541 8.28664857 -20.01436760
0.00033741 -0.00093592 0.00007296
-0.00820931 -0.00568779 -0.00195725
10.55842245 10.40023897 -19.14634109
0.00040170 0.00002133 0.00066117
0.01916313 0.02109320 0.00076234
24.26972498 15.82662811 -2.81729858
0.00032356 0.00036123 -0.00014205
-0.01233700 0.01641777 0.00465153
24.16126485 18.77168381 -3.04904107
0.00089639 -0.00022897 -0.00007328
0.01228678 -0.00388882 0.00778516
1.53319462 16.85154186 -21.49567024
-0.00015149 -0.00057102 -0.00090915
0.01157831 0.00285602 0.02830413
3.35035842 15.61244256 -19.44591068
0.00011240 -0.00087625 -0.00006621
0.00414046 -0.00397396 0.00017272
13.13289578 -1.90909199 -7.06753558
0.00106173 -0.00026716 -0.00012286
0.00659815 0.00410490 -0.00538053
12.78195591 -1.07764300 -4.48139092
-0.00096684 -0.00001850 -0.00032406
0.00306577 0.00778347 0.01286050
-17.81765806 -1.89455487 3.28482678
-0.00025442 -0.00065487 0.00093748
-0.04268625 -0.02353224 -0.00271259
-15.08418908 -2.92077870 2.95566665
-0.00047151 -0.00030874 0.00096522
-0.00166371 -0.00389815 0.00467357
-16.09044852 -0.62808916 19.36073886
0.00166332 -0.00044426 -0.00097221
0.00074349 0.01389317 0.00546256
-14.82922748 -3.15201426 19.75390349
0.00058510 -0.00024956 -0.00020518
0.02048261 -0.02177427 0.01314776
-0.19036741 0.41355367 -5.05906781
0.00003053 0.00046080 -0.00007459
-0.01184783 0.01652552 0.00385220
-0.82621850 3.46548854 -5.11808360
0.00028702 0.00079281 -0.00016546
0.00568458 -0.01914998 0.00723377
23.89216854 -8.45330021 -9.20046024
0.00039420 -0.00019006 0.00002670
-0.00037044 -0.02752601 -0.00372557
23.89303599 -5.83451303 -8.16831880
-0.00043879 0.00057472 0.00040737
-0.00542277 0.01121749 -0.00070027
-0.54410576 -6.19049076 5.47879143
-0.00029442 0.00045327 -0.00011477
0.00948020 0.00194241 0.01112225
0.87011293 -6.13284599 8.10543697
0.00039123 0.00111549 -0.00080241
-0.00410271 0.00448216 -0.01058331
-0.18727958 -2.37688200 -19.54678755
-0.00034407 0.00003286 -0.00001003
-0.02807006 0.00805689 0.00429072
-3.00834810 -2.21725547 -20.49043618
0.00027061 -0.00097880 -0.00088853
0.00983913 0.00017286 -0.00187643
2.88355427 3.10518855 -10.22976746
-0.00000362 -0.00051450 -0.00037298
-0.00206143 0.00704987 -0.02246012
1.83342325 1.88453829 -7.77260038
0.00006658 0.00072153 0.00036275
0.02916747 -0.00459812 -0.01832545
-2.08200528 16.56550790 12.41559841
-0.00075115 0.00059101 0.00005509
-0.00345420 -0.00024646 -0.00815014
-3.20115230 18.62171401 13.97057472
0.00127220 0.00080988 -0.00005368
-0.00608596 0.00094168 -0.01156887
-5.58043212 6.23109461 -11.28019962
0.00006668 -0.00010297 -0.00130747
0.03262478 -0.03389689 -0.01431829
-3.87258868 3.65832695 -12.38507300
0.00063798 0.00102593 0.00040681
-0.00962990 0.02878438 0.01279165
-7.90936377 1.23417103 -7.81120322
-0.00071950 -0.00075742 -0.00000853
-0.00508410 -0.00268714 0.01272261
-6.01373920 2.97286566 -9.17862733
-0.00036665 -0.00046305 0.00078543
-0.04252419 0.00068616 0.00435404
2.93867329 27.35138297 7.21446418
-0.00042801 -0.00080453 -0.00052349
-0.00833534 0.00523504 0.00949143
1.37635050 28.96329271 9.07948889
0.00052671 -0.00001407 -0.00011948
-0.00154884 -0.00203505 -0.00087106
10.53089435 -6.97592918 -0.43424167
-0.00062549 0.00094121 0.00005212
-0.01342922 0.00135105 -0.01326555
8.25211454 -7.60559198 -2.28194645
-0.00017340 -0.00003980 0.00082964
0.00688118 0.00673390 0.00644594
-7.16464938 -0.04063416 7.10622825
-0.00060313 -0.00034745 0.00094063
-0.01974686 0.01153152 -0.00735320
-10.15217873 0.59087219 7.15400219
0.00004865 -0.00024195 0.00035968
-0.03031155 -0.01450578 0.02675564
20.93079226 11.21603386 10.46388757
-0.00053025 0.00039775 0.00026197
0.00299086 -0.00237876 -0.00241672
20.40479828 12.73127436 7.99531094
0.00054255 -0.00031415 -0.00048988
0.01277834 -0.02407391 0.01374617
-0.99100357 -3.44952409 -26.78210740
-0.00040988 -0.00123677 -0.00125048
0.01694078 -0.03608985 0.02097701
-3.35152892 -1.83179716 -26.43744425
-0.00041430 0.00058023 0.00020385
0.01045717 -0.00685065 -0.01252617
-13.46901860 6.81966194 9.65503564
-0.00015219 -0.00046224 0.00085322
-0.00742812 0.00553641 0.00364583
-15.20280913 7.47967088 7.37298209
0.00045303 0.00064328 0.00069549
0.00774243 -0.00380007 0.01214116
-11.52040968 7.59148072 -1.89177845
-0.00066240 -0.00094921 0.00057749
0.00740123 -0.00071533 -0.01440767
-8.91537113 8.06601977 -3.40888928
-0.00059558 -0.00025847 0.00083218
-0.00801086 0.00813627 -0.00186970
-0.89132992 -16.64714889 22.39991955
0.00048091 0.00017328 -0.00046921
-0.02267635 0.01738046 0.01701282
-3.53975897 -15.47312140 23.68551896
0.00129391 0.00059738 -0.00019458
0.04309566 -0.00025638 -0.01544588
-2.94053715 6.08466086 -7.92025564
-0.00063031 -0.00083731 -0.00002449
-0.00770030 0.00064805 0.01276979
-4.44967262 6.58349220 -5.28300967
-0.00044855 0.00021446 0.00111724
0.01987243 -0.00033294 -0.01927461
-21.86616779 29.78481312 2.94962698
0.00049464 -0.00015123 -0.00021711
0.01738106 0.00056729 0.01459899
-21.33476635 31.00950087 5.51823692
0.00073823 -0.00020715 -0.00068683
-0.00152669 0.00311673 0.00599418
7.13339552 -0.22677257 5.88530337
0.00062702 0.00044670 0.00037561
-0.00076096 0.03062112 0.01905301
7.12300785 2.32779257 7.99229683
-0.00055692 0.00027456 -0.00012649
-0.00173676 -0.01158239 -0.01971813
6.91872970 12.60884881 -12.87686532
0.00016115 -0.00045516 0.00024602
-0.00310250 -0.01931243 -0.00694167
5.16442495 11.88743490 -14.84211227
0.00024690 0.00024625 -0.00060075
-0.02980611 0.01754754 -0.05306212
14.24881423 3.95845572 -2.01120951
0.00022918 0.00018244 0.00054191
-0.00591049 0.01004260 -0.00975511
14.79218387 1.30670799 -1.24896469
-0.00026819 -0.00022151 0.00089999
-0.00445061 -0.01941009 0.00096559
-3.00393005 12.09605551 -0.16357017
0.00003343 -0.00091132 -0.00031190
0.00258579 -0.00152836 0.00005784
-5.70642839 12.89921165 0.54686712
-0.00073470 -0.00005076 -0.00087211
-0.00939895 -0.00214015 0.00788141
3.24303550 11.62938412 2.38247418
0.00112056 0.00046264 -0.00053681
-0.00462649 -0.01386927 0.00842678
6.19856759 11.38724392 3.05711209
0.00001031 0.00028978 -0.00028775
-0.02063947 0.01972173 -0.01440956
25.23154792 -12.80835568 -8.56365544
0.00024795 -0.00031716 -0.00100068
0.00054464 0.01140641 -0.01339898
26.18485232 -11.48514071 -11.40038921
-0.00139547 -0.00060746 0.00051741
-0.01428420 -0.00983594 0.02901888
15.88955189 -2.82331015 0.52481685
0.00061465 -0.00015577 -0.00009680
-0.02680760 0.00678186 0.01832544
16.87271079 -5.19638333 -0.73766106
-0.00031198 0.00040581 0.00010427
0.00068464 -0.03813681 0.00137487
12.09682733 8.13903889 11.52137368
0.00111613 -0.00006771 -0.00022519
0.02414120 -0.01127325 -0.00597513
13.61159896 9.44678390 9.48228848
0.00133453 -0.00042047 -0.00060469
0.01066662 -0.00029180 -0.00122509
0.03005590 -14.66306072 17.28690657
0.00009257 -0.00017365 -0.00057471
0.01475669 0.01293781 0.00483317
1.88997307 -12.78078475 18.78918206
0.00087522 -0.00021736 0.00016477
-0.00697201 0.02153638 0.01641047
-3.71356978 -1.68240040 -12.59109784
0.00061595 0.00040443 0.00117548
-0.00159337 0.00429973 -0.00252900
-2.70584702 -1.82449837 -15.19226639
0.00027467 0.00061219 0.00143490
0.00725184 -0.00286942 -0.01785970
14.73135501 -7.98380579 -10.58599021
-0.00046529 0.00024041 0.00049012
-0.01087860 -0.01223733 -0.01389212
16.42098410 -6.20375951 -9.05392983
-0.00031487 -0.00080117 -0.00027777
-0.02018957 -0.02004980 0.00710719
7.09640974 -5.67006731 8.65664667
-0.00011547 0.00095282 0.00090428
-0.00623452 0.01219668 -0.00617971
9.85668772 -6.57154096 7.96892081
0.00096632 0.00004187 -0.00008877
-0.00601931 0.00663706 -0.00450378
-21.01755506 2.13093273 20.99824954
0.00089054 0.00001185 -0.00007676
-0.00944549 0.00028880 0.02988201
-22.33040021 1.32334045 23.64852519
0.00009036 -0.00068706 -0.00096180
-0.01574611 -0.01492145 0.00074997
26.95666405 -2.82547869 -6.87286995
0.00063722 0.00030293 -0.00028567
-0.00097303 -0.00469299 -0.00332869
25.56429322 -1.34347685 -8.98048138
0.00060446 0.00021521 -0.00016045
-0.00129530 -0.01655636 0.00672378
10.00978483 -15.65278968 -7.80727553
-0.00019716 -0.00027366 0.00058378
-0.00377498 0.02589844 -0.00927587
9.23891550 -12.79482762 -7.28177840
-0.00070289 -0.00001463 -0.00079866
-0.00310560 -0.00040129 -0.00346601
-5.79087032 -11.33624774 18.25924742
0.00063034 0.00028841 0.00085144
0.00355576 0.00672649 0.00745799
-6.73834023 -11.13039879 15.54317475
0.00007232 0.00018680 -0.00002286
-0.00200265 -0.00051519 -0.00057945
8.84304306 1.56705379 -29.50134919
0.00110784 0.00029278 -0.00001772
-0.01547023 0.00129127 -0.00529716
5.89785451 2.30887983 -30.26018373
0.00002035 -0.00092898 -0.00021573
0.01880643 -0.00550236 0.00783962
12.76947904 15.13469993 14.64318574
0.00068301 0.00064851 -0.00005766
-0.03263580 0.01485984 0.00338619
11.51472357 16.20886313 17.05447140
0.00051847 0.00046227 0.00038307
0.00427554 0.01365396 0.05095060
29.02263967 5.23855661 -4.93915973
-0.00038394 0.00034158 -0.00044919
0.01019410 -0.00059997 0.01270386
27.10234484 6.99484562 -3.86106954
0.00053954 0.00015623 -0.00004410
0.00708374 0.00029942 0.00857781
-9.95322292 5.06698712 6.43833478
0.00001325 0.00029091 -0.00018200
0.00286600 0.00214202 0.00520529
-8.86350913 13.37481050 2.61068306
-0.00013595 0.00001668 0.00004511
-0.00013632 -0.00313057 0.00479713
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09369067
0.30650479
408.40226284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3736193040 (a.u.)
total exchange computation time: 2.6860291958 s
-154.0879812293
-931.40533171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3730163117 (a.u.)
total exchange computation time: 2.6833300591 s
-154.0935118474
Anderson extrapolation: theta=1.4288255201 (1.4288255201)
-931.40556101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3720128642 (a.u.)
total exchange computation time: 2.6832280159 s
-154.1023346745
Anderson extrapolation: theta=0.0834940107 (0.0834940107)
-931.40571631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3718234280 (a.u.)
total exchange computation time: 2.6815018654 s
-154.1037739212
Anderson extrapolation: theta=2.5420953826 (2.0000000000)
-931.40572857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3714182575 (a.u.)
total exchange computation time: 2.6857800484 s
-154.1067117965
Anderson extrapolation: theta=0.5247165486 (0.5247165486)
-931.40574673
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3712205562 (a.u.)
total exchange computation time: 2.6835529804 s
-154.1080150545
Anderson extrapolation: theta=0.7127024524 (0.7127024524)
-931.40575312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3711150206 (a.u.)
total exchange computation time: 2.6849539280 s
-154.1085861011
Anderson extrapolation: theta=0.6761880946 (0.6761880946)
-931.40575668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3710811111 (a.u.)
total exchange computation time: 2.6837711334 s
-154.1086385336
Anderson extrapolation: theta=0.5842971228 (0.5842971228)
-931.40575850
-118.401959 69.094793 97.175194
560.545572 1031.722652 -409.247323
442.143613 1100.817446 -312.072129
1226.653593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3710904386 (a.u.)
total exchange computation time: 2.6838269234 s
679.00693206
-1083.70818239
89.70197319
-389.18234269
-174.85304909
78.23867228
551.60419304
0.00000000
-931.40575935
4.06195732 -31.49721924 -2.23155666
-0.00002835 -0.00042796 -0.00012445
0.01077848 -0.00597754 -0.00264081
-11.65052955 -1.43621651 -9.40967559
-0.00030335 0.00016017 -0.00011530
0.00998398 0.02303653 0.00979923
-37.53141489 2.44301924 0.21903403
-0.00000726 0.00008069 -0.00000108
-0.00238798 -0.01020573 0.01795821
-11.77058185 -4.20865876 4.08161011
-0.00012100 0.00005008 0.00020771
-0.03293284 0.02923828 0.02526329
3.97972063 -4.12629652 8.71366146
-0.00025051 -0.00029167 -0.00041705
-0.00038756 -0.02821429 -0.00365732
-32.86318643 -0.26496463 0.12660984
-0.00061364 0.00011544 0.00047128
0.01278341 -0.04070427 -0.00785738
14.28298865 12.49083044 -13.51392284
-0.00025700 0.00016588 0.00000313
-0.00920433 0.02413163 -0.05370628
-7.75003161 6.09331998 2.72855595
-0.00000680 0.00015529 0.00030914
0.00445049 0.01112569 -0.00276151
7.24234322 12.14117196 -6.22258892
-0.00006150 -0.00024422 -0.00034875
0.00526981 -0.01803121 0.01991993
8.83955658 9.87150277 -19.14689835
0.00007334 -0.00024887 -0.00015313
-0.01143767 -0.02294016 0.00092831
23.18108149 17.35598616 -2.43454856
0.00003884 -0.00000171 -0.00027998
0.01854625 -0.02195053 -0.00886020
2.05863981 16.89823339 -19.63908569
-0.00020066 0.00032072 0.00016633
-0.01551162 0.00215814 -0.02892328
14.02520162 -0.90621320 -5.79661572
0.00006635 -0.00010576 0.00005323
-0.00907906 -0.02860006 0.00969696
-16.13675587 -1.44534911 3.20367133
-0.00012070 -0.00013731 -0.00004463
0.04105877 0.01645734 0.00712373
-16.04338445 -2.33208526 18.75863281
0.00027871 -0.00017309 -0.00010958
-0.02359805 0.00380686 -0.02141544
0.43979510 2.13966863 -4.63284890
-0.00007650 -0.00000913 0.00016837
-0.00047847 0.00941103 -0.01504047
22.73872832 -7.10682109 -8.81260720
0.00000033 -0.00003874 -0.00001036
0.00378361 0.01248704 0.00515362
-0.76600933 -6.40869526 7.30198616
-0.00013652 -0.00021600 0.00000952
-0.00529246 -0.00015730 -0.00921321
-1.80256561 -1.41462151 -19.34274409
-0.00000433 0.00000067 0.00009545
0.01778267 -0.01509513 -0.00674278
3.10783746 1.60658497 -9.22569774
-0.00021897 -0.00007286 0.00013142
-0.03302022 0.01353713 0.03499524
-3.55092931 17.72484806 12.34927748
0.00041417 -0.00006961 0.00011245
0.00173195 0.01103946 0.02307569
-3.90420848 5.19066527 -11.28623769
-0.00014777 0.00017535 -0.00024214
-0.02028120 0.01353277 0.00320508
-7.88615114 2.71148143 -8.86959190
0.00015537 0.00004538 -0.00006766
0.03918661 0.01615743 -0.02007210
2.51663238 27.54388691 9.00710554
0.00009670 0.00008816 0.00049892
0.00632404 -0.00837354 -0.00870883
9.37573803 -6.26382058 -1.72275128
-0.00026124 -0.00009718 0.00017435
0.00591979 -0.00204856 0.01047019
-8.66739144 0.71085537 6.22423754
0.00008316 -0.00009863 0.00014432
0.04743169 -0.00269147 -0.01612046
20.53598628 10.95284828 8.69739477
0.00008857 0.00022181 -0.00016701
-0.01063805 0.02099688 -0.01096148
-1.95250377 -2.22851285 -27.62193622
0.00008803 -0.00004884 -0.00010216
-0.04503053 0.03999009 -0.00790158
-14.12859925 6.16011240 8.09848266
0.00033224 -0.00006246 0.00022479
0.00295136 -0.00123826 -0.01184944
-9.72714908 7.22298893 -1.97377677
-0.00021196 0.00000444 0.00037705
-0.00629253 -0.00775761 0.01170023
-1.78090544 -15.05829563 23.02517295
-0.00024078 0.00026220 -0.00049151
-0.01482242 -0.02179781 -0.00547417
-2.77540951 6.26251248 -6.06185851
-0.00002177 -0.00019520 0.00011875
-0.01015757 -0.00735419 0.00190018
-20.45672200 30.07846538 4.22700520
-0.00053979 -0.00050111 0.00019678
-0.00639596 0.00041595 -0.01917309
7.78182352 0.68276491 7.46932369
0.00020454 0.00042866 -0.00015987
0.00870665 -0.01184457 0.00544166
5.80377906 11.11832205 -13.42543036
0.00017164 -0.00059796 0.00005261
0.03661883 0.00685065 0.03344043
15.63228828 2.85218324 -1.60784155
0.00013221 0.00031101 0.00031337
0.00778146 0.00714482 0.01002909
-4.45483164 12.99241270 -0.77350080
0.00001704 -0.00039263 0.00007483
0.01180199 0.00091959 -0.01734008
4.77696121 12.58805935 2.47355773
-0.00010778 0.00012522 -0.00029399
0.03466337 -0.00737436 0.02166451
25.02788860 -11.44015289 -9.79864255
-0.00016099 0.00018068 0.00027777
0.00646268 -0.00210458 -0.00346947
16.92835197 -3.42526003 -0.77435732
0.00036436 0.00038171 -0.00008601
0.02456430 0.02806983 -0.02053983
13.52607127 7.77752646 10.27743488
0.00026842 -0.00032472 0.00009560
-0.01771792 0.00538862 0.00051043
1.79570435 -14.01991358 17.52065718
0.00027021 0.00011393 -0.00003692
-0.00693066 -0.02830464 -0.02482051
-3.64557924 -0.69641465 -14.15742799
0.00021692 -0.00007780 -0.00001683
-0.01894770 0.00294223 0.03533784
14.97953532 -7.59355615 -8.83843227
0.00017051 -0.00020052 -0.00009238
0.04211203 0.02071034 0.00810427
8.38617957 -6.90589120 8.98315494
0.00003957 0.00032517 0.00013008
0.01336975 -0.00979350 0.00923048
-21.11181975 2.41593163 22.88955167
0.00003225 0.00028487 0.00013058
0.02146451 0.02026116 -0.03687555
25.74320612 -3.07664667 -8.24467626
0.00011138 0.00013417 -0.00007866
0.01047906 0.01298721 0.00329053
9.93633078 -13.92760276 -8.56875927
0.00007073 -0.00001238 -0.00040332
-0.00178532 -0.03374459 0.01395565
-6.67631222 -12.26980408 16.97425910
0.00007694 0.00028868 -0.00007469
0.00028837 -0.00043382 0.00431509
7.46263193 2.78107897 -29.32897979
-0.00047071 -0.00046551 -0.00004261
0.00895853 0.00368872 0.00068007
10.99780414 15.78526400 15.45004832
-0.00034719 0.00032997 0.00009055
0.01463582 -0.02375289 -0.04790398
28.83211128 6.39910237 -3.47428816
0.00013087 0.00026189 0.00000486
-0.01104543 -0.00579872 -0.01626707
5.23918762 -32.16282830 -3.52721896
-0.00046041 -0.00038137 -0.00044555
-0.00874580 0.00800619 0.00507915
4.84961168 -31.71421103 -0.51510675
-0.00026339 -0.00074366 0.00004993
-0.01015833 0.00474557 -0.01785859
-12.24607349 -3.10743692 -9.46679648
-0.00066066 0.00011860 -0.00096239
-0.01232103 -0.02714312 -0.00313587
-12.07059986 -0.55328242 -10.92749931
0.00033223 0.00044897 -0.00074518
-0.00482017 -0.00207454 -0.00975354
-38.96447357 2.41862018 1.38497959
0.00019642 0.00033835 -0.00015729
0.00840934 -0.00406770 -0.01028776
-37.83316185 3.85266016 -0.84449169
0.00019918 0.00087222 -0.00068165
-0.00336528 0.02250336 -0.01958050
-10.84838708 -5.41955812 3.22174185
-0.00009479 -0.00028281 -0.00004696
0.02445691 -0.04033903 -0.02178192
-10.56886792 -2.89217213 4.35532347
0.00021828 0.00005714 0.00099689
0.00530240 0.01603961 0.00306890
4.09326020 -2.37658447 8.44679402
-0.00030479 0.00052761 0.00010476
0.00420122 0.02869359 -0.00905527
3.62223626 -4.22700120 10.48856741
0.00012534 -0.00040215 -0.00061593
0.00087930 -0.00132534 0.01723617
-34.52166135 -1.00316722 0.23465493
-0.00050257 0.00071218 0.00038857
0.00020717 -0.00310010 0.00178861
-33.26772188 1.43152999 0.24130102
-0.00080334 0.00005406 -0.00104093
-0.01274633 0.04458878 0.00505242
13.21759715 13.14127530 -15.02868851
-0.00036188 0.00024822 0.00113416
0.03180382 -0.01825818 0.03384891
16.00626714 12.45221211 -14.24804321
0.00100326 -0.00056885 -0.00089603
-0.01672199 -0.00230517 0.00961592
-8.01177382 7.64049701 1.74769442
0.00077040 -0.00002299 -0.00057443
-0.00057858 -0.01281083 0.00252912
-7.36490208 4.82011421 1.44608314
0.00014129 -0.00101637 -0.00078574
0.00042666 0.00085101 0.00201402
6.28400661 12.36495415 -7.71142443
-0.00013109 -0.00031623 -0.00046918
-0.01459759 0.00219490 -0.01694109
8.58561761 13.37392645 -6.26068677
-0.00053893 0.00022973 0.00043355
0.01664867 0.01912222 -0.00687992
8.90851507 8.27243549 -20.01333322
0.00030463 -0.00095119 0.00006919
-0.00783878 -0.00178792 0.00011220
10.56503511 10.40120533 -19.13640014
0.00047314 0.00010444 0.00066367
0.01581114 0.01958946 0.00045777
24.27420039 15.83254960 -2.81928680
0.00027315 0.00042550 -0.00012323
-0.01234148 0.01504529 0.00456298
24.17508715 18.76813004 -3.04990168
0.00094349 -0.00024582 -0.00004039
0.01076923 -0.00435643 0.00831301
1.53127709 16.84306404 -21.50844014
-0.00010270 -0.00055722 -0.00078666
0.01230545 0.00390080 0.03165656
3.35217125 15.59917704 -19.44689857
0.00011896 -0.00088161 -0.00006631
-0.00092914 0.00134863 -0.00022025
13.14902387 -1.91297367 -7.06954331
0.00108637 -0.00025326 -0.00014683
0.00546695 0.00270029 -0.00635602
12.76754718 -1.07768205 -4.48585769
-0.00094986 0.00001380 -0.00027698
0.00525021 0.00802944 0.01018401
-17.82278233 -1.90509905 3.29880592
-0.00042121 -0.00074858 0.00092651
-0.03895905 -0.02234025 -0.00265781
-15.09131269 -2.92552924 2.97028810
-0.00047594 -0.00032660 0.00098362
-0.00050555 -0.00484313 0.00433617
-16.06547590 -0.63432730 19.34632310
0.00166536 -0.00037850 -0.00094741
0.00025411 0.01829538 0.00667653
-14.81982336 -3.15642494 19.75122872
0.00066559 -0.00033727 -0.00015424
0.01891850 -0.02115652 0.01178593
-0.19027246 0.42097205 -5.06006862
-0.00001934 0.00052361 -0.00005981
-0.01256643 0.01422147 0.00338340
-0.82173899 3.47679386 -5.12034379
0.00031210 0.00071124 -0.00013467
0.00658915 -0.02077921 0.00783787
23.89807020 -8.45699464 -9.20017397
0.00038921 -0.00029623 0.00001367
-0.00207475 -0.02444276 -0.00264906
23.88628793 -5.82554851 -8.16222965
-0.00046280 0.00061596 0.00040225
-0.00632766 0.00897127 -0.00180846
-0.54823157 -6.18363215 5.47741069
-0.00025726 0.00046065 -0.00006769
0.00871193 0.00167003 0.01192323
0.87585571 -6.11597623 8.09307646
0.00037036 0.00113255 -0.00084594
-0.00611356 0.00386685 -0.01072179
-0.19330075 -2.37614225 -19.54680652
-0.00045377 0.00006414 0.00000797
-0.02562916 0.00725709 0.00451870
-3.00398743 -2.23193222 -20.50382170
0.00031693 -0.00097193 -0.00088855
0.01283330 0.00319098 0.00187117
2.88343679 3.09768715 -10.23605048
-0.00001223 -0.00048453 -0.00046517
-0.00215482 0.00761997 -0.02266601
1.83531579 1.89522041 -7.76772072
0.00018566 0.00070161 0.00028756
0.02911982 -0.00515487 -0.01848037
-2.09337833 16.57436555 12.41617495
-0.00075260 0.00057939 0.00002130
0.00274278 -0.00544225 -0.00838768
-3.18225575 18.63389106 13.96941502
0.00124522 0.00081112 -0.00010410
-0.00711984 -0.00033553 -0.01311302
-5.57843225 6.22851133 -11.30025046
0.00019739 -0.00023951 -0.00136402
0.03135994 -0.03294125 -0.01336298
-3.86331413 3.67459795 -12.37857895
0.00059866 0.00113165 0.00045046
-0.00961709 0.02296529 0.00857661
-7.92031208 1.22272735 -7.81094133
-0.00073973 -0.00075916 0.00003733
-0.00481818 0.00183439 0.00972632
-6.02054195 2.96594092 -9.16671238
-0.00053199 -0.00045883 0.00080130
-0.03841473 0.00138219 0.00341074
2.93199771 27.33947544 7.20690267
-0.00046469 -0.00078153 -0.00047164
-0.00961911 0.00602373 0.01589111
1.38420363 28.96301937 9.07766992
0.00051613 -0.00001755 -0.00012246
-0.00362769 0.00032859 -0.00058760
10.52110050 -6.96176967 -0.43386638
-0.00067453 0.00094265 0.00000446
-0.01057836 -0.00064632 -0.01006380
8.24972444 -7.60598266 -2.26930433
-0.00014809 -0.00001568 0.00085454
0.00550555 0.00507499 0.00574080
-7.17430141 -0.04549257 7.12011236
-0.00068160 -0.00030024 0.00090938
-0.01866437 0.01157843 -0.00794215
-10.15237785 0.58679837 7.16021727
-0.00007230 -0.00029985 0.00046568
-0.02889182 -0.01383317 0.02513363
20.92293019 11.22192723 10.46774310
-0.00051920 0.00038773 0.00024727
0.00241528 -0.00252706 -0.00478242
20.41332813 12.72582443 7.98838395
0.00059431 -0.00040754 -0.00043478
0.01255623 -0.02164175 0.01322656
-0.99663271 -3.46918154 -26.80022173
-0.00034220 -0.00138241 -0.00116442
0.01618845 -0.03520286 0.02114906
-3.35742305 -1.82330366 -26.43477036
-0.00036399 0.00054873 0.00014776
0.01417258 -0.00856770 -0.01493037
-13.47152905 6.81289793 9.66794566
-0.00018317 -0.00044125 0.00086544
-0.00773798 0.00473896 0.00233342
-15.19577638 7.48920360 7.38378647
0.00048610 0.00062531 0.00074575
0.00844616 -0.00499574 0.01245999
-11.53011895 7.57722069 -1.88355754
-0.00062809 -0.00095212 0.00051779
0.00939402 -0.00070968 -0.01481848
-8.92455027 8.06239204 -3.39646392
-0.00062525 -0.00022098 0.00081731
-0.00651607 0.01021339 -0.00540690
-0.88481107 -16.64401705 22.39340278
0.00038574 0.00024678 -0.00039826
-0.02390998 0.01859532 0.01771523
-3.51902967 -15.46416859 23.68212698
0.00145465 0.00059205 -0.00025270
0.03558393 -0.00235376 -0.01300282
-2.95022781 6.07212106 -7.92023170
-0.00066189 -0.00083376 0.00003021
-0.00775453 0.00108917 0.01400652
-4.45579185 6.58669895 -5.26684177
-0.00035835 0.00021133 0.00103327
0.02427976 -0.00120289 -0.02182906
-21.85821561 29.78256201 2.94681774
0.00056104 -0.00014918 -0.00015942
0.01512487 0.00043648 0.01363950
-21.32373961 31.00648907 5.50811809
0.00072278 -0.00018574 -0.00065058
-0.00603856 0.00736751 0.01175262
7.14277756 -0.21913368 5.89152139
0.00062151 0.00056899 0.00044858
-0.00194016 0.02924071 0.01666657
7.11460089 2.33155604 7.98979520
-0.00056277 0.00022601 -0.00020738
-0.00112998 -0.01218050 -0.01987543
6.92105187 12.60142968 -12.87338771
0.00014721 -0.00053529 0.00021734
-0.00372172 -0.01991597 -0.00710017
5.16721511 11.89166628 -14.85274948
0.00013365 0.00030905 -0.00079973
-0.02562917 0.01319814 -0.04433838
14.25207085 3.96150006 -2.00337974
0.00020246 0.00022519 0.00050103
-0.00716863 0.01088383 -0.01025865
14.78802465 1.30279050 -1.23543522
-0.00028018 -0.00028879 0.00090121
-0.00141814 -0.01352418 -0.00036752
-3.00334937 12.08233893 -0.16824694
0.00004062 -0.00091644 -0.00031101
0.00093558 -0.00098156 0.00037761
-5.71773697 12.89838459 0.53402700
-0.00077343 -0.00006069 -0.00083702
-0.00955898 -0.00271673 0.00929375
3.25970212 11.63589866 2.37468027
0.00108398 0.00039581 -0.00050345
-0.01327676 -0.01884238 0.00790241
6.19808971 11.39219490 3.05235429
-0.00007260 0.00036970 -0.00034619
-0.01994551 0.01940079 -0.01419637
25.23528388 -12.81276352 -8.57907625
0.00024981 -0.00027498 -0.00104996
0.00036550 0.00924156 -0.01072519
26.16348255 -11.49455397 -11.39173880
-0.00145007 -0.00064628 0.00063091
-0.01244015 -0.00916638 0.02653688
15.89795014 -2.82543886 0.52392643
0.00050193 -0.00012479 -0.00001761
-0.02836876 0.00838163 0.02043860
16.86805204 -5.19146474 -0.73605490
-0.00030851 0.00025103 0.00010873
0.00101582 -0.03763289 0.00080776
12.11430908 8.13767784 11.51781279
0.00120853 -0.00011189 -0.00024535
0.02108918 -0.01035498 -0.00389494
13.63194380 9.44046795 9.47318053
0.00137607 -0.00042479 -0.00060697
0.00966578 -0.00182458 0.00011217
0.03189668 -14.66526897 17.27843402
0.00015571 -0.00011854 -0.00055330
0.01614707 0.01403616 0.00564499
1.90288769 -12.78338523 18.79215641
0.00084548 -0.00012944 0.00023201
-0.00758639 0.02150047 0.01650405
-3.70437929 -1.67620215 -12.57354309
0.00060955 0.00042698 0.00115577
-0.00154243 0.00673883 -0.00712042
-2.70150476 -1.81540350 -15.17129019
0.00031559 0.00058657 0.00134931
0.01277909 -0.00966860 -0.02403428
14.72404229 -7.98057459 -10.57906418
-0.00051138 0.00018794 0.00042437
-0.01167995 -0.01344919 -0.01829047
16.41564235 -6.21639142 -9.05787863
-0.00039393 -0.00087944 -0.00024767
-0.01850820 -0.01826606 0.00762670
7.09448661 -5.65540124 8.67002154
-0.00013557 0.00099836 0.00087875
-0.00360389 0.01009526 -0.00631630
9.87099804 -6.57070952 7.96745119
0.00093049 0.00006785 -0.00010060
-0.01151654 0.00607930 -0.00128467
-21.00448646 2.13111932 20.99801390
0.00085192 0.00001415 0.00004771
-0.00945625 0.00083666 0.03104253
-22.32952733 1.31257733 23.63412117
0.00002740 -0.00074659 -0.00095844
-0.01507219 -0.01422180 0.00089561
26.96619256 -2.82107848 -6.87725698
0.00063108 0.00028268 -0.00030100
-0.00203250 -0.00522136 -0.00417776
25.57332036 -1.34075604 -8.98268209
0.00059805 0.00014739 -0.00013299
-0.00183982 -0.01663999 0.00671690
10.00671183 -15.65610093 -7.79880311
-0.00021230 -0.00016132 0.00054181
-0.00364050 0.02908967 -0.01126954
9.22827704 -12.79505937 -7.29386450
-0.00071519 -0.00001568 -0.00081275
-0.00291899 -0.00011174 -0.00343033
-5.78130627 -11.33171553 18.27224760
0.00063768 0.00030941 0.00087073
0.00003639 0.00355284 0.00198099
-6.73731675 -11.12761253 15.54281407
0.00006477 0.00018602 -0.00002547
-0.00169431 0.00013039 -0.00069916
8.85918655 1.57148509 -29.50177735
0.00103658 0.00030346 -0.00003922
-0.01941150 0.00393809 -0.00522788
5.89873600 2.29477654 -30.26317951
0.00009504 -0.00095214 -0.00018537
0.01775711 -0.00583728 0.00702620
12.77872413 15.14488289 14.64242461
0.00054538 0.00070921 -0.00004285
-0.03473445 0.01485558 0.00386064
11.52263157 16.21621563 17.06177880
0.00053172 0.00051465 0.00057875
0.00221416 0.01198253 0.04483306
29.01719300 5.24366198 -4.94550823
-0.00034159 0.00034015 -0.00039496
0.01053502 -0.00010282 0.01384164
27.11065499 6.99719820 -3.86146820
0.00056287 0.00015999 -0.00000939
0.00433747 0.00154134 0.00841183
-9.95301641 5.07135648 6.43561869
0.00001427 0.00029163 -0.00018014
0.00279485 0.00191560 0.00522219
-8.86554859 13.37505518 2.61136806
-0.00013597 0.00001596 0.00004620
-0.00007178 -0.00301869 0.00461696
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09440661
0.31135274
414.86191136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3647282448 (a.u.)
total exchange computation time: 2.6879770756 s
-154.0619451138
-931.41018799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3643984716 (a.u.)
total exchange computation time: 2.6869368553 s
-154.0659612058
Anderson extrapolation: theta=1.3826598431 (1.3826598431)
-931.41039377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3638822526 (a.u.)
total exchange computation time: 2.6854820251 s
-154.0721764628
Anderson extrapolation: theta=0.0642751269 (0.0642751269)
-931.41052217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3638041527 (a.u.)
total exchange computation time: 2.6837968826 s
-154.0730996097
Anderson extrapolation: theta=2.2144783932 (2.0000000000)
-931.41052879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3636434239 (a.u.)
total exchange computation time: 2.6882150173 s
-154.0749710493
Anderson extrapolation: theta=0.3501077249 (0.3501077249)
-931.41053726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3635983972 (a.u.)
total exchange computation time: 2.6840121746 s
-154.0754880028
Anderson extrapolation: theta=1.2077561984 (1.2077561984)
-931.41053950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3635679666 (a.u.)
total exchange computation time: 2.6837680340 s
-154.0758486138
Anderson extrapolation: theta=0.4527604186 (0.4527604186)
-931.41054148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3635764556 (a.u.)
total exchange computation time: 2.6853702068 s
-154.0757714251
Anderson extrapolation: theta=0.9072529427 (0.9072529427)
-931.41054220
-118.423670 69.095722 97.190613
560.599589 1031.716381 -409.244848
442.175919 1100.812103 -312.054235
1226.655891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3635987977 (a.u.)
total exchange computation time: 2.6831829548 s
678.87900510
-1083.44486810
89.71446336
-389.36326053
-174.83228370
78.09142072
551.60419304
0.00000000
-931.41054266
4.06157365 -31.50366165 -2.23343360
-0.00002299 -0.00043099 -0.00012564
0.01006542 -0.00583581 -0.00198242
-11.65504126 -1.43372508 -9.41136725
-0.00029864 0.00017201 -0.00011126
0.00834066 0.02298360 0.00590576
-37.53153294 2.44419028 0.21908716
-0.00000833 0.00007723 0.00000644
-0.00180021 -0.00324923 0.01128647
-11.77252387 -4.20779478 4.08482315
-0.00013684 0.00006484 0.00022028
-0.02868278 0.02815494 0.02363241
3.97596145 -4.13078044 8.70739163
-0.00025053 -0.00030424 -0.00041966
0.00032328 -0.02066568 -0.00650455
-32.87234173 -0.26338998 0.13364869
-0.00060646 0.00009491 0.00046726
0.01513940 -0.03912752 -0.00777042
14.27909808 12.49341172 -13.51408303
-0.00025901 0.00017774 -0.00002441
0.00139123 0.02199152 -0.05338875
-7.75011645 6.09569222 2.73318244
-0.00000400 0.00015938 0.00030557
0.00645055 0.00477198 -0.01114448
7.24144104 12.13743907 -6.22774336
-0.00005904 -0.00025348 -0.00033879
0.00428948 -0.01795337 0.01883434
8.84061257 9.86768120 -19.14919174
0.00006832 -0.00026112 -0.00015309
-0.00807004 -0.02468371 -0.00075848
23.18173558 17.35587590 -2.43878244
0.00004864 -0.00001247 -0.00028468
0.01955662 -0.01991875 -0.00940251
2.05557007 16.90305253 -19.63670227
-0.00020750 0.00032025 0.00015060
-0.01109442 -0.00401040 -0.03224344
14.02616187 -0.90790997 -5.79577986
0.00006134 -0.00012021 0.00005910
-0.01040315 -0.02758965 0.01313855
-16.13840794 -1.44734528 3.20302937
-0.00010133 -0.00012904 -0.00004095
0.03424141 0.01571905 0.00719398
-16.03929489 -2.33466696 18.75690646
0.00026722 -0.00017242 -0.00012033
-0.02105319 -0.00120442 -0.02037264
0.43864569 2.13956796 -4.63038136
-0.00007669 -0.00000330 0.00016066
-0.00024767 0.01327167 -0.01496113
22.73874781 -7.10735409 -8.81274269
0.00000309 -0.00003262 -0.00000768
0.00694611 0.01133574 0.00526701
-0.76807756 -6.41193594 7.30209343
-0.00013853 -0.00021582 0.00000463
-0.00250610 0.00088645 -0.00980185
-1.80256190 -1.41466971 -19.34133829
0.00000337 -0.00000750 0.00009099
0.01214493 -0.01665071 -0.01062579
3.10442554 1.60554426 -9.22359146
-0.00023580 -0.00006582 0.00014925
-0.03242155 0.01385998 0.03433450
-3.54471010 17.72384654 12.35105324
0.00041353 -0.00006216 0.00012460
-0.00421009 0.01791103 0.02417137
-3.90650327 5.19334779 -11.28985742
-0.00015772 0.00018365 -0.00023940
-0.01842160 0.01871338 0.00746360
-7.88366939 2.71222441 -8.87068417
0.00017404 0.00005231 -0.00007691
0.03341750 0.01078613 -0.01590669
2.51810730 27.54517707 9.01455572
0.00010072 0.00008308 0.00049289
0.00931412 -0.01138208 -0.01474228
9.37184220 -6.26528616 -1.72009569
-0.00025865 -0.00009722 0.00017900
0.00417803 0.00188467 0.00761610
-8.66596111 0.70936551 6.22634012
0.00010639 -0.00010012 0.00013673
0.04291381 -0.00309641 -0.01338104
20.53727386 10.95625647 8.69484732
0.00008327 0.00023185 -0.00017182
-0.01000003 0.01802297 -0.00772271
-1.95135706 -2.22909114 -27.62349913
0.00006463 -0.00002845 -0.00010555
-0.04595389 0.03929667 -0.00526441
-14.12360423 6.15917078 8.10180878
0.00033371 -0.00006261 0.00021905
0.00276490 0.00062219 -0.01046609
-9.73035273 7.22302557 -1.96807585
-0.00021600 -0.00000007 0.00038396
-0.00941499 -0.00976241 0.01516812
-1.78457427 -15.05444668 23.01777926
-0.00024586 0.00025139 -0.00049526
-0.00492380 -0.02026444 -0.00913587
-2.77577527 6.25955604 -6.06006998
-0.00002785 -0.00019885 0.00011995
-0.01348892 -0.00683448 0.00278111
-20.46484348 30.07095039 4.22988295
-0.00054126 -0.00050199 0.00018587
0.00065895 -0.00383690 -0.02326809
7.78492521 0.68914905 7.46694659
0.00020924 0.00042308 -0.00015629
0.00955055 -0.00984629 0.00847274
5.80649486 11.10937912 -13.42451228
0.00018931 -0.00059301 0.00006720
0.03210974 0.01239776 0.02331169
15.63430138 2.85687598 -1.60310235
0.00013558 0.00031299 0.00031902
0.00533531 0.00054951 0.01193253
-4.45453049 12.98652674 -0.77244528
0.00002347 -0.00039221 0.00006559
0.01319281 0.00071162 -0.01857458
4.77547820 12.58990925 2.46923147
-0.00008809 0.00012277 -0.00028273
0.04190483 -0.00217134 0.02212969
25.02549868 -11.43745077 -9.79448934
-0.00015813 0.00018002 0.00027605
0.00466278 -0.00047860 -0.00322090
16.93391215 -3.41942609 -0.77572663
0.00037709 0.00039531 -0.00009666
0.02491389 0.02479483 -0.02088937
13.53002916 7.77267647 10.27887083
0.00026048 -0.00032176 0.00009476
-0.01315271 0.00612658 -0.00378818
1.79973070 -14.01831385 17.52000768
0.00026650 0.00009937 -0.00004967
-0.00746349 -0.02830004 -0.02476772
-3.64239856 -0.69757032 -14.15754407
0.00020582 -0.00007522 0.00000391
-0.02421668 0.00709904 0.04528227
14.98225541 -7.59648407 -8.83978670
0.00019167 -0.00019006 -0.00008726
0.04016148 0.01997338 0.01180474
8.38682477 -6.90105150 8.98514167
0.00004704 0.00032079 0.00013400
0.01565766 -0.00720776 0.00602720
-21.11125321 2.42028285 22.89136815
0.00004290 0.00029487 0.00011160
0.01993705 0.01861622 -0.03693467
25.74491726 -3.07458409 -8.24584346
0.00011711 0.00014084 -0.00007673
0.01181574 0.01296265 0.00421347
9.93738486 -13.92791870 -8.57475523
0.00006972 -0.00003034 -0.00039569
-0.00213927 -0.03609012 0.01570979
-6.67515704 -12.26547561 16.97315535
0.00007789 0.00028903 -0.00007101
0.00341920 0.00179825 0.01001853
7.45560581 2.77411056 -29.32961633
-0.00046483 -0.00046400 -0.00004198
0.01391299 0.00216151 0.00177009
10.99265277 15.79012199 15.45122185
-0.00033843 0.00031826 0.00006775
0.01942644 -0.02181305 -0.04075698
28.83403176 6.40300838 -3.47427808
0.00012589 0.00025840 -0.00000368
-0.00833326 -0.00778862 -0.01692823
5.23201340 -32.16830358 -3.53374651
-0.00049460 -0.00034918 -0.00042489
-0.00798932 0.00775111 0.00503393
4.84534954 -31.72522051 -0.51490509
-0.00030413 -0.00072391 -0.00002489
-0.00978485 0.00492229 -0.01876526
-12.25636099 -3.10648967 -9.48132843
-0.00070917 0.00001208 -0.00097466
-0.01142140 -0.02500133 -0.00286943
-12.06576413 -0.54661144 -10.93897595
0.00031463 0.00043664 -0.00077737
-0.00379398 -0.00396226 -0.00599950
-38.96126961 2.42357078 1.38230499
0.00022722 0.00032170 -0.00019676
0.00666642 -0.00408127 -0.00903102
-37.83027729 3.86643310 -0.85531640
0.00018791 0.00095003 -0.00075081
-0.00215042 0.01558161 -0.01427680
-10.84905943 -5.42503641 3.22036995
0.00000072 -0.00044034 -0.00013097
0.02229598 -0.03677049 -0.01934092
-10.56543121 -2.89082351 4.37037087
0.00023613 0.00011735 0.00100782
0.00343305 0.01343118 0.00228241
4.08881704 -2.36779099 8.44808798
-0.00028866 0.00063039 0.00006968
0.00369353 0.02161329 -0.00811908
3.62414336 -4.23307404 10.47985666
0.00012770 -0.00040841 -0.00054137
0.00027247 -0.00173786 0.01925929
-34.52919360 -0.99257953 0.24053832
-0.00050712 0.00069599 0.00039676
-0.00243480 -0.00482503 0.00221794
-33.28016251 1.43370727 0.22584192
-0.00085479 0.00023686 -0.00102120
-0.01243963 0.04489226 0.00460371
13.21314348 13.14443912 -15.01063883
-0.00023529 0.00017590 0.00126541
0.03016302 -0.01714570 0.03039891
16.02080367 12.44360879 -14.26118898
0.00091709 -0.00057672 -0.00084969
-0.02545943 -0.00154726 0.01306825
-8.00023548 7.63975966 1.73915552
0.00076776 -0.00007695 -0.00056194
-0.00071512 -0.01360264 0.00358219
-7.36276971 4.80489477 1.43435868
0.00013944 -0.00099855 -0.00076231
-0.00133057 0.00787266 0.00945975
6.28159299 12.36027793 -7.71898119
-0.00018839 -0.00030699 -0.00053556
-0.01345474 0.00233050 -0.01555363
8.57804385 13.37795832 -6.25439438
-0.00047120 0.00030751 0.00040482
0.01650342 0.01895489 -0.00718383
8.91284431 8.25811284 -20.01229197
0.00027350 -0.00095070 0.00007371
-0.00740055 0.00203054 0.00209954
10.57261678 10.40337225 -19.12643112
0.00052955 0.00018080 0.00066473
0.01180132 0.01778959 0.00006114
24.27791944 15.83939315 -2.82099537
0.00022328 0.00048331 -0.00010510
-0.01207145 0.01325059 0.00430998
24.18956945 18.76430929 -3.05025282
0.00098433 -0.00026448 -0.00000535
0.00922517 -0.00477811 0.00884105
1.53011371 16.83482528 -21.51926992
-0.00005135 -0.00053908 -0.00064956
0.01282883 0.00497863 0.03545241
3.35392714 15.58599417 -19.44789996
0.00010532 -0.00086550 -0.00006773
-0.00574661 0.00653969 -0.00047409
13.16548702 -1.91668985 -7.07194058
0.00110634 -0.00024512 -0.00017465
0.00430847 0.00128462 -0.00726162
12.75346022 -1.07722900 -4.48970032
-0.00092389 0.00004700 -0.00024094
0.00745996 0.00821981 0.00745814
-17.83029425 -1.91701237 3.31262217
-0.00056900 -0.00083631 0.00091538
-0.03338524 -0.02060414 -0.00279376
-15.09846730 -2.93057658 2.98517530
-0.00047569 -0.00034812 0.00100076
0.00062975 -0.00569126 0.00405177
-16.04048772 -0.63944418 19.33231653
0.00166569 -0.00029618 -0.00091817
-0.00009410 0.02199877 0.00763864
-14.80925979 -3.16213221 19.74927627
0.00073802 -0.00042123 -0.00011013
0.01653831 -0.01994376 0.00980608
-0.19094766 0.42926201 -5.06086207
-0.00007220 0.00057646 -0.00004711
-0.01330828 0.01164641 0.00283391
-0.81685565 3.48682570 -5.12212364
0.00034030 0.00062375 -0.00010164
0.00721713 -0.02204878 0.00832763
23.90384470 -8.46218708 -9.20005005
0.00037669 -0.00038887 0.00000531
-0.00405132 -0.02090703 -0.00144275
23.87915208 -5.81603418 -8.15625134
-0.00049036 0.00064784 0.00039250
-0.00716549 0.00663557 -0.00296416
-0.55182345 -6.17667119 5.47676068
-0.00022324 0.00046693 -0.00001805
0.00793919 0.00140426 0.01237486
0.88122381 -6.09886948 8.08005886
0.00034151 0.00114704 -0.00088973
-0.00800821 0.00322740 -0.01071371
-0.20089264 -2.37495775 -19.54654855
-0.00055206 0.00009138 0.00002681
-0.02248612 0.00607456 0.00470637
-2.99884025 -2.24641341 -20.51709254
0.00037451 -0.00095305 -0.00087382
0.01535433 0.00605392 0.00533887
2.88318724 3.09065274 -10.24372261
-0.00002111 -0.00045334 -0.00055730
-0.00219039 0.00764379 -0.02243114
1.83899297 1.90558660 -7.76397365
0.00030357 0.00067969 0.00021261
0.02859677 -0.00557521 -0.01820719
-2.10458330 16.58288965 12.41623744
-0.00072799 0.00054600 -0.00001331
0.00930262 -0.01090484 -0.00855255
-3.16379556 18.64604755 13.96745167
0.00121417 0.00080735 -0.00016024
-0.00808188 -0.00151031 -0.01436819
-5.57451044 6.22390920 -11.32112027
0.00032168 -0.00037118 -0.00141656
0.02948216 -0.03150978 -0.01235708
-3.85462897 3.69227640 -12.37155927
0.00055977 0.00121179 0.00047569
-0.00941749 0.01626296 0.00377711
-7.93155568 1.21139609 -7.81008335
-0.00075868 -0.00074233 0.00007097
-0.00445923 0.00640495 0.00674258
-6.02969899 2.95910088 -9.15458841
-0.00067807 -0.00045155 0.00081307
-0.03308925 0.00217865 0.00235378
2.92473261 27.32793709 7.20031507
-0.00050603 -0.00075540 -0.00039519
-0.01061616 0.00676836 0.02152835
1.39183444 28.96276617 9.07581494
0.00049719 -0.00001152 -0.00012428
-0.00564368 0.00262417 -0.00030112
10.51065833 -6.94764976 -0.43410786
-0.00071115 0.00093570 -0.00002919
-0.00734437 -0.00275539 -0.00640889
8.24767176 -7.60606230 -2.25631037
-0.00012878 0.00000127 0.00087636
0.00395050 0.00322298 0.00494347
-7.18509730 -0.04964137 7.13350972
-0.00075464 -0.00025336 0.00087633
-0.01709294 0.01136826 -0.00823641
-10.15434764 0.58187677 7.16797269
-0.00018451 -0.00035467 0.00056309
-0.02603545 -0.01300406 0.02254616
20.91521615 11.22766572 10.47130554
-0.00051044 0.00037709 0.00022311
0.00187609 -0.00268067 -0.00704312
20.42262751 12.71904816 7.98226756
0.00064502 -0.00048972 -0.00038243
0.01226687 -0.01858383 0.01239702
-1.00126971 -3.49099643 -26.81703992
-0.00027994 -0.00152125 -0.00107960
0.01428860 -0.03276005 0.02037168
-3.36244859 -1.81533524 -26.43301150
-0.00029975 0.00051057 0.00008285
0.01727323 -0.01011191 -0.01684360
-13.47451373 6.80642435 9.68099869
-0.00021536 -0.00042365 0.00087212
-0.00802037 0.00387713 0.00093912
-15.18822600 7.49843014 7.39535447
0.00052157 0.00060298 0.00079685
0.00891502 -0.00593523 0.01255572
-11.53925251 7.56291716 -1.87624480
-0.00058631 -0.00095485 0.00045667
0.01106084 -0.00062745 -0.01509723
-8.93412875 8.05939025 -3.38436993
-0.00064873 -0.00017516 0.00078810
-0.00497796 0.01221891 -0.00889237
-0.87975758 -16.63974557 22.38797171
0.00028630 0.00032418 -0.00032504
-0.02476708 0.01929481 0.01812614
-3.49611957 -15.45536004 23.67793810
0.00158161 0.00057756 -0.00029943
0.02656747 -0.00473745 -0.00987516
-2.96039372 6.05964801 -7.91934935
-0.00069356 -0.00082845 0.00008940
-0.00774825 0.00151223 0.01496604
-4.46042308 6.58983197 -5.25201170
-0.00025193 0.00020491 0.00093975
0.02781353 -0.00193708 -0.02394559
-21.84933648 29.78033764 2.94484443
0.00061755 -0.00014778 -0.00010638
0.01253493 0.00025006 0.01232294
-21.31308295 31.00392879 5.49871953
0.00068922 -0.00014686 -0.00059110
-0.01038992 0.01166481 0.01736540
7.15204068 -0.20970274 5.89876084
0.00061092 0.00068477 0.00051071
-0.00324043 0.02743201 0.01374486
7.10612469 2.33457301 7.98607549
-0.00056628 0.00017570 -0.00028857
-0.00058731 -0.01244804 -0.01986609
6.92314595 12.59278998 -12.87034525
0.00013110 -0.00061721 0.00018815
-0.00416481 -0.02018065 -0.00718872
5.16843456 11.89670653 -14.86610402
0.00003872 0.00035245 -0.00096009
-0.02083939 0.00804232 -0.03415919
14.25488813 3.96521143 -1.99617867
0.00017128 0.00027071 0.00045833
-0.00809344 0.01139991 -0.01064109
14.78377852 1.29804416 -1.22192828
-0.00027971 -0.00033172 0.00089682
0.00164738 -0.00748712 -0.00178445
-3.00271136 12.06856218 -0.17290056
0.00004103 -0.00091929 -0.00030884
-0.00073653 -0.00041314 0.00068712
-5.72963137 12.89739104 0.52175646
-0.00081210 -0.00007291 -0.00079700
-0.00936939 -0.00326683 0.01029547
3.27555505 11.64125841 2.36737068
0.00101261 0.00030886 -0.00047229
-0.02166103 -0.02371866 0.00734861
6.19638945 11.39833489 3.04672646
-0.00015170 0.00044751 -0.00040328
-0.01877331 0.01868770 -0.01375261
25.23904224 -12.81660499 -8.59515437
0.00025100 -0.00024223 -0.00108781
0.00021529 0.00678839 -0.00780266
26.14135036 -11.50452901 -11.38146205
-0.00149627 -0.00068224 0.00073282
-0.01017900 -0.00843871 0.02334877
15.90460979 -2.82705389 0.52428862
0.00038456 -0.00008837 0.00006811
-0.02908278 0.00944514 0.02152044
16.86345555 -5.18885253 -0.73439924
-0.00030357 0.00010155 0.00011086
0.00140249 -0.03553916 0.00023421
12.13308331 8.13568217 11.51401320
0.00128749 -0.00015193 -0.00025621
0.01755996 -0.00924652 -0.00142189
13.65288101 9.43404019 9.46407947
0.00141332 -0.00043544 -0.00060363
0.00856924 -0.00339092 0.00152032
0.03472706 -14.66661699 17.27030743
0.00022350 -0.00005945 -0.00052875
0.01704071 0.01488901 0.00637582
1.91533737 -12.78466802 18.79614224
0.00081317 -0.00004336 0.00029785
-0.00822719 0.02063959 0.01572559
-3.69528333 -1.66959090 -12.55642471
0.00060329 0.00045881 0.00111799
-0.00151947 0.00884220 -0.01137583
-2.69637932 -1.80690119 -15.15178696
0.00037869 0.00053389 0.00123955
0.01810869 -0.01611859 -0.02969576
14.71601375 -7.97816765 -10.57325909
-0.00056047 0.00013096 0.00034221
-0.01235008 -0.01444156 -0.02192686
16.40916631 -6.23014278 -9.06136002
-0.00046535 -0.00094976 -0.00021568
-0.01645566 -0.01615625 0.00803183
7.09234261 -5.64011647 8.68300930
-0.00014427 0.00103452 0.00085284
-0.00065591 0.00760706 -0.00637052
9.88460256 -6.56950550 7.96590283
0.00087262 0.00009189 -0.00009964
-0.01681465 0.00569007 0.00175260
-20.99199740 2.13135719 20.99968073
0.00081343 0.00001856 0.00017538
-0.00938444 0.00132358 0.03145344
-22.32957817 1.30094261 23.61977204
-0.00003150 -0.00080200 -0.00095511
-0.01375838 -0.01289974 0.00073210
26.97559651 -2.81699827 -6.88190005
0.00062084 0.00026034 -0.00031952
-0.00298235 -0.00571303 -0.00488532
25.58223474 -1.33905503 -8.98447115
0.00058934 0.00008003 -0.00010588
-0.00242580 -0.01633509 0.00655667
10.00341571 -15.65762939 -7.79102135
-0.00022678 -0.00003776 0.00049242
-0.00344459 0.03139481 -0.01290553
9.21745967 -12.79529796 -7.30616084
-0.00072670 -0.00001559 -0.00082677
-0.00271142 0.00015362 -0.00343450
-5.77173998 -11.32696558 18.28536919
0.00063089 0.00031781 0.00086799
-0.00335733 0.00055966 -0.00332129
-6.73639711 -11.12481829 15.54241053
0.00005848 0.00018786 -0.00002856
-0.00138552 0.00077118 -0.00080981
8.87414039 1.57615773 -29.50252592
0.00094996 0.00032420 -0.00006046
-0.02298725 0.00621080 -0.00516761
5.90070576 2.28031550 -30.26574469
0.00016481 -0.00097673 -0.00015866
0.01639291 -0.00619593 0.00604595
12.78584048 15.15597628 14.64190009
0.00039998 0.00076956 -0.00002622
-0.03643903 0.01468726 0.00428334
11.53067526 16.22430250 17.07183386
0.00053539 0.00055923 0.00074600
-0.00042036 0.00984108 0.03703747
29.01239199 5.24876104 -4.95100843
-0.00029792 0.00034044 -0.00033658
0.01083988 0.00024497 0.01473547
27.11923097 6.99964524 -3.86135133
0.00057457 0.00016888 0.00002444
0.00138809 0.00281356 0.00814928
-9.95279490 5.07573612 6.43293064
0.00001525 0.00029228 -0.00017827
0.00271817 0.00169255 0.00523295
-8.86758830 13.37528936 2.61206913
-0.00013598 0.00001527 0.00004725
0.00001512 -0.00293021 0.00441959
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09442814
0.31611452
421.20675116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3573091096 (a.u.)
total exchange computation time: 2.7328100204 s
-154.0316222597
-931.41406307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3570758384 (a.u.)
total exchange computation time: 2.7294189930 s
-154.0347464115
Anderson extrapolation: theta=1.3627838392 (1.3627838392)
-931.41425626
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3566711035 (a.u.)
total exchange computation time: 2.7301700115 s
-154.0398331573
Anderson extrapolation: theta=0.0555821196 (0.0555821196)
-931.41437298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3565811747 (a.u.)
total exchange computation time: 2.7320790291 s
-154.0407846663
Anderson extrapolation: theta=2.0087662539 (2.0000000000)
-931.41437773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3563859145 (a.u.)
total exchange computation time: 2.7307529449 s
-154.0427981592
Anderson extrapolation: theta=0.2340784780 (0.2340784780)
-931.41438311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3563406475 (a.u.)
total exchange computation time: 2.7313978672 s
-154.0432384567
Anderson extrapolation: theta=1.8067712528 (1.8067712528)
-931.41438424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3562806970 (a.u.)
total exchange computation time: 2.7323951721 s
-154.0438163276
Anderson extrapolation: theta=0.2934487579 (0.2934487579)
-931.41438563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3562840022 (a.u.)
total exchange computation time: 2.7325160503 s
-154.0437843591
Anderson extrapolation: theta=1.3115854125 (1.3115854125)
-931.41438599
-118.445864 69.092118 97.212902
560.650670 1031.710236 -409.241036
442.204806 1100.802354 -312.028134
1226.650916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3563024918 (a.u.)
total exchange computation time: 2.7308168411 s
678.75868591
-1083.19903124
89.72757590
-389.53254467
-174.81276973
77.95314404
551.60419304
0.00000000
-931.41438632
4.06126763 -31.51014909 -2.23532583
-0.00001810 -0.00043392 -0.00012654
0.00896344 -0.00554112 -0.00150341
-11.65948862 -1.43105634 -9.41301335
-0.00029486 0.00018353 -0.00010925
0.00632974 0.02183376 0.00189160
-37.53166487 2.44533626 0.21922735
-0.00000902 0.00007739 0.00001043
-0.00087845 0.00384722 0.00422027
-11.77468717 -4.20671359 4.08821850
-0.00015021 0.00007876 0.00023181
-0.02329367 0.02596263 0.02119581
3.97220476 -4.13542379 8.70107162
-0.00025015 -0.00031277 -0.00042355
0.00113496 -0.01249670 -0.00860662
-32.88138024 -0.26211719 0.14062759
-0.00059821 0.00007577 0.00046331
0.01695413 -0.03533493 -0.00758885
14.27521824 12.49616266 -13.51465510
-0.00025572 0.00018837 -0.00005141
0.01142770 0.01933775 -0.05161504
-7.75015153 6.09810127 2.73772294
-0.00000022 0.00016034 0.00029794
0.00822882 -0.00101812 -0.01850954
7.24057194 12.13356767 -6.23275250
-0.00005705 -0.00026252 -0.00032955
0.00345143 -0.01720478 0.01706760
8.84160630 9.86366920 -19.15149099
0.00006516 -0.00027415 -0.00015386
-0.00424868 -0.02600109 -0.00222601
23.18254055 17.35561197 -2.44308886
0.00005889 -0.00002209 -0.00028959
0.02032073 -0.01747482 -0.00971594
2.05241473 16.90784074 -19.63456760
-0.00021215 0.00031670 0.00013336
-0.00696257 -0.00977954 -0.03481994
14.02704186 -0.90981959 -5.79484264
0.00005566 -0.00013412 0.00006669
-0.01167133 -0.02649467 0.01637795
-16.13979584 -1.44922017 3.20244292
-0.00008583 -0.00012130 -0.00003719
0.02605153 0.01437134 0.00741260
-16.03536775 -2.33725795 18.75502294
0.00025719 -0.00017422 -0.00013033
-0.01795015 -0.00579711 -0.01850306
0.43749437 2.13956968 -4.62802923
-0.00007668 0.00000447 0.00015304
0.00029920 0.01693952 -0.01465833
22.73882089 -7.10779964 -8.81283755
0.00000748 -0.00002715 -0.00000496
0.01014199 0.00991228 0.00528614
-0.77016512 -6.41516977 7.30212507
-0.00013913 -0.00021509 -0.00000051
0.00015485 0.00194231 -0.01019061
-1.80246449 -1.41484636 -19.34001447
0.00000813 -0.00001630 0.00008463
0.00635864 -0.01760336 -0.01408537
3.10076351 1.60461047 -9.22122031
-0.00025221 -0.00005851 0.00016649
-0.03140092 0.01455623 0.03272582
-3.53852336 17.72298320 12.35301548
0.00040979 -0.00005118 0.00013721
-0.01032532 0.02478291 0.02487154
-3.90894018 5.19617468 -11.29341956
-0.00016659 0.00019466 -0.00023434
-0.01606156 0.02412347 0.01218784
-7.88092983 2.71305060 -8.87189915
0.00018941 0.00005647 -0.00008402
0.02632437 0.00539734 -0.01173009
2.51965408 27.54637941 9.02189217
0.00010617 0.00007653 0.00048399
0.01187384 -0.01410232 -0.01987534
9.36797860 -6.26673720 -1.71738134
-0.00025699 -0.00009519 0.00018210
0.00225910 0.00601072 0.00443069
-8.66419972 0.70785176 6.22833946
0.00012686 -0.00010179 0.00013069
0.03669960 -0.00338216 -0.01012700
20.53848430 10.95980370 8.69224030
0.00007828 0.00024019 -0.00017494
-0.00939511 0.01442269 -0.00441151
-1.95056487 -2.22936626 -27.62510265
0.00004119 -0.00000882 -0.00010748
-0.04518410 0.03701494 -0.00225544
-14.11858789 6.15823395 8.10505416
0.00033514 -0.00006187 0.00021409
0.00277180 0.00225702 -0.00883513
-9.73362901 7.22298689 -1.96225791
-0.00022154 -0.00000558 0.00039257
-0.01215512 -0.01168005 0.01832035
-1.78828109 -15.05075406 23.01031508
-0.00024557 0.00024158 -0.00050103
0.00603268 -0.01787844 -0.01327427
-2.77624509 6.25654687 -6.05825999
-0.00003544 -0.00020226 0.00012157
-0.01602368 -0.00639472 0.00349937
-20.47295987 30.06340579 4.23258119
-0.00053911 -0.00050498 0.00017307
0.00770034 -0.00778677 -0.02650784
7.78810058 0.69545723 7.46463485
0.00021442 0.00041854 -0.00015107
0.01061476 -0.00781303 0.01186155
5.80945838 11.10053184 -13.42341435
0.00020459 -0.00058520 0.00007633
0.02729813 0.01796619 0.01218651
15.63635564 2.86157296 -1.59827110
0.00013762 0.00031170 0.00032562
0.00259697 -0.00555597 0.01374216
-4.45412757 12.98064628 -0.77153306
0.00003050 -0.00039190 0.00005583
0.01414981 0.00049482 -0.01936994
4.77431847 12.59174240 2.46507593
-0.00006500 0.00012299 -0.00027129
0.04787436 0.00303752 0.02235582
25.02314474 -11.43475235 -9.79036098
-0.00015627 0.00018030 0.00027457
0.00257639 0.00157513 -0.00255950
16.93966453 -3.41340086 -0.77725710
0.00038974 0.00040698 -0.00010720
0.02429812 0.02061812 -0.02009161
13.53388559 7.76787374 10.28027755
0.00025501 -0.00031847 0.00009159
-0.00812502 0.00665723 -0.00852831
1.80369947 -14.01693246 17.51916710
0.00026268 0.00008508 -0.00006215
-0.00742404 -0.02726520 -0.02377383
-3.63940471 -0.69867123 -14.15731081
0.00019217 -0.00007060 0.00002940
-0.02886340 0.01087804 0.05387234
14.98528532 -7.59925790 -8.84105007
0.00021165 -0.00018015 -0.00008047
0.03754997 0.01854711 0.01460728
8.38759076 -6.89626740 8.98717490
0.00005551 0.00031777 0.00013636
0.01728815 -0.00453920 0.00315337
-21.11053287 2.42477769 22.89289968
0.00005259 0.00030388 0.00009286
0.01775521 0.01642264 -0.03592303
25.74671955 -3.07242151 -8.24697814
0.00012351 0.00014739 -0.00007433
0.01303674 0.01250919 0.00513224
9.93842244 -13.92851306 -8.58063000
0.00006851 -0.00004927 -0.00038724
-0.00257071 -0.03749341 0.01713507
-6.67397548 -12.26113327 16.97212890
0.00008039 0.00029047 -0.00006449
0.00630702 0.00381327 0.01533416
7.44868703 2.76715883 -29.33023922
-0.00045645 -0.00046317 -0.00004075
0.01867338 0.00107805 0.00301326
10.98765127 15.79481171 15.45208095
-0.00032721 0.00030765 0.00004894
0.02418658 -0.01942807 -0.03239893
28.83588794 6.40685430 -3.47439859
0.00012234 0.00025392 -0.00001247
-0.00546770 -0.00963979 -0.01724274
5.22434955 -32.17330383 -3.53996555
-0.00052529 -0.00031829 -0.00040486
-0.00703100 0.00737271 0.00476837
4.84048771 -31.73592832 -0.51585347
-0.00034294 -0.00070359 -0.00010262
-0.00921117 0.00502539 -0.01928580
-12.26734847 -3.10707466 -9.49603624
-0.00075316 -0.00008351 -0.00098567
-0.01011425 -0.02178995 -0.00251898
-12.06116091 -0.54018329 -10.95082027
0.00030112 0.00041659 -0.00079416
-0.00282193 -0.00584988 -0.00221999
-38.95765710 2.42827125 1.37907692
0.00025027 0.00030503 -0.00023058
0.00461716 -0.00408017 -0.00752673
-37.82752451 3.88116099 -0.86701608
0.00018154 0.00099925 -0.00079804
-0.00096656 0.00851442 -0.00884119
-10.84836534 -5.43276822 3.21781271
0.00008556 -0.00058056 -0.00020304
0.01923029 -0.03187113 -0.01593589
-10.56178411 -2.88865176 4.38555815
0.00024592 0.00016632 0.00101528
0.00135960 0.01054159 0.00136655
4.08460025 -2.35767291 8.44888435
-0.00027461 0.00070298 0.00003855
0.00318680 0.01392207 -0.00711677
3.62606716 -4.23925339 10.47232624
0.00012784 -0.00041616 -0.00045979
-0.00020470 -0.00205672 0.02067689
-34.53687507 -0.98228755 0.24655764
-0.00052237 0.00067295 0.00040673
-0.00502649 -0.00645187 0.00266149
-33.29336552 1.43863582 0.21066496
-0.00090398 0.00041618 -0.00100350
-0.01163853 0.04288747 0.00406083
13.21053838 13.14655215 -14.99072611
-0.00011704 0.00010906 0.00138071
0.02772062 -0.01557223 0.02604140
16.03377989 12.43491064 -14.27353385
0.00079796 -0.00058138 -0.00079025
-0.03285775 -0.00073363 0.01602769
-7.98874096 7.63818866 1.73083617
0.00076444 -0.00013354 -0.00054546
-0.00090859 -0.01410039 0.00448405
-7.36071889 4.79015781 1.42321397
0.00013099 -0.00095379 -0.00071022
-0.00280545 0.01403665 0.01603529
6.27835478 12.35574454 -7.72749117
-0.00024025 -0.00029741 -0.00059495
-0.01192670 0.00235905 -0.01352003
8.57148153 13.38315186 -6.24854226
-0.00040532 0.00038343 0.00037480
0.01574783 0.01820840 -0.00750741
8.91672001 8.24391462 -20.01112204
0.00024427 -0.00093502 0.00008604
-0.00690470 0.00564095 0.00393810
10.58092170 10.40662942 -19.11645836
0.00056864 0.00024934 0.00066397
0.00733165 0.01575872 -0.00042870
24.28089868 15.84704878 -2.82243980
0.00017505 0.00053297 -0.00008818
-0.01153464 0.01105843 0.00397461
24.20461713 18.76019570 -3.05006213
0.00101882 -0.00028479 0.00003184
0.00765703 -0.00516581 0.00936065
1.52973656 16.82689165 -21.52792696
0.00000152 -0.00051656 -0.00049884
0.01305260 0.00604357 0.03832684
3.35533085 15.57321210 -19.44893040
0.00007296 -0.00082895 -0.00007004
-0.01009487 0.01135133 -0.00065729
13.18221422 -1.92032730 -7.07478289
0.00112161 -0.00024269 -0.00020593
0.00316352 -0.00009325 -0.00805104
12.73983045 -1.07627219 -4.49308587
-0.00088903 0.00008082 -0.00021594
0.00960657 0.00833883 0.00477925
-17.83985222 -1.93018844 3.32626720
-0.00069109 -0.00091597 0.00090324
-0.02638068 -0.01839053 -0.00314866
-15.10558330 -2.93597273 3.00031082
-0.00047090 -0.00037280 0.00101683
0.00171413 -0.00639384 0.00381690
-16.01550530 -0.64321284 19.31877810
0.00166483 -0.00020064 -0.00088562
-0.00032690 0.02477311 0.00829386
-14.79768265 -3.16906177 19.74792479
0.00079935 -0.00049921 -0.00007511
0.01348132 -0.01822885 0.00733709
-0.19243848 0.43826573 -5.06148185
-0.00012811 0.00061834 -0.00003678
-0.01405937 0.00885517 0.00221963
-0.81153000 3.49550625 -5.12339311
0.00037050 0.00053183 -0.00006686
0.00756851 -0.02294436 0.00869826
23.90937092 -8.46866083 -9.20001456
0.00035583 -0.00046652 0.00000207
-0.00616097 -0.01710226 -0.00014367
23.87157707 -5.80611319 -8.15045468
-0.00052112 0.00067015 0.00037803
-0.00789306 0.00428279 -0.00411865
-0.55492878 -6.16962417 5.47686908
-0.00019248 0.00047212 0.00003275
0.00712042 0.00113257 0.01249246
0.88610112 -6.08156493 8.06638465
0.00030524 0.00115890 -0.00093311
-0.00974663 0.00257788 -0.01052312
-0.20986262 -2.37340096 -19.54600215
-0.00063620 0.00011308 0.00004629
-0.01870091 0.00454763 0.00482683
-2.99275207 -2.26052358 -20.53003619
0.00044129 -0.00092292 -0.00084567
0.01733622 0.00869280 0.00843742
2.88280345 3.08408680 -10.25276946
-0.00003002 -0.00042319 -0.00064754
-0.00217066 0.00711891 -0.02174066
1.84442274 1.91561111 -7.76134243
0.00041837 0.00065636 0.00013968
0.02760100 -0.00584690 -0.01749343
-2.11521814 16.59074544 12.41577577
-0.00067634 0.00049007 -0.00004844
0.01598070 -0.01647095 -0.00864643
-3.14583067 18.65811148 13.96460775
0.00117939 0.00079904 -0.00022086
-0.00894223 -0.00255421 -0.01530255
-5.56878179 6.21737596 -11.34274739
0.00043695 -0.00049598 -0.00146495
0.02694089 -0.02957902 -0.01132581
-3.84652098 3.71095155 -12.36430810
0.00052211 0.00126295 0.00048029
-0.00901624 0.00878299 -0.00152994
-7.94307257 1.20045736 -7.80881215
-0.00077599 -0.00070707 0.00009267
-0.00401159 0.01085454 0.00387828
-6.04088394 2.95239437 -9.14232018
-0.00079986 -0.00044082 0.00082033
-0.02652778 0.00307447 0.00119841
2.91681689 27.31681354 7.19504686
-0.00055083 -0.00072639 -0.00029747
-0.01131688 0.00742819 0.02630854
1.39911936 28.96267379 9.07394151
0.00047033 0.00000344 -0.00012498
-0.00750560 0.00469915 -0.00003962
10.49976606 -6.93369873 -0.43474212
-0.00073392 0.00092000 -0.00004715
-0.00380065 -0.00492704 -0.00238050
8.24586118 -7.60594443 -2.24301345
-0.00011611 0.00001037 0.00089480
0.00225145 0.00122869 0.00408400
-7.19694076 -0.05309346 7.14640231
-0.00082033 -0.00020787 0.00084270
-0.01505797 0.01090157 -0.00822808
-10.15791304 0.57615820 7.17710988
-0.00028260 -0.00040582 0.00064825
-0.02198132 -0.01203200 0.01914232
20.90761708 11.23323993 10.47443633
-0.00050381 0.00036583 0.00019005
0.00136808 -0.00283079 -0.00913672
20.43267869 12.71113295 7.97691093
0.00069440 -0.00055820 -0.00033411
0.01190577 -0.01494162 0.01125778
-1.00503103 -3.51481906 -26.83260961
-0.00022736 -0.00164725 -0.00099953
0.01145046 -0.02891652 0.01882048
-3.36641552 -1.80798655 -26.43228492
-0.00022421 0.00046649 0.00001116
0.01970217 -0.01146510 -0.01824868
-13.47798995 6.80018839 9.69410928
-0.00024860 -0.00040965 0.00087304
-0.00825090 0.00297588 -0.00048959
-15.18012925 7.50729294 7.40769197
0.00055847 0.00057738 0.00084788
0.00914672 -0.00659507 0.01242464
-11.54770818 7.54857518 -1.86985731
-0.00053841 -0.00095715 0.00039458
0.01238661 -0.00049784 -0.01529847
-8.94401232 8.05713732 -3.37282092
-0.00066599 -0.00012142 0.00074505
-0.00347004 0.01408675 -0.01218328
-0.87622196 -16.63429159 22.38365151
0.00018416 0.00040338 -0.00025075
-0.02523456 0.01947563 0.01823914
-3.47158125 -15.44684182 23.67314402
0.00166871 0.00055275 -0.00033192
0.01606641 -0.00740800 -0.00602971
-2.97103448 6.04726765 -7.91754978
-0.00072509 -0.00082145 0.00015194
-0.00768955 0.00191159 0.01565050
-4.46334971 6.59284628 -5.23864916
-0.00013288 0.00019578 0.00083854
0.03046294 -0.00253217 -0.02559737
-21.83968914 29.77812860 2.94362633
0.00066280 -0.00014725 -0.00005948
0.00961546 0.00001097 0.01063571
-21.30306305 31.00208340 5.49038524
0.00063863 -0.00009081 -0.00050964
-0.01437503 0.01577070 0.02250894
7.16110521 -0.19859060 5.90684266
0.00059476 0.00079228 0.00055980
-0.00467155 0.02519624 0.01028462
7.09761249 2.33682709 7.98113825
-0.00056775 0.00012501 -0.00036933
-0.00013268 -0.01236521 -0.01966807
6.92498479 12.58291347 -12.86774335
0.00011361 -0.00069954 0.00015868
-0.00439566 -0.02012017 -0.00723705
5.16837684 11.90223967 -14.88155205
-0.00003609 0.00037396 -0.00107734
-0.01578501 0.00248804 -0.02323575
14.25720940 3.96962146 -1.98962976
0.00013711 0.00031763 0.00041435
-0.00863665 0.01156402 -0.01088872
14.77963336 1.29283897 -1.20853070
-0.00026692 -0.00035018 0.00088659
0.00461519 -0.00154926 -0.00322256
-3.00211848 12.05476012 -0.17751208
0.00003467 -0.00091982 -0.00030540
-0.00237723 0.00015454 0.00099371
-5.74209999 12.89619728 0.51011688
-0.00084921 -0.00008732 -0.00075378
-0.00879753 -0.00378544 0.01086246
3.29008046 11.64516454 2.36051146
0.00090848 0.00020277 -0.00044340
-0.02931067 -0.02821426 0.00679399
6.19353864 11.40562017 3.04025578
-0.00022502 0.00052159 -0.00045810
-0.01711815 0.01757770 -0.01307889
25.24281379 -12.82003041 -8.61171068
0.00025158 -0.00022011 -0.00111323
0.00007198 0.00404087 -0.00463771
26.11859435 -11.51502123 -11.36975435
-0.00153263 -0.00071552 0.00082050
-0.00761779 -0.00785140 0.01957352
15.90948705 -2.82809006 0.52596971
0.00026614 -0.00004877 0.00015596
-0.02888768 0.00994135 0.02148068
16.85894501 -5.18841837 -0.73272922
-0.00029690 -0.00003644 0.00011064
0.00185948 -0.03200772 -0.00034183
12.15293372 8.13311982 11.51012646
0.00135109 -0.00018706 -0.00025619
0.01357558 -0.00794699 0.00143432
13.67434341 9.42740461 9.45507158
0.00144590 -0.00045247 -0.00059445
0.00737965 -0.00494304 0.00297635
0.03860180 -14.66705252 17.26257159
0.00029394 0.00000260 -0.00050139
0.01743624 0.01548804 0.00701804
1.92728284 -12.78468590 18.80109182
0.00077818 0.00003766 0.00035884
-0.00890239 0.01901882 0.01412915
-3.68628049 -1.66243775 -12.54000352
0.00059708 0.00049843 0.00106375
-0.00152433 0.01054942 -0.01517071
-2.69014407 -1.79938672 -15.13410367
0.00046241 0.00045643 0.00110843
0.02287327 -0.02180224 -0.03449028
14.70722833 -7.97664576 -10.56879783
-0.00061194 0.00007047 0.00024717
-0.01284673 -0.01516811 -0.02459530
16.40168176 -6.24488430 -9.06434916
-0.00052755 -0.00101071 -0.00018232
-0.01398781 -0.01367735 0.00829919
7.09015841 -5.62436550 8.69560664
-0.00014090 0.00106014 0.00082675
0.00230522 0.00493083 -0.00639987
9.89717658 -6.56795275 7.96446189
0.00079420 0.00011453 -0.00008702
-0.02156921 0.00539284 0.00442666
-20.98008347 2.13167617 21.00327522
0.00077543 0.00002482 0.00030319
-0.00921738 0.00173861 0.03110962
-22.33047220 1.28851732 23.60546778
-0.00008386 -0.00085082 -0.00095297
-0.01187362 -0.01099580 0.00031738
26.98481769 -2.81326818 -6.88684252
0.00060699 0.00023609 -0.00034056
-0.00379492 -0.00615986 -0.00541358
25.59100046 -1.33835514 -8.98585837
0.00057817 0.00001470 -0.00007971
-0.00304244 -0.01564680 0.00625178
9.99990849 -15.65723378 -7.78403052
-0.00024034 0.00009341 0.00043712
-0.00319559 0.03281590 -0.01416465
9.20647614 -12.79552714 -7.31866766
-0.00073731 -0.00001447 -0.00084090
-0.00248216 0.00039758 -0.00347899
-5.76237945 -11.32218133 18.29828723
0.00061071 0.00031454 0.00084427
-0.00652135 -0.00215877 -0.00828893
-6.73556238 -11.12197678 15.54195736
0.00005343 0.00019226 -0.00003203
-0.00108551 0.00138541 -0.00089098
8.88768542 1.58121102 -29.50359118
0.00084968 0.00035336 -0.00008147
-0.02610271 0.00806337 -0.00511890
5.90368018 2.26547474 -30.26793933
0.00022843 -0.00100282 -0.00013625
0.01475258 -0.00657639 0.00492182
12.79072361 15.16796980 14.64163807
0.00024837 0.00082892 -0.00000795
-0.03777519 0.01436961 0.00465758
11.53869319 16.23299248 17.08415880
0.00052747 0.00059442 0.00087917
-0.00345672 0.00738567 0.02815223
29.00825531 5.25387512 -4.95560555
-0.00025310 0.00034184 -0.00027507
0.01110138 0.00043971 0.01537302
27.12789201 7.00226471 -3.86073502
0.00057396 0.00018299 0.00005703
-0.00168527 0.00409289 0.00780337
-9.95255879 5.08012485 6.43027069
0.00001621 0.00029285 -0.00017639
0.00263617 0.00147402 0.00524000
-8.86962796 13.37551333 2.61278559
-0.00013596 0.00001460 0.00004825
0.00011594 -0.00284073 0.00419228
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09411647
0.32026985
426.74352466
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3508863749 (a.u.)
total exchange computation time: 2.7329330444 s
-154.0055731138
-931.41721116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3507494744 (a.u.)
total exchange computation time: 2.7320580482 s
-154.0078138000
Anderson extrapolation: theta=1.3662319213 (1.3662319213)
-931.41739940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3504576367 (a.u.)
total exchange computation time: 2.7320740223 s
-154.0117756602
Anderson extrapolation: theta=0.0556955878 (0.0556955878)
-931.41751335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3503589903 (a.u.)
total exchange computation time: 2.7325749397 s
-154.0127182835
Anderson extrapolation: theta=1.9927661662 (1.9927661662)
-931.41751787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3501388621 (a.u.)
total exchange computation time: 2.7312138081 s
-154.0147287966
Anderson extrapolation: theta=0.2235892241 (0.2235892241)
-931.41752276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3500833641 (a.u.)
total exchange computation time: 2.7344439030 s
-154.0151691654
Anderson extrapolation: theta=1.8131328087 (1.8131328087)
-931.41752368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3500006351 (a.u.)
total exchange computation time: 2.7310328484 s
-154.0157711911
Anderson extrapolation: theta=0.2754727471 (0.2754727471)
-931.41752472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3499954987 (a.u.)
total exchange computation time: 2.7318201065 s
-154.0157568178
Anderson extrapolation: theta=1.3155066675 (1.3155066675)
-931.41752495
-118.467143 69.084778 97.240540
560.698372 1031.704039 -409.235867
442.231229 1100.788817 -311.995328
1226.639949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3500010224 (a.u.)
total exchange computation time: 2.7306349277 s
678.64931149
-1082.98072410
89.74119153
-389.68228246
-174.79502056
77.83094229
551.60419304
0.00000000
-931.41752511
4.06103076 -31.51667927 -2.23722966
-0.00001386 -0.00043666 -0.00012724
0.00750184 -0.00511238 -0.00121788
-11.66388714 -1.42821916 -9.41464486
-0.00029219 0.00019422 -0.00010931
0.00404894 0.01974858 -0.00210713
-37.53180358 2.44651192 0.21940011
-0.00000915 0.00008114 0.00001077
0.00037280 0.01076242 -0.00292452
-11.77703018 -4.20543211 4.09177738
-0.00016062 0.00009134 0.00024194
-0.01718313 0.02296708 0.01818742
3.96845683 -4.14016355 8.69468522
-0.00024935 -0.00031705 -0.00042832
0.00198742 -0.00415549 -0.00994726
-32.89028795 -0.26111700 0.14754794
-0.00058918 0.00005906 0.00045945
0.01815773 -0.02964645 -0.00740275
14.27142656 12.49906278 -13.51562536
-0.00024738 0.00019751 -0.00007714
0.02097475 0.01621345 -0.04844824
-7.75012313 6.10050247 2.74212065
0.00000441 0.00015849 0.00028680
0.00978468 -0.00618948 -0.02480574
7.23972948 12.12956355 -6.23762997
-0.00005544 -0.00027102 -0.00032136
0.00283066 -0.01584290 0.01477725
8.84256726 9.85945661 -19.15380740
0.00006401 -0.00028776 -0.00015531
-0.00019396 -0.02689521 -0.00342946
23.18350228 17.35521324 -2.44747023
0.00006947 -0.00003036 -0.00029465
0.02082932 -0.01470367 -0.00996277
2.04920568 16.91255350 -19.63270155
-0.00021474 0.00031031 0.00011497
-0.00311902 -0.01507276 -0.03667038
14.02783182 -0.91193360 -5.79377908
0.00004936 -0.00014747 0.00007587
-0.01285683 -0.02540059 0.01931804
-16.14098277 -1.45098420 3.20191365
-0.00007474 -0.00011438 -0.00003328
0.01707530 0.01251083 0.00778535
-16.03157909 -2.33989367 18.75299668
0.00024886 -0.00017821 -0.00013919
-0.01446247 -0.00968758 -0.01597067
0.43634536 2.13970208 -4.62579019
-0.00007631 0.00001406 0.00014562
0.00114420 0.02035213 -0.01417621
22.73897221 -7.10816873 -8.81289162
0.00001350 -0.00002247 -0.00000226
0.01325918 0.00831219 0.00522520
-0.77225149 -6.41838862 7.30207810
-0.00013840 -0.00021382 -0.00000581
0.00267067 0.00300498 -0.01042998
-1.80231803 -1.41515882 -19.33879930
0.00000991 -0.00002546 0.00007661
0.00055341 -0.01798664 -0.01709915
3.09685922 1.60378899 -9.21859668
-0.00026800 -0.00005075 0.00018268
-0.03001153 0.01560854 0.03022780
-3.53241629 17.72231105 12.35516959
0.00040295 -0.00003673 0.00015009
-0.01630149 0.03142030 0.02522095
-3.91150100 5.19918768 -11.29688768
-0.00017411 0.00020848 -0.00022676
-0.01319170 0.02960076 0.01728182
-7.87798718 2.71391843 -8.87320463
0.00020080 0.00005790 -0.00008901
0.01799624 0.00016253 -0.00768388
2.52129246 27.54747297 9.02907529
0.00011281 0.00006867 0.00047268
0.01395091 -0.01646357 -0.02408285
9.36413243 -6.26814187 -1.71463281
-0.00025635 -0.00009102 0.00018349
0.00022880 0.01021451 0.00100042
-8.66215520 0.70631192 6.23026068
0.00014381 -0.00010357 0.00012639
0.02921086 -0.00353681 -0.00657492
20.53962225 10.96346220 8.68959924
0.00007360 0.00024654 -0.00017634
-0.00881459 0.01027121 -0.00103353
-1.95012126 -2.22935583 -27.62672357
0.00001850 0.00000928 -0.00010785
-0.04306309 0.03337668 0.00081318
-14.11355016 6.15731454 8.10823137
0.00033661 -0.00006036 0.00021001
0.00295123 0.00364378 -0.00702643
-9.73699907 7.22285811 -1.95629863
-0.00022837 -0.00001204 0.00040270
-0.01438290 -0.01344477 0.02106680
-1.79194137 -15.04719937 23.00274850
-0.00023942 0.00023320 -0.00050904
0.01789697 -0.01469511 -0.01788878
-2.77683853 6.25348837 -6.05642301
-0.00004414 -0.00020545 0.00012351
-0.01779818 -0.00604493 0.00404437
-20.48101685 30.05580112 4.23507493
-0.00053341 -0.00050986 0.00015889
0.01447999 -0.01119133 -0.02860722
7.79135784 0.70170514 7.46241462
0.00022022 0.00041504 -0.00014400
0.01192620 -0.00577442 0.01560482
5.81263249 11.09182316 -13.42222241
0.00021731 -0.00057463 0.00007979
0.02216816 0.02314514 0.00125893
15.63842993 2.86622707 -1.59333383
0.00013820 0.00030746 0.00033311
-0.00033690 -0.01095975 0.01541302
-4.45361548 12.97476963 -0.77077027
0.00003790 -0.00039170 0.00004577
0.01464193 0.00030256 -0.01977275
4.77352808 12.59359899 2.46109286
-0.00003929 0.00012582 -0.00025979
0.05213684 0.00797441 0.02236072
25.02081067 -11.43204177 -9.78625236
-0.00015562 0.00018164 0.00027357
-0.00004706 0.00363235 -0.00129951
16.94560436 -3.40721656 -0.77894257
0.00040184 0.00041635 -0.00011704
0.02277031 0.01581313 -0.01818101
13.53767933 7.76312238 10.28161848
0.00025222 -0.00031497 0.00008588
-0.00271779 0.00695298 -0.01366280
1.80761097 -14.01576140 17.51814311
0.00025901 0.00007155 -0.00007392
-0.00682929 -0.02535062 -0.02197587
-3.63663354 -0.69968822 -14.15666194
0.00017637 -0.00006422 0.00005889
-0.03256123 0.01390636 0.06077513
14.98860492 -7.60188865 -8.84220074
0.00023013 -0.00017117 -0.00007249
0.03429387 0.01639449 0.01639931
8.38849012 -6.89151832 8.98923245
0.00006467 0.00031613 0.00013734
0.01831886 -0.00184958 0.00067410
-21.10967554 2.42939923 22.89415409
0.00006102 0.00031165 0.00007489
0.01504274 0.01379046 -0.03398696
25.74862242 -3.07016242 -8.24807324
0.00013049 0.00015360 -0.00007146
0.01413398 0.01164967 0.00600135
9.93944019 -13.92939667 -8.58637257
0.00006706 -0.00006869 -0.00037815
-0.00307775 -0.03803908 0.01824822
-6.67274527 -12.25676152 16.97122074
0.00008430 0.00029289 -0.00005537
0.00888770 0.00557900 0.02013617
7.44191230 2.76021542 -29.33083886
-0.00044570 -0.00046278 -0.00003885
0.02313871 0.00043428 0.00439152
10.98283636 15.79935154 15.45269010
-0.00031359 0.00029833 0.00003457
0.02878739 -0.01680832 -0.02348753
28.83770195 6.41062586 -3.47465212
0.00012027 0.00024852 -0.00002134
-0.00256402 -0.01133234 -0.01724763
5.21625479 -32.17785223 -3.54589235
-0.00055168 -0.00028917 -0.00038634
-0.00588683 0.00688240 0.00429640
4.83506137 -31.74632814 -0.51798381
-0.00037900 -0.00068301 -0.00018168
-0.00844285 0.00504692 -0.01941096
-12.27895581 -3.10899508 -9.51089843
-0.00079110 -0.00016418 -0.00099504
-0.00845853 -0.01769896 -0.00206725
-12.05673065 -0.53411366 -10.96280064
0.00029141 0.00038901 -0.00079570
-0.00192998 -0.00765282 0.00146227
-38.95376162 2.43272166 1.37538757
0.00026444 0.00028839 -0.00025786
0.00232249 -0.00406342 -0.00582477
-37.82483098 3.89641068 -0.87925760
0.00017983 0.00101995 -0.00082328
0.00012540 0.00161826 -0.00351209
-10.84649269 -5.44245330 3.21427882
0.00015653 -0.00069876 -0.00025973
0.01551112 -0.02598757 -0.01181440
-10.55805368 -2.88583394 4.40082918
0.00024701 0.00020317 0.00101879
-0.00082425 0.00749846 0.00035111
4.08057876 -2.34670161 8.44924456
-0.00026267 0.00074372 0.00001155
0.00265923 0.00602044 -0.00609987
3.62797841 -4.24555878 10.46606303
0.00012632 -0.00042502 -0.00037385
-0.00053698 -0.00228305 0.02139174
-34.54486459 -0.97239098 0.25274008
-0.00054785 0.00064359 0.00041851
-0.00745006 -0.00792012 0.00310773
-33.30728181 1.44619278 0.19573688
-0.00094897 0.00058299 -0.00098802
-0.01038437 0.03876597 0.00351894
13.20963218 13.14771081 -14.96921742
-0.00001051 0.00004967 0.00147625
0.02442853 -0.01349633 0.02072513
16.04474238 12.42616753 -14.28489644
0.00065129 -0.00058263 -0.00071976
-0.03893812 0.00012176 0.01847904
-7.97730213 7.63575350 1.72279162
0.00076023 -0.00019155 -0.00052563
-0.00115545 -0.01429528 0.00522324
-7.35884000 4.77628111 1.41305201
0.00011709 -0.00088572 -0.00063316
-0.00399728 0.01928286 0.02168646
6.27438563 12.35135572 -7.73682975
-0.00028509 -0.00028784 -0.00064488
-0.01002301 0.00232585 -0.01092053
8.56588432 13.38946133 -6.24315023
-0.00034366 0.00045517 0.00034343
0.01443530 0.01690849 -0.00784885
8.92017254 8.23006212 -20.00971076
0.00021719 -0.00090525 0.00010547
-0.00635502 0.00893320 0.00557149
10.58967595 10.41085239 -19.10651187
0.00058896 0.00030925 0.00066104
0.00261445 0.01356706 -0.00101018
24.28317100 15.85538214 -2.82364064
0.00012956 0.00057291 -0.00007282
-0.01073258 0.00849584 0.00354095
24.22013408 18.75576551 -3.04929776
0.00104692 -0.00030652 0.00007104
0.00609733 -0.00547071 0.00983108
1.53015935 16.81932841 -21.53423509
0.00005485 -0.00048982 -0.00033781
0.01305161 0.00704772 0.04049939
3.35611588 15.56112570 -19.45000112
0.00002390 -0.00077367 -0.00007287
-0.01391874 0.01570901 -0.00073012
13.19913530 -1.92397047 -7.07811862
0.00113230 -0.00024571 -0.00024011
0.00206906 -0.00138414 -0.00867887
12.72678943 -1.07480433 -4.49617851
-0.00084568 0.00011497 -0.00020162
0.01161272 0.00837621 0.00223044
-17.85102697 -1.94449160 3.33971926
-0.00078269 -0.00098586 0.00088924
-0.01845843 -0.01581850 -0.00370480
-15.11259426 -2.94176073 3.01568026
-0.00046186 -0.00039995 0.00103205
0.00270973 -0.00689459 0.00363356
-15.99054292 -0.64546326 19.30574797
0.00166318 -0.00009600 -0.00085110
-0.00047728 0.02644489 0.00860386
-14.78527930 -3.17710850 19.74702297
0.00084716 -0.00056939 -0.00005088
0.00992400 -0.01612342 0.00452359
-0.19479093 0.44781216 -5.06196559
-0.00018707 0.00064852 -0.00002907
-0.01480378 0.00591984 0.00155705
-0.80574051 3.50278063 -5.12412950
0.00040158 0.00043705 -0.00003082
0.00764462 -0.02345399 0.00894394
23.91451955 -8.47618271 -9.19998787
0.00032618 -0.00052826 0.00000419
-0.00835008 -0.01312137 0.00118176
23.86351833 -5.79592971 -8.14491045
-0.00055456 0.00068293 0.00035891
-0.00847464 0.00197514 -0.00523865
-0.55759772 -6.16250774 5.47774310
-0.00016512 0.00047619 0.00008334
0.00626824 0.00086108 0.01227134
0.89038110 -6.06410239 8.05206552
0.00026229 0.00116809 -0.00097532
-0.01127817 0.00192128 -0.01013730
-0.21997870 -2.37156546 -19.54515992
-0.00070368 0.00012789 0.00006614
-0.01433114 0.00270418 0.00489162
-2.98560142 -2.27410100 -20.54246274
0.00051502 -0.00088255 -0.00080572
0.01875197 0.01106979 0.01112101
2.88228663 3.07795715 -10.26314872
-0.00003876 -0.00039620 -0.00073404
-0.00210535 0.00609117 -0.02060551
1.85154408 1.92527728 -7.75978332
0.00052815 0.00063225 0.00007058
0.02613865 -0.00595375 -0.01633135
-2.12487358 16.59759179 12.41478421
-0.00059775 0.00041168 -0.00008383
0.02248941 -0.02190188 -0.00867878
-3.12841382 18.67001887 13.96082600
0.00114132 0.00078675 -0.00028464
-0.00969254 -0.00346429 -0.01591980
-5.56140203 6.20902993 -11.36506863
0.00054038 -0.00061182 -0.00150913
0.02369052 -0.02712768 -0.01030196
-3.83896556 3.73016498 -12.35715070
0.00048653 0.00128234 0.00046242
-0.00840068 0.00070879 -0.00721728
-7.95483532 1.19018387 -7.80730326
-0.00079130 -0.00065417 0.00010308
-0.00348470 0.01504450 0.00121718
-6.05369468 2.94587628 -9.12997851
-0.00089235 -0.00042623 0.00082271
-0.01874778 0.00406609 -0.00003405
2.90820760 27.30614524 7.19139100
-0.00059791 -0.00069491 -0.00018207
-0.01172571 0.00798448 0.03018199
1.40594430 28.96286940 9.07206565
0.00043632 0.00002639 -0.00012453
-0.00914309 0.00653538 0.00025892
10.48864086 -6.92004965 -0.43552227
-0.00074177 0.00089543 -0.00004810
-0.00004435 -0.00710171 0.00191164
8.24418859 -7.60575125 -2.22946623
-0.00011056 0.00001115 0.00090967
0.00046317 -0.00084755 0.00319307
-7.20970706 -0.05587743 7.15879062
-0.00087681 -0.00016478 0.00080972
-0.01259156 0.01018825 -0.00791608
-10.16282560 0.56970224 7.18742022
-0.00036231 -0.00045274 0.00071824
-0.01703648 -0.01093682 0.01511544
20.90010186 11.23864064 10.47700717
-0.00049910 0.00035398 0.00014900
0.00093712 -0.00296922 -0.01096084
20.44345951 12.70230203 7.97224426
0.00074221 -0.00061069 -0.00029104
0.01149972 -0.01074862 0.00982332
-1.00809058 -3.54041388 -26.84702586
-0.00018783 -0.00175508 -0.00092699
0.00789865 -0.02386900 0.01669071
-3.36917498 -1.80134051 -26.43267673
-0.00014015 0.00041732 -0.00006523
0.02144944 -0.01260424 -0.01914183
-13.48197184 6.79413480 9.70718986
-0.00028265 -0.00039939 0.00086816
-0.00841264 0.00204877 -0.00189852
-15.17147194 7.51575155 7.42079093
0.00059582 0.00054961 0.00089793
0.00913826 -0.00699816 0.01207360
-11.55540473 7.53420269 -1.86440740
-0.00048589 -0.00095881 0.00033187
0.01332015 -0.00031637 -0.01539670
-8.95410855 8.05574770 -3.36201858
-0.00067731 -0.00006049 0.00068923
-0.00206815 0.01573709 -0.01513691
-0.87423288 -16.62764403 22.38044913
0.00008092 0.00048225 -0.00017662
-0.02529893 0.01913098 0.01805158
-3.44605828 -15.43877761 23.66798040
0.00171015 0.00051648 -0.00034725
0.00421822 -0.01034432 -0.00147299
-2.98214651 6.03500443 -7.91479106
-0.00075629 -0.00081288 0.00021671
-0.00758180 0.00228409 0.01605275
-4.46440939 6.59570540 -5.22685539
-0.00000478 0.00018451 0.00073156
0.03224184 -0.00298626 -0.02677430
-21.82945251 29.77592023 2.94306006
0.00069548 -0.00014779 -0.00002022
0.00638334 -0.00027589 0.00858068
-21.29392415 31.00120454 5.48343043
0.00057292 -0.00001891 -0.00040877
-0.01778986 0.01942337 0.02686432
7.16988345 -0.18593427 5.91555478
0.00057250 0.00088984 0.00059369
-0.00622405 0.02255798 0.00630770
7.08909215 2.33832335 7.97499564
-0.00056756 0.00007537 -0.00044890
0.00022675 -0.01193311 -0.01928416
6.92655423 12.57180389 -12.86558498
0.00009561 -0.00078088 0.00012930
-0.00441708 -0.01970045 -0.00714045
5.16735172 11.90792528 -14.89842411
-0.00009027 0.00037269 -0.00114999
-0.01073405 -0.00310943 -0.01232829
14.25900135 3.97474020 -1.98374818
0.00010155 0.00036446 0.00036965
-0.00876806 0.01136052 -0.01099304
14.77577104 1.28753883 -1.19533062
-0.00024241 -0.00034501 0.00087056
0.00737929 0.00407885 -0.00462568
-3.00167130 12.04096753 -0.18206269
0.00002176 -0.00091809 -0.00030071
-0.00394171 0.00069354 0.00130546
-5.75510778 12.89477152 0.49914303
-0.00088318 -0.00010378 -0.00070913
-0.00783089 -0.00427104 0.01099689
3.30280954 11.64734153 2.35406861
0.00077562 0.00007972 -0.00041668
-0.03572856 -0.03201830 0.00628729
6.18963872 11.41398273 3.03298354
-0.00029062 0.00059035 -0.00050971
-0.01499022 0.01607913 -0.01218399
25.24658976 -12.82320819 -8.62855122
0.00025164 -0.00020949 -0.00112546
-0.00004289 0.00115766 -0.00135206
26.09537146 -11.52599463 -11.35684706
-0.00155763 -0.00074605 0.00089093
-0.00461861 -0.00709381 0.01490077
15.91259391 -2.82851696 0.52896727
0.00015036 -0.00000827 0.00024134
-0.02778512 0.00988400 0.02031432
16.85454843 -5.18994585 -0.73108016
-0.00028821 -0.00015756 0.00010806
0.00239388 -0.02727802 -0.00091696
12.17361613 8.13007043 11.50632763
0.00139760 -0.00021650 -0.00024375
0.00919136 -0.00646688 0.00465295
13.69625807 9.42046609 9.44624609
0.00147347 -0.00047571 -0.00057927
0.00611383 -0.00643374 0.00445182
0.04354514 -14.66653885 17.25526586
0.00036496 0.00006658 -0.00047161
0.01733139 0.01582853 0.00755969
1.93868271 -12.78353818 18.80690733
0.00074035 0.00011072 0.00041182
-0.00961354 0.01674262 0.01180757
-3.67737107 -1.65463807 -12.52451208
0.00059079 0.00054418 0.00099509
-0.00155412 0.01184869 -0.01843859
-2.68250701 -1.79320843 -15.11853416
0.00056368 0.00035816 0.00096016
0.02669649 -0.02630153 -0.03808608
14.69765557 -7.97605348 -10.56584391
-0.00066498 0.00000762 0.00014354
-0.01311591 -0.01559786 -0.02613166
16.39333996 -6.26046405 -9.06682968
-0.00057871 -0.00106070 -0.00014819
-0.01105965 -0.01079256 0.00840687
7.08811549 -5.60831233 8.70781175
-0.00012544 0.00107460 0.00080057
0.00526427 0.00214988 -0.00641575
9.90842869 -6.56606950 7.96329224
0.00069775 0.00013619 -0.00006434
-0.02564390 0.00520916 0.00667400
-20.96873444 2.13210171 21.00877630
0.00073832 0.00003261 0.00042805
-0.00894697 0.00207627 0.03001385
-22.33209393 1.27541814 23.59118297
-0.00012756 -0.00089081 -0.00095288
-0.00951895 -0.00858336 -0.00027281
26.99380628 -2.80991562 -6.89211677
0.00059014 0.00021011 -0.00036337
-0.00445441 -0.00655904 -0.00575159
25.59957972 -1.33861418 -8.98686245
0.00056443 -0.00004707 -0.00005508
-0.00368241 -0.01458559 0.00580445
9.99620542 -15.65482700 -7.77790780
-0.00025280 0.00022858 0.00037748
-0.00290059 0.03335133 -0.01502955
9.19534048 -12.79573195 -7.33138770
-0.00074692 -0.00001239 -0.00085529
-0.00222611 0.00061730 -0.00356524
-5.75341858 -11.31752938 18.31069727
0.00057823 0.00030086 0.00080117
-0.00937698 -0.00453850 -0.01280695
-6.73479418 -11.11905036 15.54144959
0.00004959 0.00019909 -0.00003575
-0.00079643 0.00195736 -0.00092842
8.89963072 1.58675847 -29.50497016
0.00073775 0.00038918 -0.00010232
-0.02868751 0.00947208 -0.00508340
5.90755873 2.25023094 -30.26983233
0.00028488 -0.00103050 -0.00011869
0.01287817 -0.00697357 0.00367748
12.79329165 15.18084398 14.64166151
0.00009201 0.00088672 0.00001176
-0.03876766 0.01392081 0.00499129
11.54649928 16.24213511 17.09820908
0.00050671 0.00061926 0.00097501
-0.00670566 0.00477490 0.01875901
29.00479900 5.25901615 -4.95926052
-0.00020730 0.00034371 -0.00021150
0.01131572 0.00047683 0.01574341
27.13644977 7.00513501 -3.85964047
0.00056074 0.00020226 0.00008807
-0.00478840 0.00534040 0.00739375
-9.95230853 5.08452149 6.42763886
0.00001714 0.00029334 -0.00017452
0.00255076 0.00125991 0.00525076
-8.87166721 13.37572741 2.61351664
-0.00013592 0.00001395 0.00004919
0.00022735 -0.00275132 0.00392784
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09412864
0.32339647
430.90958834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3452407731 (a.u.)
total exchange computation time: 2.7303280830 s
-153.9848469567
-931.41904620
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3452326862 (a.u.)
total exchange computation time: 2.7321949005 s
-153.9861335976
Anderson extrapolation: theta=1.3534110587 (1.3534110587)
-931.41922879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3451300239 (a.u.)
total exchange computation time: 2.7310268879 s
-153.9887232266
Anderson extrapolation: theta=0.0511494869 (0.0511494869)
-931.41933748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3450518293 (a.u.)
total exchange computation time: 2.7310631275 s
-153.9895422400
Anderson extrapolation: theta=1.8903765540 (1.8903765540)
-931.41934130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3448812515 (a.u.)
total exchange computation time: 2.7316639423 s
-153.9912418683
Anderson extrapolation: theta=0.2095218723 (0.2095218723)
-931.41934509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3448379793 (a.u.)
total exchange computation time: 2.7325699329 s
-153.9916178556
Anderson extrapolation: theta=1.8700999529 (1.8700999529)
-931.41934578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3447719350 (a.u.)
total exchange computation time: 2.7305479050 s
-153.9921545935
Anderson extrapolation: theta=0.2840816935 (0.2840816935)
-931.41934661
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3447682586 (a.u.)
total exchange computation time: 2.7333078384 s
-153.9921486096
Anderson extrapolation: theta=1.3381299776 (1.3381299776)
-931.41934682
-118.488556 69.074093 97.273343
560.742339 1031.697593 -409.229401
442.253783 1100.771686 -311.956058
1226.622719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3447741038 (a.u.)
total exchange computation time: 2.7309288979 s
678.55698571
-1082.80207614
89.75511309
-389.80452202
-174.78007353
77.73072862
551.60419304
0.00000000
-931.41934699
4.06085177 -31.52324890 -2.23914289
-0.00001047 -0.00043915 -0.00012784
0.00569695 -0.00455215 -0.00115189
-11.66825443 -1.42522963 -9.41629262
-0.00029075 0.00020364 -0.00011140
0.00158311 0.01685287 -0.00600786
-37.53193942 2.44777061 0.21955031
-0.00000856 0.00008835 0.00000746
0.00192033 0.01726654 -0.00992474
-11.77950574 -4.20397344 4.09547656
-0.00016778 0.00010223 0.00025042
-0.01066115 0.01938327 0.01481180
3.96472423 -4.14493537 8.68822207
-0.00024815 -0.00031713 -0.00043362
0.00269498 0.00386884 -0.01066769
-32.89905557 -0.26034552 0.15441119
-0.00057970 0.00004567 0.00045568
0.01868428 -0.02241624 -0.00727526
14.26779669 12.50208798 -13.51696939
-0.00023424 0.00020492 -0.00010086
0.03014644 0.01258180 -0.04379296
-7.75001924 6.10285591 2.74632700
0.00000979 0.00015413 0.00027270
0.01112611 -0.01075562 -0.03002828
7.23890885 12.12543720 -6.24239344
-0.00005408 -0.00027867 -0.00031446
0.00242687 -0.01391692 0.01206737
8.84352672 9.85503653 -19.15615028
0.00006497 -0.00030169 -0.00015730
0.00392303 -0.02731076 -0.00432910
23.18462470 17.35470106 -2.45192847
0.00008024 -0.00003713 -0.00029982
0.02103552 -0.01162405 -0.01011578
2.04597257 16.91714998 -19.63111840
-0.00021544 0.00030134 0.00009580
0.00037814 -0.01980530 -0.03788035
14.02852258 -0.91424357 -5.79256647
0.00004247 -0.00016025 0.00008646
-0.01391477 -0.02430762 0.02184004
-16.14203797 -1.45265171 3.20144444
-0.00006834 -0.00010855 -0.00002915
0.00778998 0.01018130 0.00828412
-16.02790201 -2.34260412 18.75084720
0.00024239 -0.00018395 -0.00014661
-0.01069506 -0.01264055 -0.01287329
0.43520518 2.13999150 -4.62366052
-0.00007543 0.00002531 0.00013850
0.00226498 0.02340658 -0.01351190
22.73922582 -7.10847368 -8.81290539
0.00002106 -0.00001863 0.00000040
0.01615418 0.00659449 0.00511206
-0.77431725 -6.42158429 7.30195067
-0.00013643 -0.00021200 -0.00001120
0.00499906 0.00405965 -0.01052238
-1.80216730 -1.41561004 -19.33771606
0.00000871 -0.00003466 0.00006717
-0.00521114 -0.01779521 -0.01962807
3.09272341 1.60308791 -9.21573986
-0.00028297 -0.00004239 0.00019735
-0.02820117 0.01692403 0.02681591
-3.52643498 17.72188130 12.35751828
0.00039314 -0.00001900 0.00016306
-0.02182946 0.03751832 0.02521121
-3.91416359 5.20242903 -11.30022247
-0.00018001 0.00022505 -0.00021651
-0.00974966 0.03483640 0.02259757
-7.87490571 2.71478751 -8.87456938
0.00020761 0.00005670 -0.00009197
0.00847338 -0.00481930 -0.00383870
2.52303847 27.54843951 9.03607261
0.00012039 0.00005972 0.00045945
0.01550048 -0.01832548 -0.02736343
9.36028802 -6.26946773 -1.71187656
-0.00025677 -0.00008470 0.00018309
-0.00184963 0.01436154 -0.00257950
-8.65988533 0.70474479 6.23213117
0.00015666 -0.00010539 0.00012395
0.02076517 -0.00355243 -0.00290482
20.54069220 10.96719994 8.68695021
0.00006920 0.00025062 -0.00017601
-0.00827265 0.00560658 0.00229474
-1.95000987 -2.22908791 -27.62833822
-0.00000280 0.00002522 -0.00010667
-0.03976864 0.02861542 0.00378452
-14.10848966 6.15642324 8.11135439
0.00033821 -0.00005819 0.00020689
0.00328230 0.00478334 -0.00508745
-9.74048008 7.22262560 -1.95017683
-0.00023618 -0.00001935 0.00041410
-0.01598608 -0.01495831 0.02324666
-1.79546358 -15.04375805 22.99504391
-0.00022700 0.00022666 -0.00051952
0.03038901 -0.01072625 -0.02288766
-2.77756927 6.25038324 -6.05455483
-0.00005355 -0.00020849 0.00012568
-0.01881008 -0.00577519 0.00441337
-20.48896213 30.04811011 4.23734798
-0.00052434 -0.00051628 0.00014401
0.02078898 -0.01379546 -0.02926142
7.79470711 0.70790849 7.46031478
0.00022675 0.00041260 -0.00013494
0.01345801 -0.00373509 0.01963786
5.81597762 11.08329304 -13.42102075
0.00022739 -0.00056155 0.00007773
0.01704477 0.02771036 -0.00926916
15.64050163 2.87079663 -1.58827765
0.00013724 0.00030065 0.00034142
-0.00340061 -0.01552129 0.01687404
-4.45299044 12.96889532 -0.77016002
0.00004543 -0.00039158 0.00003560
0.01462299 0.00016064 -0.01977952
4.77313990 12.59551709 2.45728229
-0.00001194 0.00013105 -0.00024836
0.05421419 0.01233545 0.02208127
25.01847624 -11.42930317 -9.78215377
-0.00015643 0.00018404 0.00027341
-0.00310062 0.00571693 0.00066281
16.95171986 -3.40091027 -0.78076830
0.00041293 0.00042314 -0.00012562
0.02034762 0.01058083 -0.01520358
13.54145211 7.75842465 10.28285401
0.00025229 -0.00031139 0.00007746
0.00298528 0.00697683 -0.01910251
1.81146978 -14.01478592 17.51694958
0.00025579 0.00005921 -0.00008458
-0.00567755 -0.02265936 -0.01947138
-3.63411356 -0.70059792 -14.15554421
0.00015901 -0.00005658 0.00009139
-0.03495189 0.01583049 0.06562536
14.99218909 -7.60439292 -8.84322490
0.00024673 -0.00016349 -0.00006388
0.03026929 0.01344704 0.01709477
8.38953080 -6.88678350 8.99129521
0.00007420 0.00031585 0.00013717
0.01873922 0.00074776 -0.00136788
-21.10870217 2.43412715 22.89514629
0.00006795 0.00031797 0.00005813
0.01188696 0.01079578 -0.03116408
25.75063433 -3.06781346 -8.24912203
0.00013800 0.00015927 -0.00006817
0.01507679 0.01038551 0.00679650
9.94043420 -13.93057375 -8.59197436
0.00006533 -0.00008816 -0.00036857
-0.00364777 -0.03768684 0.01900642
-6.67144649 -12.25234672 16.97046793
0.00008944 0.00029614 -0.00004393
0.01110800 0.00707388 0.02432582
7.43531609 2.75327535 -29.33140462
-0.00043275 -0.00046261 -0.00003620
0.02720025 0.00021838 0.00588232
10.97824353 15.80376171 15.45311806
-0.00029769 0.00029039 0.00002481
0.03304776 -0.01407274 -0.01447180
28.83949617 6.41431000 -3.47503872
0.00011969 0.00024231 -0.00003013
0.00030026 -0.01280881 -0.01694573
5.20779925 -32.18197884 -3.55155585
-0.00057306 -0.00026226 -0.00037014
-0.00458052 0.00629074 0.00363405
4.82911760 -31.75641866 -0.52130377
-0.00041154 -0.00066252 -0.00026038
-0.00748297 0.00498332 -0.01911545
-12.29108154 -3.11200019 -9.52588731
-0.00082173 -0.00022681 -0.00100235
-0.00653156 -0.01295841 -0.00151241
-12.05241866 -0.52851304 -10.97469140
0.00028514 0.00035437 -0.00078264
-0.00113910 -0.00930498 0.00493125
-38.94972380 2.43692305 1.37134123
0.00026890 0.00027186 -0.00027790
-0.00014304 -0.00403006 -0.00398640
-37.82212975 3.91175956 -0.89171436
0.00018229 0.00101332 -0.00082733
0.00108341 -0.00486467 0.00152820
-10.84366943 -5.45373105 3.21002088
0.00021152 -0.00079167 -0.00029866
0.01140475 -0.01949208 -0.00724255
-10.55437376 -2.88255658 4.41612173
0.00023913 0.00022751 0.00101801
-0.00303197 0.00441417 -0.00073235
4.07672025 -2.33536133 8.44923093
-0.00025285 0.00075246 -0.00001138
0.00214717 -0.00174279 -0.00512585
3.62985676 -4.25200410 10.46111083
0.00012375 -0.00043462 -0.00028651
-0.00072204 -0.00241291 0.02135862
-34.55331070 -0.96297980 0.25911297
-0.00058265 0.00060867 0.00043210
-0.00958283 -0.00917406 0.00354439
-33.32183452 1.45612556 0.18102446
-0.00098805 0.00072933 -0.00097457
-0.00874935 0.03286741 0.00306220
13.21022310 13.14804234 -14.94643856
0.00008074 -0.00000014 0.00154803
0.02024047 -0.01088702 0.01441273
16.05331850 12.41743188 -14.29512652
0.00048236 -0.00058034 -0.00064027
-0.04375206 0.00099694 0.02042779
-7.96593411 7.63244223 1.71506719
0.00075490 -0.00024972 -0.00050314
-0.00145213 -0.01417931 0.00578713
-7.35720609 4.76358618 1.40421913
0.00009887 -0.00079809 -0.00053489
-0.00492260 0.02361146 0.02641743
6.26980221 12.34710944 -7.74683760
-0.00032161 -0.00027852 -0.00068332
-0.00785567 0.00223481 -0.00789557
8.56117181 13.39680705 -6.23823923
-0.00028835 0.00052057 0.00031062
0.01264015 0.01510394 -0.00821444
8.92323559 8.21675711 -20.00795803
0.00019244 -0.00086284 0.00013108
-0.00575832 0.01182573 0.00696420
10.59859043 10.41590683 -19.09662730
0.00058988 0.00036000 0.00065556
-0.00216083 0.01127784 -0.00167102
24.28478557 15.86423618 -2.82462448
0.00008787 0.00060168 -0.00005942
-0.00967435 0.00558643 0.00302147
24.23602471 18.75100005 -3.04793088
0.00106870 -0.00032929 0.00011203
0.00456524 -0.00567281 0.01023480
1.53138203 16.81219709 -21.53806117
0.00010772 -0.00045911 -0.00016948
0.01283012 0.00798443 0.04190031
3.35604788 15.55000206 -19.45111660
-0.00003957 -0.00070169 -0.00007581
-0.01715133 0.01952630 -0.00070801
13.21618318 -1.92769847 -7.08198624
0.00113869 -0.00025372 -0.00027643
0.00105832 -0.00254049 -0.00910160
12.71446010 -1.07282312 -4.49913446
-0.00079456 0.00014908 -0.00019731
0.01341013 0.00832299 -0.00012014
-17.86333296 -1.95976421 3.35294427
-0.00084105 -0.00104474 0.00087261
-0.01010818 -0.01300578 -0.00443414
-15.11943914 -2.94797127 3.03127239
-0.00044900 -0.00042863 0.00104662
0.00358489 -0.00714466 0.00349928
-15.96560978 -0.64609297 19.29324514
0.00166101 0.00001296 -0.00081605
-0.00058782 0.02689613 0.00855312
-14.77226774 -3.18614337 19.74639839
0.00087980 -0.00063040 -0.00003854
0.00605013 -0.01374375 0.00151596
-0.19805066 0.45772138 -5.06235391
-0.00024902 0.00066659 -0.00002411
-0.01551832 0.00292254 0.00086880
-0.79948250 3.50861761 -5.12431775
0.00043241 0.00034099 0.00000596
0.00744620 -0.02356393 0.00906132
23.91915644 -8.48450875 -9.19988875
0.00028768 -0.00057368 0.00001172
-0.01049975 -0.00911116 0.00250295
23.85494022 -5.78562519 -8.13968727
-0.00059002 0.00068649 0.00033536
-0.00888439 -0.00023182 -0.00629057
-0.55988250 -6.15533853 5.47936917
-0.00014133 0.00047916 0.00013233
0.00538027 0.00059241 0.01171083
0.89396988 -6.04652211 8.03712512
0.00021357 0.00117462 -0.00101554
-0.01257281 0.00127191 -0.00955343
-0.23097309 -2.36956424 -19.54401792
-0.00075227 0.00013460 0.00008616
-0.00945064 0.00058121 0.00490590
-2.97730153 -2.28700000 -20.55420773
0.00059335 -0.00083306 -0.00075571
0.01959085 0.01315304 0.01335666
2.88164078 3.07220080 -10.27479080
-0.00004715 -0.00037433 -0.00081505
-0.00200575 0.00461489 -0.01904747
1.86026735 1.93457858 -7.75922509
0.00063101 0.00060807 0.00000718
0.02421040 -0.00588009 -0.01470195
-2.13315074 16.60309586 12.41326075
-0.00049364 0.00031196 -0.00011926
0.02847376 -0.02691289 -0.00866151
-3.11159098 18.68171395 13.95606858
0.00110044 0.00077102 -0.00035030
-0.01032028 -0.00423285 -0.01622062
-5.55257037 6.19902136 -11.38802124
0.00062896 -0.00071654 -0.00154922
0.01967210 -0.02413109 -0.00932087
-3.83192499 3.74942184 -12.35043563
0.00045391 0.00126806 0.00042091
-0.00757046 -0.00769827 -0.01309814
-7.96681163 1.18083239 -7.80571978
-0.00080433 -0.00058490 0.00010316
-0.00289071 0.01886336 -0.00118001
-6.06765440 2.93960738 -9.11763892
-0.00095073 -0.00040743 0.00081996
-0.00982908 0.00514036 -0.00131273
2.89887968 27.29596628 7.18958488
-0.00064607 -0.00066142 -0.00005275
-0.01185102 0.00840805 0.03311755
1.41220889 28.96346555 9.07020566
0.00039623 0.00005608 -0.00012284
-0.01047800 0.00799674 0.00056645
10.47751294 -6.90683581 -0.43618526
-0.00073410 0.00086211 -0.00003127
0.00379952 -0.00920987 0.00632752
8.24254439 -7.60561002 -2.21572333
-0.00011238 0.00000341 0.00092090
-0.00135549 -0.00293942 0.00230392
-7.22324504 -0.05803700 7.17069379
-0.00092242 -0.00012509 0.00077862
-0.00973619 0.00924222 -0.00730751
-10.16878225 0.56257599 7.19865694
-0.00042067 -0.00049498 0.00077092
-0.01153035 -0.00974164 0.01067590
20.89264407 11.24385939 10.47890627
-0.00049599 0.00034161 0.00010110
0.00058469 -0.00308807 -0.01248723
20.45494512 12.69281237 7.96817961
0.00078830 -0.00064505 -0.00025440
0.01105928 -0.00607257 0.00811278
-1.01066606 -3.56747154 -26.86041920
-0.00016375 -0.00184039 -0.00086388
0.00389091 -0.01789190 0.01419908
-3.37061989 -1.79546693 -26.43424167
-0.00005036 0.00036397 -0.00014421
0.02250155 -0.01351283 -0.01952015
-13.48646931 6.78820678 9.72015408
-0.00031716 -0.00039292 0.00085765
-0.00848504 0.00111537 -0.00324611
-15.16225458 7.52378127 7.43462983
0.00063266 0.00052075 0.00094610
0.00889611 -0.00712979 0.01150570
-11.56228494 7.51981082 -1.85990111
-0.00043043 -0.00095964 0.00026897
0.01383055 -0.00008889 -0.01539395
-8.96433153 8.05532256 -3.35214392
-0.00068327 0.00000656 0.00062234
-0.00084912 0.01708658 -0.01760796
-0.87379426 -16.61982399 22.37835306
-0.00002171 0.00055861 -0.00010387
-0.02494086 0.01824537 0.01755797
-3.42027680 -15.43134736 23.66272650
0.00170101 0.00046779 -0.00034265
-0.00869010 -0.01348875 0.00372513
-2.99372320 6.02288120 -7.91104853
-0.00078696 -0.00080285 0.00028254
-0.00743186 0.00262422 0.01617272
-4.46349309 6.59838150 -5.21670251
0.00012883 0.00017167 0.00062075
0.03316080 -0.00329610 -0.02746360
-21.81882466 29.77369495 2.94301967
0.00071438 -0.00014958 0.00000991
0.00286760 -0.00060152 0.00617112
-21.28587551 31.00151606 5.47812203
0.00049480 0.00006643 -0.00029239
-0.02044816 0.02235362 0.03010524
7.17828023 -0.17189545 5.92465348
0.00054368 0.00097586 0.00061037
-0.00788226 0.01954830 0.00185567
7.08058572 2.33908828 7.96767117
-0.00056610 0.00002820 -0.00052653
0.00048501 -0.01115618 -0.01871360
6.92785297 12.55948693 -12.86386423
0.00007798 -0.00085982 0.00010052
-0.00421285 -0.01893750 -0.00694998
5.16566875 11.91342033 -14.91605172
-0.00012430 0.00034904 -0.00117902
-0.00592629 -0.00846833 -0.00188474
14.26025595 3.98055519 -1.97854032
0.00006632 0.00040971 0.00032482
-0.00847729 0.01079126 -0.01094916
14.77236097 1.28248867 -1.18241402
-0.00020719 -0.00031780 0.00084896
0.00986088 0.00923898 -0.00594761
-3.00146569 12.02721744 -0.18653330
0.00000270 -0.00091426 -0.00029471
-0.00538984 0.00118026 0.00163007
-5.76859549 12.89308401 0.48884313
-0.00091241 -0.00012215 -0.00066476
-0.00647620 -0.00472168 0.01072128
3.31334894 11.64755624 2.34801109
0.00061999 -0.00005683 -0.00039183
-0.04045218 -0.03482550 0.00587593
6.18482011 11.42333071 3.02496459
-0.00034656 0.00065219 -0.00055721
-0.01239371 0.01419023 -0.01106759
25.25036310 -12.82631502 -8.64547463
0.00025120 -0.00021082 -0.00112416
-0.00017574 -0.00180917 0.00199248
26.07186553 -11.53740278 -11.34302655
-0.00156968 -0.00077355 0.00094079
-0.00127987 -0.00636918 0.00950528
15.91399792 -2.82833811 0.53320982
0.00004084 0.00003097 0.00031979
-0.02582840 0.00932202 0.01808830
16.85029856 -5.19314509 -0.72948729
-0.00027719 -0.00025749 0.00010316
0.00300378 -0.02164060 -0.00148580
12.19486184 8.12662471 11.50281396
0.00142555 -0.00023957 -0.00021753
0.00449080 -0.00482450 0.00818063
13.71854743 9.41313327 9.43769345
0.00149573 -0.00050482 -0.00055809
0.00478566 -0.00781351 0.00591613
0.04955065 -14.66505511 17.24842344
0.00043455 0.00013142 -0.00043983
0.01673291 0.01590917 0.00799341
1.94949341 -12.78136437 18.81344648
0.00069957 0.00017341 0.00045411
-0.01035145 0.01394739 0.00889452
-3.66855690 -1.64611222 -12.51015068
0.00058433 0.00059440 0.00091428
-0.00160461 0.01273052 -0.02112150
-2.67323382 -1.78864206 -15.10529879
0.00067792 0.00024466 0.00080022
0.02922949 -0.02925727 -0.04020811
14.68727899 -7.97641713 -10.56449150
-0.00071856 -0.00005634 0.00003614
-0.01311134 -0.01571167 -0.02644275
16.38432035 -6.27670524 -9.06879498
-0.00061692 -0.00109801 -0.00011399
-0.00764052 -0.00747323 0.00833383
7.08639520 -5.59212740 8.71962367
-0.00009811 0.00107767 0.00077432
0.00811240 -0.00065066 -0.00643279
9.91810920 -6.56386700 7.96253161
0.00058617 0.00015732 -0.00003340
-0.02897847 0.00513264 0.00847287
-20.95793374 2.13265450 21.01611681
0.00070255 0.00004161 0.00054691
-0.00856506 0.00232923 0.02816641
-22.33429903 1.26179291 23.57688145
-0.00016092 -0.00092011 -0.00095539
-0.00681242 -0.00575899 -0.00095827
27.00252189 -2.80696503 -6.89774352
0.00057094 0.00018260 -0.00038714
-0.00494231 -0.00690530 -0.00588568
25.60793329 -1.33976712 -8.98751079
0.00054805 -0.00010376 -0.00003256
-0.00433631 -0.01316700 0.00522148
9.99232459 -15.65037626 -7.77270617
-0.00026396 0.00036414 0.00031514
-0.00256621 0.03300253 -0.01548316
9.18406839 -12.79589893 -7.34432623
-0.00075544 -0.00000946 -0.00087011
-0.00194237 0.00081903 -0.00369164
-5.74503240 -11.31315558 18.32232243
0.00053482 0.00027822 0.00074070
-0.01187289 -0.00654319 -0.01679541
-6.73407479 -11.11600399 15.54088492
0.00004689 0.00020814 -0.00003950
-0.00052279 0.00247129 -0.00090662
8.90981787 1.59288643 -29.50666069
0.00061646 0.00042983 -0.00012304
-0.03068270 0.01042666 -0.00506072
5.91222654 2.23455975 -30.27149996
0.00033329 -0.00105982 -0.00010639
0.01082058 -0.00737900 0.00234396
12.79348377 15.19457131 14.64199084
-0.00006773 0.00094243 0.00003275
-0.03942621 0.01335163 0.00528255
11.55389439 16.25157037 17.11340903
0.00047260 0.00063340 0.00103246
-0.00998861 0.00214682 0.00936434
29.00203618 5.26418640 -4.96195063
-0.00016074 0.00034542 -0.00014698
0.01147619 0.00035892 0.01584292
27.14471407 7.00833261 -3.85809279
0.00053499 0.00022649 0.00011736
-0.00781643 0.00651772 0.00694031
-9.95204458 5.08892490 6.42503523
0.00001804 0.00029375 -0.00017263
0.00245933 0.00104915 0.00526578
-8.87370568 13.37593192 2.61426137
-0.00013586 0.00001332 0.00005007
0.00033511 -0.00265916 0.00365653
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09413004
0.32521696
433.33529144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3410876527 (a.u.)
total exchange computation time: 2.7318930626 s
-153.9685240486
-931.41945158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3411618862 (a.u.)
total exchange computation time: 2.7355220318 s
-153.9691435627
Anderson extrapolation: theta=1.3522190904 (1.3522190904)
-931.41963556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3411733820 (a.u.)
total exchange computation time: 2.7328729630 s
-153.9708010388
Anderson extrapolation: theta=0.0508261612 (0.0508261612)
-931.41974513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3411027962 (a.u.)
total exchange computation time: 2.7290380001 s
-153.9715519164
Anderson extrapolation: theta=1.8863470716 (1.8863470716)
-931.41974898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3409469623 (a.u.)
total exchange computation time: 2.7306559086 s
-153.9731147989
Anderson extrapolation: theta=0.2080256541 (0.2080256541)
-931.41975282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3409068228 (a.u.)
total exchange computation time: 2.7327861786 s
-153.9734585066
Anderson extrapolation: theta=1.8773054131 (1.8773054131)
-931.41975351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3408458441 (a.u.)
total exchange computation time: 2.7308259010 s
-153.9739411097
Anderson extrapolation: theta=0.2828779899 (0.2828779899)
-931.41975438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3408431710 (a.u.)
total exchange computation time: 2.7329609394 s
-153.9739233729
Anderson extrapolation: theta=1.3330579211 (1.3330579211)
-931.41975460
-118.510845 69.060768 97.310031
560.782290 1031.690679 -409.221780
442.271446 1100.751447 -311.911749
1226.599657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3408499690 (a.u.)
total exchange computation time: 2.7330069542 s
678.48561623
-1082.67096428
89.76888268
-389.89388343
-174.76855602
77.65683191
551.60419304
0.00000000
-931.41975478
4.06071672 -31.52985364 -2.24106501
-0.00000809 -0.00044131 -0.00012849
0.00356723 -0.00386111 -0.00134233
-11.67260951 -1.42211008 -9.41798673
-0.00029059 0.00021140 -0.00011544
-0.00097138 0.01333253 -0.00971485
-37.53206044 2.44916250 0.21962393
-0.00000712 0.00009875 0.00000065
0.00369882 0.02318377 -0.01657394
-11.78206356 -4.20236524 4.09929001
-0.00017156 0.00011119 0.00025713
-0.00405676 0.01546321 0.01128176
3.96101243 -4.14967734 8.68167663
-0.00024666 -0.00031323 -0.00043912
0.00309942 0.01128082 -0.01072776
-32.90767906 -0.25974697 0.16121830
-0.00057014 0.00003627 0.00045194
0.01850347 -0.01413084 -0.00725851
14.26439940 12.50521024 -13.51865126
-0.00021645 0.00021032 -0.00012181
0.03902255 0.00844887 -0.03765987
-7.74982952 6.10512639 2.75030168
0.00001580 0.00014757 0.00025618
0.01226871 -0.01474791 -0.03420125
7.23810695 12.12120349 -6.24706382
-0.00005288 -0.00028521 -0.00030902
0.00225346 -0.01150824 0.00908916
8.84451644 9.85040576 -19.15852655
0.00006802 -0.00031572 -0.00015968
0.00793469 -0.02722356 -0.00490901
23.18590941 17.35409922 -2.45646474
0.00009103 -0.00004226 -0.00030503
0.02092763 -0.00829542 -0.01017455
2.04274238 16.92159367 -19.62982749
-0.00021445 0.00029010 0.00007618
0.00350151 -0.02391222 -0.03842819
14.02910600 -0.91674107 -5.79118538
0.00003509 -0.00017248 0.00009821
-0.01480936 -0.02324551 0.02385054
-16.14303307 -1.45424068 3.20103914
-0.00006668 -0.00010401 -0.00002474
-0.00133854 0.00745492 0.00887715
-16.02430743 -2.34541209 18.74859842
0.00023790 -0.00019093 -0.00015233
-0.00677668 -0.01449570 -0.00936048
0.43408247 2.14046148 -4.62163508
-0.00007391 0.00003802 0.00013177
0.00363481 0.02598805 -0.01268851
22.73960405 -7.10872776 -8.81287972
0.00003003 -0.00001570 0.00000298
0.01871564 0.00482563 0.00493270
-0.77634445 -6.42474864 7.30174206
-0.00013332 -0.00020965 -0.00001660
0.00711015 0.00508569 -0.01047199
-1.80205677 -1.41619854 -19.33678423
0.00000458 -0.00004362 0.00005655
-0.01084089 -0.01705878 -0.02165915
3.08837003 1.60251741 -9.21267616
-0.00029690 -0.00003330 0.00021003
-0.02595341 0.01840842 0.02250915
-3.52062207 17.72174099 12.36006146
0.00038070 0.00000164 0.00017594
-0.02654306 0.04273807 0.02485160
-3.91690139 5.20593914 -11.30338293
-0.00018398 0.00024416 -0.00020352
-0.00567167 0.03946142 0.02791998
-7.87175886 2.71561941 -8.87596375
0.00020926 0.00005303 -0.00009303
-0.00206528 -0.00944175 -0.00028204
2.52490405 27.54926467 9.04285884
0.00012860 0.00004997 0.00044477
0.01645350 -0.01958534 -0.02971697
9.35642934 -6.27068280 -1.70914021
-0.00025824 -0.00007630 0.00018084
-0.00388788 0.01829939 -0.00617058
-8.65745527 0.70315025 6.23397926
0.00016502 -0.00010718 0.00012338
0.01173448 -0.00342346 0.00069422
20.54169834 10.97098093 8.68431889
0.00006507 0.00025219 -0.00017401
-0.00779537 0.00049781 0.00550056
-1.95020527 -2.22859922 -27.62992368
-0.00002217 0.00003850 -0.00010404
-0.03554272 0.02301358 0.00644605
-14.10340384 6.15556884 8.11443815
0.00034002 -0.00005551 0.00020480
0.00373494 0.00565477 -0.00306511
-9.74408442 7.22227769 -1.94387569
-0.00024463 -0.00002734 0.00042644
-0.01686760 -0.01613388 0.02472930
-1.79875135 -15.04039948 22.98716275
-0.00020812 0.00022235 -0.00053263
0.04300789 -0.00604758 -0.02809088
-2.77844513 6.24723355 -6.05265260
-0.00006329 -0.00021142 0.00012800
-0.01905712 -0.00558733 0.00459665
-20.49674703 30.04031267 4.23939529
-0.00051220 -0.00052378 0.00012923
0.02642423 -0.01537927 -0.02822490
7.79816021 0.71408303 7.45836644
0.00023411 0.00041119 -0.00012375
0.01518117 -0.00172946 0.02387884
5.81945425 11.07497669 -13.41989060
0.00023487 -0.00054634 0.00007045
0.01205209 0.03144561 -0.01901527
15.64254709 2.87524645 -1.58309130
0.00013469 0.00029173 0.00035041
-0.00651880 -0.01914908 0.01807628
-4.45225258 12.96302225 -0.76970237
0.00005281 -0.00039151 0.00002551
0.01408651 0.00009039 -0.01942637
4.77316998 12.59753036 2.45364208
0.00001582 0.00013830 -0.00023716
0.05374206 0.01586324 0.02145870
25.01611789 -11.42652047 -9.77805006
-0.00015887 0.00018752 0.00027443
-0.00641159 0.00781262 0.00331031
16.95799233 -3.39452236 -0.78271132
0.00042257 0.00042719 -0.00013244
0.01713761 0.00515545 -0.01130249
13.54524792 7.75378075 10.28394217
0.00025533 -0.00030787 0.00006619
0.00885332 0.00670794 -0.02471664
1.81528479 -14.01398525 17.51560584
0.00025331 0.00004840 -0.00009380
-0.00399525 -0.01934386 -0.01640388
-3.63186322 -0.70138550 -14.15392021
0.00014082 -0.00004829 0.00012581
-0.03577539 0.01640485 0.06819992
14.99600678 -7.60679345 -8.84411718
0.00026105 -0.00015754 -0.00005519
0.02543659 0.00968798 0.01669062
8.39071606 -6.88204292 8.99334742
0.00008380 0.00031686 0.00013606
0.01858937 0.00320634 -0.00294252
-21.10763709 2.43893836 22.89589808
0.00007317 0.00032269 0.00004304
0.00840574 0.00755513 -0.02753251
25.75276256 -3.06538438 -8.25011839
0.00014595 0.00016418 -0.00006450
0.01583867 0.00872926 0.00749895
9.94140006 -13.93204156 -8.59742953
0.00006329 -0.00010723 -0.00035869
-0.00426809 -0.03644010 0.01938242
-6.67006202 -12.24787735 16.96990278
0.00009562 0.00030009 -0.00003052
0.01293551 0.00828573 0.02782894
7.42892971 2.74633697 -29.33192500
-0.00041785 -0.00046245 -0.00003278
0.03075370 0.00041341 0.00745204
10.97390566 15.80806330 15.45343437
-0.00027973 0.00028386 0.00001961
0.03681087 -0.01132857 -0.00574247
28.84129271 6.41789531 -3.47555604
0.00012055 0.00023541 -0.00003869
0.00301723 -0.01402445 -0.01635818
5.19906298 -32.18571991 -3.55699663
-0.00058883 -0.00023794 -0.00035699
-0.00314009 0.00561313 0.00280277
4.82271523 -31.76620377 -0.52579524
-0.00043977 -0.00064247 -0.00033698
-0.00633782 0.00483140 -0.01837980
-12.30360757 -3.11579948 -9.54096888
-0.00084410 -0.00026924 -0.00100719
-0.00441864 -0.00781206 -0.00085837
-12.04817648 -0.52348268 -10.98627994
0.00028187 0.00031339 -0.00075603
-0.00046191 -0.01075073 0.00809664
-38.94569475 2.44087744 1.36705058
0.00026310 0.00025550 -0.00029030
-0.00269365 -0.00398026 -0.00208223
-37.81936213 3.92681030 -0.90407747
0.00018835 0.00098139 -0.00081164
0.00188301 -0.01076347 0.00614961
-10.84014722 -5.46620340 3.20531906
0.00024945 -0.00085752 -0.00031852
0.00716302 -0.01274153 -0.00247883
-10.55087967 -2.87900869 4.43136940
0.00022235 0.00023937 0.00101273
-0.00518264 0.00139366 -0.00185162
4.07299333 -2.32412786 8.44890316
-0.00024507 0.00073034 -0.00003049
0.00166005 -0.00908582 -0.00423095
3.63169085 -4.25859729 10.45746762
0.00012071 -0.00044455 -0.00020086
-0.00076678 -0.00244968 0.02056903
-34.56234411 -0.95413087 0.26570309
-0.00062533 0.00056916 0.00044743
-0.01130928 -0.01016671 0.00395907
-33.33692344 1.46807265 0.16649971
-0.00101988 0.00084885 -0.00096269
-0.00683002 0.02563644 0.00275389
13.21205449 13.14770664 -14.92277641
0.00015303 -0.00003818 0.00159200
0.01514166 -0.00773359 0.00710910
16.05921322 12.40875733 -14.30410467
0.00029622 -0.00057447 -0.00055383
-0.04736749 0.00187450 0.02188787
-7.95465509 7.62826197 1.70769743
0.00074827 -0.00030677 -0.00047872
-0.00179419 -0.01375030 0.00616645
-7.35587386 4.75233831 1.39700527
0.00007736 -0.00069458 -0.00041909
-0.00560705 0.02705681 0.03026745
6.26473735 12.34300013 -7.75732934
-0.00034893 -0.00026966 -0.00070882
-0.00551704 0.00210149 -0.00458607
8.55723396 13.40507844 -6.23383167
-0.00024116 0.00057771 0.00027627
0.01045813 0.01286549 -0.00860139
8.92594574 8.20417684 -20.00577849
0.00017022 -0.00080957 0.00016182
-0.00511956 0.01425000 0.00808643
10.60737248 10.42165245 -19.08684513
0.00057153 0.00040132 0.00064725
-0.00682194 0.00895004 -0.00239727
24.28580723 15.87343259 -2.82542313
0.00005100 0.00061793 -0.00004828
-0.00837618 0.00236733 0.00242940
24.25219512 18.74588693 -3.04593675
0.00108432 -0.00035263 0.00015451
0.00307963 -0.00575493 0.01055676
1.53339102 16.80555511 -21.53931934
0.00015927 -0.00042475 0.00000307
0.01240050 0.00883687 0.04256284
3.35492874 15.54007510 -19.45227546
-0.00011501 -0.00061529 -0.00007846
-0.01977529 0.02276691 -0.00058732
13.23329592 -1.93158217 -7.08641166
0.00114118 -0.00026610 -0.00031399
0.00015957 -0.00351794 -0.00927975
12.70295264 -1.07033182 -4.50209778
-0.00073664 0.00018278 -0.00020208
0.01494211 0.00817415 -0.00221743
-17.87625844 -1.97583389 3.36589753
-0.00086532 -0.00109188 0.00085273
-0.00177130 -0.01006720 -0.00529471
-15.12606433 -2.95461968 3.04707897
-0.00043286 -0.00045774 0.00106073
0.00431478 -0.00710232 0.00340794
-15.94071267 -0.64507431 19.28126649
0.00165837 0.00012120 -0.00078193
-0.00070543 0.02608793 0.00814991
-14.75888539 -3.19602055 19.74586671
0.00089632 -0.00068137 -0.00003860
0.00203910 -0.01120567 -0.00154427
-0.20226144 0.46780972 -5.06268898
-0.00031376 0.00067247 -0.00002197
-0.01617427 -0.00004359 0.00018121
-0.79276815 3.51301044 -5.12395067
0.00046187 0.00024534 0.00004295
0.00697218 -0.02325993 0.00904613
23.92314984 -8.49339317 -9.19963624
0.00024065 -0.00060290 0.00002455
-0.01252100 -0.00519058 0.00377883
23.84581761 -5.77533488 -8.13484962
-0.00062676 0.00068134 0.00030770
-0.00909994 -0.00229019 -0.00724946
-0.56183755 -6.14813302 5.48171296
-0.00012122 0.00048104 0.00017836
0.00446025 0.00032977 0.01082009
0.89678812 -6.02886388 8.02159922
0.00016010 0.00117852 -0.00105298
-0.01360134 0.00064097 -0.00876980
-0.24254667 -2.36752739 -19.54257524
-0.00078007 0.00013218 0.00010615
-0.00416099 -0.00176827 0.00488296
-2.96780099 -2.29909289 -20.56513413
0.00067394 -0.00077571 -0.00069752
0.01986028 0.01492227 0.01512686
2.88087201 3.06672729 -10.28760023
-0.00005511 -0.00035923 -0.00088891
-0.00188667 0.00277449 -0.01710785
1.87047438 1.94351950 -7.75956789
0.00072505 0.00058460 -0.00004857
0.02182040 -0.00560942 -0.01258759
-2.13968284 16.60695054 12.41120646
-0.00036693 0.00019326 -0.00015453
0.03355368 -0.03119005 -0.00860600
-3.09540064 18.69314961 13.95031706
0.00105726 0.00075246 -0.00041655
-0.01081513 -0.00485431 -0.01620995
-5.54253308 6.18753388 -11.41154508
0.00069947 -0.00080787 -0.00158546
0.01484297 -0.02057776 -0.00842314
-3.82534838 3.76820691 -12.34452328
0.00042508 0.00121948 0.00035550
-0.00653841 -0.01608529 -0.01892118
-7.97896510 1.17263698 -7.80420861
-0.00081482 -0.00050095 0.00009406
-0.00224383 0.02222801 -0.00327202
-6.08221651 2.93365352 -9.10537979
-0.00097068 -0.00038411 0.00081197
0.00006018 0.00627503 -0.00259628
2.88882546 27.28630262 7.18980841
-0.00069421 -0.00062651 0.00008663
-0.01171261 0.00868328 0.03511128
1.41783132 28.96455178 9.06838038
0.00035142 0.00009083 -0.00011986
-0.01145678 0.00901274 0.00089289
10.46661788 -6.89418641 -0.43646046
-0.00071085 0.00082047 0.00000350
0.00757975 -0.01117313 0.01069408
8.24081711 -7.60564893 -2.20183922
-0.00012156 -0.00001275 0.00092857
-0.00313883 -0.00497331 0.00145029
-7.23737973 -0.05963016 7.18214911
-0.00095568 -0.00008969 0.00075058
-0.00654426 0.00808500 -0.00641842
-10.17544556 0.55485272 7.21054794
-0.00045604 -0.00053219 0.00080506
-0.00578459 -0.00847241 0.00603327
20.88522212 11.24888888 10.48004006
-0.00049416 0.00032880 0.00004769
0.00031023 -0.00318083 -0.01365398
20.46710850 12.68295054 7.96461217
0.00083256 -0.00065950 -0.00022524
0.01060597 -0.00100282 0.00616170
-1.01300308 -3.59562572 -26.87294233
-0.00015645 -0.00190001 -0.00081128
-0.00031750 -0.01129034 0.01155097
-3.37068577 -1.79042151 -26.43700293
0.00004230 0.00030740 -0.00022368
0.02285597 -0.01417852 -0.01938430
-13.49148679 6.78234711 9.73291937
-0.00035177 -0.00039025 0.00084185
-0.00845427 0.00019089 -0.00448827
-15.15249200 7.53137403 7.44917387
0.00066806 0.00049189 0.00099153
0.00843030 -0.00699840 0.01073436
-11.56831752 7.50541349 -1.85633824
-0.00037379 -0.00095946 0.00020629
0.01389518 0.00017780 -0.01528869
-8.97460654 8.05594458 -3.34334838
-0.00068476 0.00007836 0.00054660
0.00011998 0.01805945 -0.01946625
-0.87488418 -16.61088577 22.37733305
-0.00012198 0.00063019 -0.00003378
-0.02413970 0.01679568 0.01675346
-3.39502789 -15.42474379 23.65770090
0.00163796 0.00040604 -0.00031583
-0.02217347 -0.01673907 0.00940553
-3.00575536 6.01091880 -7.90631483
-0.00081694 -0.00079151 0.00034828
-0.00724480 0.00292722 0.01600737
-4.46054449 6.60085559 -5.20823277
0.00026446 0.00015788 0.00050815
0.03323094 -0.00345616 -0.02765552
-21.80802107 29.77143281 2.94335748
0.00071843 -0.00015276 0.00002955
-0.00088550 -0.00095398 0.00344106
-21.27908006 31.00319756 5.47465867
0.00040766 0.00016178 -0.00016558
-0.02221076 0.02431916 0.03196901
7.18619394 -0.15665860 5.93386590
0.00050793 0.00104893 0.00060804
-0.00961890 0.01622124 -0.00299590
7.07210901 2.33916949 7.95919982
-0.00056381 -0.00001511 -0.00060145
0.00063850 -0.01004505 -0.01795928
6.92889352 12.54600937 -12.86256941
0.00006166 -0.00093491 0.00007277
-0.00377215 -0.01782152 -0.00663399
5.16362258 11.91839639 -14.93379484
-0.00013950 0.00030440 -0.00116712
-0.00150983 -0.01337962 0.00771173
14.26099101 3.98703153 -1.97400349
0.00003312 0.00045193 0.00028048
-0.00777551 0.00987366 -0.01075825
14.76955524 1.27800473 -1.16986194
-0.00016252 -0.00027070 0.00082219
0.01200555 0.01381624 -0.00715208
-3.00159040 12.01353969 -0.19090400
-0.00002198 -0.00090859 -0.00028735
-0.00668727 0.00159371 0.00197253
-5.78248010 12.89110712 0.47920030
-0.00093537 -0.00014228 -0.00062227
-0.00476142 -0.00513607 0.01007630
3.32140919 11.64563662 2.34231368
0.00044926 -0.00020230 -0.00036838
-0.04312028 -0.03638279 0.00560157
6.17924194 11.43354836 3.01626736
-0.00039096 0.00070552 -0.00059971
-0.00933988 0.01191658 -0.00973980
25.25412566 -12.82953273 -8.66227592
0.00025015 -0.00022416 -0.00110928
-0.00033453 -0.00472271 0.00529042
26.04828115 -11.54920128 -11.32862351
-0.00156746 -0.00079816 0.00096715
0.00236661 -0.00567665 0.00340051
15.91381900 -2.82758796 0.53856094
-0.00005917 0.00006704 0.00038726
-0.02312366 0.00833636 0.01493960
16.84623279 -5.19767060 -0.72798548
-0.00026353 -0.00033318 0.00009595
0.00368099 -0.01540966 -0.00204322
12.21638277 8.12288332 11.49980165
0.00143391 -0.00025566 -0.00017645
-0.00040202 -0.00305289 0.01193044
13.74113008 9.40532158 9.42950338
0.00151249 -0.00053924 -0.00053101
0.00341554 -0.00903807 0.00733875
0.05658166 -14.66259635 17.24207089
0.00050070 0.00019606 -0.00040652
0.01564818 0.01573182 0.00831188
1.95966971 -12.77833578 18.82053073
0.00065574 0.00022395 0.00048362
-0.01110184 0.01078847 0.00554737
-3.65984107 -1.63680617 -12.49708373
0.00057764 0.00064737 0.00082378
-0.00167034 0.01319873 -0.02318004
-2.66216926 -1.78586875 -15.09452763
0.00079935 0.00012273 0.00063496
0.03020896 -0.03042473 -0.04068724
14.67609887 -7.97774368 -10.56475967
-0.00077148 -0.00012011 -0.00006999
-0.01279422 -0.01550530 -0.02550898
16.37483248 -6.29340443 -9.07024952
-0.00064011 -0.00112085 -0.00008050
-0.00371478 -0.00370647 0.00806318
7.08517208 -5.57598235 8.73104135
-0.00005951 0.00106941 0.00074798
0.01078225 -0.00339116 -0.00646296
9.92601372 -6.56134994 7.96229025
0.00046255 0.00017835 0.00000394
-0.03153424 0.00516011 0.00980749
-20.94765795 2.13335003 21.02518354
0.00066858 0.00005146 0.00065669
-0.00806528 0.00248984 0.02557025
-22.33692164 1.24781474 23.56252119
-0.00018277 -0.00093726 -0.00096074
-0.00388141 -0.00263484 -0.00166132
27.01093460 -2.80443764 -6.90373097
0.00055013 0.00015379 -0.00041103
-0.00524815 -0.00719553 -0.00581084
25.61602111 -1.34172701 -8.98783913
0.00052898 -0.00015397 -0.00001267
-0.00499628 -0.01141253 0.00451117
9.98828648 -15.64390291 -7.76845345
-0.00027370 0.00049646 0.00025184
-0.00219955 0.03176895 -0.01550726
9.17267726 -12.79601572 -7.35749101
-0.00076274 -0.00000573 -0.00088553
-0.00163019 0.00100673 -0.00385473
-5.73737386 -11.30918279 18.33291825
0.00048202 0.00024819 0.00066511
-0.01397640 -0.00815602 -0.02020396
-6.73338744 -11.11280616 15.54026469
0.00004528 0.00021914 -0.00004301
-0.00026685 0.00291387 -0.00081334
8.91812460 1.59965341 -29.50866137
0.00048832 0.00047345 -0.00014370
-0.03204326 0.01092695 -0.00505089
5.91755749 2.21843633 -30.27302393
0.00037304 -0.00109079 -0.00009964
0.00863722 -0.00777975 0.00095637
12.79125961 15.20911692 14.64264391
-0.00022948 0.00099559 0.00005482
-0.03974861 0.01266938 0.00552344
11.56067735 16.26113720 17.12918289
0.00042533 0.00063700 0.00105236
-0.01315284 -0.00038567 0.00037534
28.99997669 5.26937865 -4.96366980
-0.00011365 0.00034633 -0.00008260
0.01157694 0.00008953 0.01567121
27.15249933 7.01192966 -3.85611976
0.00049725 0.00025529 0.00014474
-0.01065676 0.00758175 0.00646527
-9.95176742 5.09333394 6.42245987
0.00001890 0.00029409 -0.00017074
0.00236040 0.00084238 0.00528744
-8.87574297 13.37612716 2.61501883
-0.00013577 0.00001272 0.00005089
0.00043895 -0.00256206 0.00338563
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09412095
0.32563383
433.89075009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3384637761 (a.u.)
total exchange computation time: 2.7328591347 s
-153.9575631142
-931.41852380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3385909418 (a.u.)
total exchange computation time: 2.7318139076 s
-153.9577572391
Anderson extrapolation: theta=1.3510998225 (1.3510998225)
-931.41871266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3386777864 (a.u.)
total exchange computation time: 2.7347929478 s
-153.9588034894
Anderson extrapolation: theta=0.0506181610 (0.0506181610)
-931.41882524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3386135341 (a.u.)
total exchange computation time: 2.7337090969 s
-153.9594993693
Anderson extrapolation: theta=1.8861194962 (1.8861194962)
-931.41882920
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3384699022 (a.u.)
total exchange computation time: 2.7324008942 s
-153.9609523964
Anderson extrapolation: theta=0.2077086813 (0.2077086813)
-931.41883317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3384322533 (a.u.)
total exchange computation time: 2.7324681282 s
-153.9612700891
Anderson extrapolation: theta=1.8870331732 (1.8870331732)
-931.41883389
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3383751026 (a.u.)
total exchange computation time: 2.7337429523 s
-153.9617083265
Anderson extrapolation: theta=0.2829572173 (0.2829572173)
-931.41883480
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3383730209 (a.u.)
total exchange computation time: 2.7294440269 s
-153.9616798765
Anderson extrapolation: theta=1.3309038199 (1.3309038199)
-931.41883503
-118.534413 69.045784 97.349261
560.818022 1031.683088 -409.213214
442.283608 1100.728872 -311.863953
1226.571631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3383801946 (a.u.)
total exchange computation time: 2.7332818508 s
678.43746679
-1082.59196912
89.78217367
-389.94725507
-174.76087128
77.61177097
551.60419304
0.00000000
-931.41883522
4.06060920 -31.53648817 -2.24299747
-0.00000687 -0.00044309 -0.00012930
0.00114986 -0.00304735 -0.00182418
-11.67697208 -1.41888767 -9.41975579
-0.00029174 0.00021724 -0.00012132
-0.00352179 0.00938653 -0.01314671
-37.53215293 2.45073325 0.21956970
-0.00000472 0.00011202 -0.00000945
0.00561898 0.02840363 -0.02270353
-11.78465267 -4.20063775 4.10319050
-0.00017201 0.00011811 0.00026204
0.00233980 0.01143103 0.00779224
3.95732453 -4.15433228 8.67504842
-0.00024502 -0.00030571 -0.00044445
0.00325596 0.01796028 -0.00999140
-32.91615979 -0.25925744 0.16796942
-0.00056085 0.00003127 0.00044818
0.01762144 -0.00531901 -0.00738481
14.26130315 12.50839769 -13.52062367
-0.00019417 0.00021349 -0.00013925
0.04763339 0.00385389 -0.03014780
-7.74954515 6.10728308 2.75401251
0.00002236 0.00013910 0.00023778
0.01323395 -0.01821107 -0.03737819
7.23732243 12.11688099 -6.25166407
-0.00005171 -0.00029041 -0.00030515
0.00229945 -0.00872002 0.00598147
8.84556738 9.84556497 -19.16094069
0.00007307 -0.00032956 -0.00016227
0.01168526 -0.02661888 -0.00515315
23.18735556 17.35343337 -2.46107951
0.00010169 -0.00004562 -0.00031025
0.02051742 -0.00478761 -0.01012246
2.03953920 16.92585288 -19.62883304
-0.00021194 0.00027691 0.00005644
0.00623442 -0.02736033 -0.03831532
14.02957517 -0.91941790 -5.78962029
0.00002729 -0.00018418 0.00011084
-0.01551319 -0.02225115 0.02528108
-16.14403849 -1.45577213 3.20070233
-0.00006958 -0.00010096 -0.00002000
-0.00992614 0.00440445 0.00953255
-16.02076513 -2.34833188 18.74627742
0.00023543 -0.00019856 -0.00015617
-0.00282458 -0.01518879 -0.00559393
0.43298780 2.14113196 -4.61970753
-0.00007164 0.00005189 0.00012548
0.00522162 0.02798189 -0.01173738
22.74012667 -7.10894462 -8.81281599
0.00004021 -0.00001367 0.00000546
0.02086037 0.00306238 0.00470074
-0.77831680 -6.42787376 7.30145266
-0.00012918 -0.00020678 -0.00002194
0.00897851 0.00606684 -0.01028978
-1.80202987 -1.41691865 -19.33601950
-0.00000238 -0.00005208 0.00004502
-0.01621831 -0.01583985 -0.02319607
3.08381644 1.60208891 -9.20943881
-0.00030956 -0.00002344 0.00022029
-0.02326498 0.01995038 0.01736122
-3.51501393 17.72193039 12.36279636
0.00036613 0.00002465 0.00018854
-0.03010270 0.04674914 0.02415860
-3.91968295 5.20975369 -11.30632800
-0.00018567 0.00026538 -0.00018786
-0.00091874 0.04305817 0.03298537
-7.86862794 2.71637847 -8.87736030
0.00020530 0.00004710 -0.00009236
-0.01331776 -0.01360993 0.00290014
2.52689658 27.54993875 9.04941581
0.00013715 0.00003975 0.00042911
0.01677035 -0.02018833 -0.03117413
9.35254067 -6.27175670 -1.70645147
-0.00026073 -0.00006597 0.00017678
-0.00578082 0.02186771 -0.00960652
-8.65493467 0.70152931 6.23583270
0.00016868 -0.00010887 0.00012461
0.00248098 -0.00315460 0.00405921
20.54264433 10.97476576 8.68173000
0.00006116 0.00025105 -0.00017041
-0.00740471 -0.00493183 0.00849096
-1.95067489 -2.22793300 -27.63145940
-0.00003918 0.00004875 -0.00010016
-0.03061819 0.01687668 0.00862905
-14.09828921 6.15475807 8.11749827
0.00034208 -0.00005244 0.00020375
0.00428569 0.00625819 -0.00102024
-9.74781889 7.22180532 -1.93738377
-0.00025333 -0.00003584 0.00043933
-0.01697100 -0.01690039 0.02541664
-1.80170733 -15.03708756 22.97906487
-0.00018291 0.00022059 -0.00054840
0.05503507 -0.00078986 -0.03321366
-2.77946801 6.24404076 -6.05071490
-0.00007296 -0.00021426 0.00013036
-0.01853883 -0.00548840 0.00458665
-20.50432807 30.03239659 4.24122484
-0.00049737 -0.00053180 0.00011544
0.03123681 -0.01578220 -0.02538681
7.80173042 0.72024423 7.45660232
0.00024240 0.00041080 -0.00011035
0.01705062 0.00018860 0.02821259
5.82302386 11.06690294 -13.41890715
0.00023985 -0.00052945 0.00005842
0.00729258 0.03422843 -0.02779596
15.64454226 2.87954854 -1.57776549
0.00013054 0.00028120 0.00035994
-0.00961702 -0.02180506 0.01898965
-4.45140605 12.95714988 -0.76939458
0.00005979 -0.00039146 0.00001569
0.01305444 0.00010813 -0.01876776
4.77361465 12.59966601 2.45016741
0.00004264 0.00014710 -0.00022638
0.05054890 0.01838365 0.02047049
25.01371007 -11.42367750 -9.77392082
-0.00016307 0.00019205 0.00027700
-0.00989637 0.00977964 0.00665828
16.96439701 -3.38809467 -0.78474153
0.00043040 0.00042845 -0.00013707
0.01329906 -0.00024539 -0.00668249
13.54911202 7.74918859 10.28483964
0.00026139 -0.00030456 0.00005203
0.01470699 0.00614708 -0.03033773
1.81906898 -14.01333381 17.51413555
0.00025181 0.00003942 -0.00010135
-0.00181761 -0.01557432 -0.01293827
-3.62988889 -0.70204652 -14.15177006
0.00012264 -0.00004007 0.00016094
-0.03491354 0.01554036 0.06844279
15.00002070 -7.60911923 -8.84488070
0.00027269 -0.00015373 -0.00004698
0.01980215 0.00514569 0.01526146
8.39204472 -6.87727761 8.99537692
0.00009318 0.00031909 0.00013426
0.01790800 0.00545425 -0.00403539
-21.10650717 2.44380786 22.89643746
0.00007654 0.00032571 0.00003000
0.00472271 0.00419644 -0.02318108
25.75501297 -3.06288796 -8.25105690
0.00015425 0.00016815 -0.00006049
0.01640482 0.00670827 0.00809532
9.94233300 -13.93379050 -8.60273516
0.00006093 -0.00012542 -0.00034873
-0.00492710 -0.03430808 0.01935180
-6.66857775 -12.24334405 16.96955233
0.00010264 0.00030459 -0.00001549
0.01434922 0.00920636 0.03060379
7.42278059 2.73940178 -29.33238789
-0.00040127 -0.00046209 -0.00002853
0.03370983 0.00100621 0.00905811
10.96985177 15.81227750 15.45370638
-0.00025999 0.00027872 0.00001875
0.03994478 -0.00865798 0.00241244
28.84311253 6.42137244 -3.47619956
0.00012273 0.00022797 -0.00004689
0.00547925 -0.01493498 -0.01551621
5.19013428 -32.18911697 -3.56226563
-0.00059851 -0.00021653 -0.00034753
-0.00159863 0.00486742 0.00183048
4.81592444 -31.77569278 -0.53141314
-0.00046297 -0.00062322 -0.00040964
-0.00501592 0.00459017 -0.01718998
-12.31640440 -3.12007754 -9.55610306
-0.00085763 -0.00029031 -0.00100918
-0.00220781 -0.00250013 -0.00011717
-12.04396262 -0.51911120 -10.99737226
0.00028112 0.00026702 -0.00071725
0.00009445 -0.01194789 0.01088558
-38.94183078 2.44458790 1.36263233
0.00024691 0.00023937 -0.00029494
-0.00523310 -0.00391489 -0.00019138
-37.81647911 3.94120138 -0.91606369
0.00019734 0.00092678 -0.00077810
0.00251411 -0.01597112 0.01026950
-10.83618601 -5.47945663 3.20046533
0.00027021 -0.00089590 -0.00031898
0.00300110 -0.00604708 0.00225058
-10.54770319 -2.87537539 4.44650358
0.00019704 0.00023921 0.00100287
-0.00720565 -0.00147286 -0.00297507
4.06936815 -2.31345123 8.44831609
-0.00023920 0.00067951 -0.00004616
0.00121210 -0.01579466 -0.00343881
3.63347795 -4.26534061 10.45508501
0.00011774 -0.00045445 -0.00011991
-0.00068302 -0.00239835 0.01905783
-34.57207061 -0.94590501 0.27253584
-0.00067403 0.00052620 0.00046438
-0.01252887 -0.01086374 0.00434005
-33.35243095 1.48159091 0.15214374
-0.00104350 0.00093709 -0.00095169
-0.00473276 0.01756039 0.00263157
13.21481385 13.14689699 -14.89867856
0.00020268 -0.00006226 0.00160424
0.00916355 -0.00405630 -0.00111587
16.06220497 12.40019765 -14.31174138
0.00009761 -0.00056505 -0.00046238
-0.04984986 0.00273700 0.02287606
-7.94348602 7.62323900 1.70070559
0.00074016 -0.00036145 -0.00045314
-0.00217689 -0.01301144 0.00635491
-7.35488527 4.74274864 1.39164638
0.00005348 -0.00057869 -0.00028924
-0.00608034 0.02967207 0.03329447
6.25933436 12.33901961 -7.76810215
-0.00036655 -0.00026141 -0.00072051
-0.00310734 0.00193946 -0.00113670
8.55393705 13.41413830 -6.22995125
-0.00020346 0.00062499 0.00024030
0.00799549 0.01027955 -0.00900526
8.92834214 8.19246991 -20.00310336
0.00015068 -0.00074746 0.00019656
-0.00444483 0.01615641 0.00891978
10.61573644 10.42794658 -19.07720989
0.00053466 0.00043317 0.00063587
-0.01122568 0.00663660 -0.00317177
24.28631554 15.88277409 -2.82607290
0.00001986 0.00062049 -0.00003968
-0.00686423 -0.00111210 0.00178304
24.26855428 18.74042110 -3.04329563
0.00109400 -0.00037604 0.00019811
0.00165953 -0.00570533 0.01078728
1.53615998 16.79945471 -21.53796900
0.00020864 -0.00038710 0.00017679
0.01176684 0.00959338 0.04247261
3.35259765 15.53154344 -19.45347032
-0.00019991 -0.00051687 -0.00008042
-0.02178702 0.02540678 -0.00037230
13.25041844 -1.93568146 -7.09140581
0.00114026 -0.00028203 -0.00035170
-0.00060575 -0.00427846 -0.00918065
12.69236091 -1.06733957 -4.50519699
-0.00067310 0.00021568 -0.00021482
0.01616250 0.00792785 -0.00401854
-17.88929248 -1.99252056 3.37852630
-0.00085629 -0.00112696 0.00082917
0.00619197 -0.00710336 -0.00624025
-15.13242507 -2.96170337 3.06309442
-0.00041407 -0.00048601 0.00107454
0.00488387 -0.00673918 0.00335000
-15.91585880 -0.64245683 19.26978733
0.00165514 0.00022366 -0.00075011
-0.00087500 0.02406336 0.00742660
-14.74537807 -3.20658447 19.74524039
0.00089651 -0.00072186 -0.00005101
-0.00194601 -0.00861637 -0.00453158
-0.20746349 0.47789539 -5.06301295
-0.00038100 0.00066650 -0.00002257
-0.01673809 -0.00287791 -0.00047555
-0.78562650 3.51597776 -5.12302918
0.00048882 0.00015180 0.00007960
0.00622025 -0.02252790 0.00889497
23.92637587 -8.50259571 -9.19915214
0.00018578 -0.00061648 0.00004244
-0.01433875 -0.00145802 0.00497818
23.83613730 -5.76518492 -8.13045626
-0.00066396 0.00066817 0.00027636
-0.00910750 -0.00415851 -0.00809158
-0.56351924 -6.14090730 5.48471988
-0.00010494 0.00048187 0.00022010
0.00351153 0.00007531 0.00961484
0.89877279 -6.01116636 8.00553585
0.00010301 0.00117991 -0.00108681
-0.01434424 0.00003876 -0.00779022
-0.25437526 -2.36559892 -19.54083331
-0.00078571 0.00011984 0.00012602
0.00140268 -0.00427113 0.00483980
-2.95708329 -2.31027126 -20.57513347
0.00075451 -0.00071179 -0.00063307
0.01958006 0.01636394 0.01642390
2.87998761 3.06142381 -10.30145814
-0.00006256 -0.00035220 -0.00095418
-0.00176352 0.00066602 -0.01484136
1.88201870 1.95211665 -7.76068213
0.00080839 0.00056267 -0.00009466
0.01897978 -0.00512719 -0.00997435
-2.14415857 16.60889370 12.40862474
-0.00022206 0.00005922 -0.00018952
0.03736200 -0.03442451 -0.00851887
-3.07987312 18.70428777 13.94357210
0.00101235 0.00073167 -0.00048213
-0.01116775 -0.00532238 -0.01589309
-5.53158612 6.17478526 -11.43558515
0.00074856 -0.00088357 -0.00161831
0.00918677 -0.01647888 -0.00765322
-3.81917248 3.78600617 -12.33977054
0.00040082 0.00113754 0.00026705
-0.00533642 -0.02402260 -0.02437898
-7.99125608 1.16580384 -7.80289797
-0.00082259 -0.00040431 0.00007709
-0.00155978 0.02507938 -0.00503353
-6.09677492 2.92808423 -9.09327977
-0.00094883 -0.00035610 0.00079884
0.01063570 0.00743565 -0.00383220
2.87805342 27.27717112 7.19218377
-0.00074128 -0.00059080 0.00023223
-0.01133059 0.00879468 0.03616275
1.42275161 28.96619037 9.06660982
0.00030342 0.00012870 -0.00011550
-0.01204011 0.00952682 0.00124215
10.45618735 -6.88222176 -0.43608027
-0.00067264 0.00077127 0.00005561
0.01112500 -0.01290907 0.01481281
8.23889747 -7.60599263 -2.18786623
-0.00013782 -0.00003695 0.00093289
-0.00481807 -0.00687197 0.00066583
-7.25191548 -0.06072781 7.19321107
-0.00097535 -0.00005939 0.00072668
-0.00308157 0.00674683 -0.00527690
-10.18246338 0.54661021 7.22280869
-0.00046803 -0.00056412 0.00082020
-0.00008759 -0.00715626 0.00137941
20.87781917 11.25372343 10.48033706
-0.00049330 0.00031568 -0.00000967
0.00011450 -0.00324156 -0.01442472
20.47992189 12.67302726 7.96142235
0.00087498 -0.00065270 -0.00020444
0.01016032 0.00433482 0.00402225
-1.01535956 -3.62447184 -26.88475755
-0.00016628 -0.00193200 -0.00076945
-0.00449507 -0.00437124 0.00892446
-3.36935088 -1.78624503 -26.44095218
0.00013498 0.00024862 -0.00030156
0.02251257 -0.01459256 -0.01873549
-13.49702240 6.77649915 9.74540958
-0.00038602 -0.00039132 0.00082127
-0.00831026 -0.00071142 -0.00558780
-15.14221277 7.53853788 7.46437578
0.00070113 0.00046407 0.00103343
0.00775625 -0.00661594 0.00977536
-11.57349853 7.49102706 -1.85371237
-0.00031781 -0.00095813 0.00014424
0.01350596 0.00047362 -0.01508561
-8.98487421 8.05767340 -3.33574586
-0.00068290 0.00015324 0.00046474
0.00078753 0.01859420 -0.02060703
-0.87745353 -16.60091821 22.37733979
-0.00021802 0.00069464 0.00003239
-0.02287529 0.01475359 0.01563484
-3.37113791 -15.41916609 23.65325174
0.00152008 0.00033111 -0.00026535
-0.03553196 -0.01994064 0.01530063
-3.01823152 5.99913579 -7.90060010
-0.00084610 -0.00077902 0.00041276
-0.00702591 0.00318841 0.01555699
-4.45555929 6.60311788 -5.20145793
0.00039866 0.00014375 0.00039581
0.03245848 -0.00345812 -0.02733922
-21.79727175 29.76911220 2.94390618
0.00070680 -0.00015740 0.00003750
-0.00480714 -0.00131634 0.00044795
-21.27364583 31.00636948 5.47315457
0.00031529 0.00026282 -0.00003432
-0.02300460 0.02513814 0.03228456
7.19351814 -0.14042760 5.94289472
0.00046501 0.00110792 0.00058531
-0.01139238 0.01265453 -0.00813233
7.06367143 2.33863508 7.94962781
-0.00056110 -0.00005323 -0.00067292
0.00068609 -0.00861826 -0.01702786
6.92970289 12.53143959 -12.86168116
0.00004766 -0.00100473 0.00004657
-0.00308214 -0.01635573 -0.00618964
5.16148388 11.92255246 -14.95106534
-0.00013763 0.00024088 -0.00111819
0.00242532 -0.01771630 0.01624048
14.26124954 3.99411299 -1.97012599
0.00000356 0.00048975 0.00023720
-0.00669469 0.00864059 -0.01042673
14.76748528 1.27436753 -1.15774818
-0.00010985 -0.00020625 0.00079081
0.01377909 0.01773346 -0.00821181
-3.00212495 11.99995961 -0.19515382
-0.00005158 -0.00090142 -0.00027855
-0.00780620 0.00191648 0.00233608
-5.79665652 12.88881546 0.47017501
-0.00095068 -0.00016404 -0.00058306
-0.00273279 -0.00551336 0.00911735
3.32682676 11.64148725 2.33695957
0.00027225 -0.00035125 -0.00034572
-0.04352971 -0.03652830 0.00549449
6.17309136 11.44449634 3.00697321
-0.00042199 0.00074880 -0.00063639
-0.00584897 0.00927072 -0.00821527
25.25786773 -12.83303987 -8.67875298
0.00024837 -0.00024905 -0.00108122
-0.00053789 -0.00745919 0.00844654
26.02484181 -11.56134767 -11.31401205
-0.00154989 -0.00082005 0.00096738
0.00623505 -0.00503870 -0.00328856
15.91222293 -2.82632689 0.54482764
-0.00014689 0.00009843 0.00044037
-0.01981657 0.00702840 0.01105721
16.84239261 -5.20314051 -0.72660889
-0.00024700 -0.00038283 0.00008649
0.00441134 -0.00889428 -0.00258383
12.23787906 8.11895482 11.49752051
0.00142221 -0.00026435 -0.00011985
-0.00532269 -0.00119936 0.01577470
13.76392205 9.39695599 9.42176307
0.00152360 -0.00057827 -0.00049827
0.00202597 -0.01006515 0.00868837
0.06457168 -14.65917346 17.23622776
0.00056145 0.00025945 -0.00037216
0.01409111 0.01530284 0.00850935
1.96916561 -12.77464601 18.82795497
0.00060886 0.00026116 0.00049890
-0.01184569 0.00742660 0.00193346
-3.65122761 -1.62669122 -12.48543740
0.00057067 0.00070142 0.00072620
-0.00174537 0.01326266 -0.02458535
-2.64925332 -1.78496006 -15.08625004
0.00092134 -0.00000014 0.00047116
0.02950354 -0.02972114 -0.03949198
14.66413464 -7.98002050 -10.56659119
-0.00082242 -0.00018241 -0.00016989
-0.01214072 -0.01499022 -0.02339306
16.36511695 -6.31033078 -9.07120991
-0.00064626 -0.00112741 -0.00004853
0.00070594 0.00049578 0.00758433
7.08460977 -5.56004513 8.74206293
-0.00001050 0.00105022 0.00072147
0.01320906 -0.00600348 -0.00651265
9.93198563 -6.55851664 7.96264996
0.00033012 0.00019968 0.00004578
-0.03329168 0.00528308 0.01067056
-20.93787646 2.13419816 21.03581737
0.00063689 0.00006175 0.00075435
-0.00744289 0.00255094 0.02223564
-22.33978213 1.23367509 23.54805912
-0.00019244 -0.00094127 -0.00096886
-0.00085198 0.00067125 -0.00231276
27.01902566 -2.80235123 -6.91007455
0.00052844 0.00012392 -0.00043420
-0.00536568 -0.00742743 -0.00552699
25.62380273 -1.34438633 -8.98789100
0.00050722 -0.00019639 0.00000407
-0.00565403 -0.00935185 0.00368582
9.98411357 -15.63548257 -7.76515111
-0.00028189 0.00062193 0.00018934
-0.00180862 0.02965259 -0.01508408
9.16118623 -12.79607080 -7.37089204
-0.00076870 -0.00000125 -0.00090167
-0.00129013 0.00118519 -0.00404915
-5.73057189 -11.30570984 18.34227586
0.00042145 0.00021238 0.00057685
-0.01567011 -0.00937430 -0.02300408
-6.73271644 -11.10942975 15.53959461
0.00004467 0.00023178 -0.00004598
-0.00003067 0.00327454 -0.00063904
8.92446751 1.60709005 -29.51097159
0.00035599 0.00051820 -0.00016434
-0.03273303 0.01097859 -0.00505432
5.92341779 2.20183613 -30.27448929
0.00040375 -0.00112335 -0.00009860
0.00639269 -0.00815864 -0.00044470
12.78659940 15.22443898 14.64363550
-0.00039182 0.00104573 0.00007775
-0.03972058 0.01187708 0.00569798
11.56665421 16.27068040 17.14497975
0.00036561 0.00063062 0.00103696
-0.01608048 -0.00273893 -0.00791065
28.99862671 5.27457638 -4.96442853
-0.00006627 0.00034585 -0.00001946
0.01161318 -0.00032505 0.01523314
27.15963148 7.01599136 -3.85375051
0.00044852 0.00028812 0.00017019
-0.01319501 0.00848929 0.00599108
-9.95147759 5.09774751 6.41991290
0.00001973 0.00029435 -0.00016885
0.00225332 0.00063965 0.00531835
-8.87777874 13.37631349 2.61578808
-0.00013566 0.00001214 0.00005165
0.00053373 -0.00245860 0.00312130
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09410268
0.32473254
432.68983525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3379705534 (a.u.)
total exchange computation time: 2.6258208752 s
-153.9527464434
-931.41704606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3380886517 (a.u.)
total exchange computation time: 2.6257679462 s
-153.9528840324
Anderson extrapolation: theta=1.3746497169 (1.3746497169)
-931.41724914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3381455488 (a.u.)
total exchange computation time: 2.6267468929 s
-153.9539151236
Anderson extrapolation: theta=0.0610743799 (0.0610743799)
-931.41737587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3380620057 (a.u.)
total exchange computation time: 2.6254920959 s
-153.9546775002
Anderson extrapolation: theta=2.2026939599 (2.0000000000)
-931.41738231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3378626649 (a.u.)
total exchange computation time: 2.6257960796 s
-153.9563521501
Anderson extrapolation: theta=0.3577666332 (0.3577666332)
-931.41739078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3377830836 (a.u.)
total exchange computation time: 2.6254351139 s
-153.9569057971
Anderson extrapolation: theta=1.3324343030 (1.3324343030)
-931.41739318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3376935169 (a.u.)
total exchange computation time: 2.6260309219 s
-153.9574177196
Anderson extrapolation: theta=0.4672426984 (0.4672426984)
-931.41739553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3376713771 (a.u.)
total exchange computation time: 2.6260700226 s
-153.9574323084
Anderson extrapolation: theta=0.9267964352 (0.9267964352)
-931.41739637
-118.563855 69.027617 97.387378
560.849405 1031.674637 -409.203963
442.285550 1100.702254 -311.816585
1226.536401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3376666829 (a.u.)
total exchange computation time: 2.6251711845 s
678.40972369
-1082.56315007
89.79555902
-389.96525190
-174.75661093
77.59621877
551.60419304
0.00000000
-931.41739687
4.06051054 -31.54314621 -2.24494402
-0.00000696 -0.00044442 -0.00013045
-0.00149931 -0.00213287 -0.00262946
-11.68136182 -1.41559285 -9.42162627
-0.00029419 0.00022100 -0.00012888
-0.00599506 0.00521931 -0.01625922
-37.53220206 2.45252313 0.21934031
-0.00000132 0.00012779 -0.00002255
0.00758636 0.03292222 -0.02822135
-11.78722373 -4.19882207 4.10715110
-0.00016927 0.00012297 0.00026520
0.00829732 0.00748637 0.00450944
3.95366175 -4.15884867 8.66834314
-0.00024335 -0.00029496 -0.00044919
0.00324516 0.02386052 -0.00845219
-32.92450459 -0.25880894 0.17466357
-0.00055218 0.00003080 0.00044430
0.01609457 0.00350595 -0.00767713
14.25857438 12.51161487 -13.52282865
-0.00016751 0.00021419 -0.00015253
0.05602628 -0.00110731 -0.02150492
-7.74915868 6.10929928 2.75743498
0.00002939 0.00012895 0.00021795
0.01408077 -0.02122841 -0.03970377
7.23655565 12.11249123 -6.25621818
-0.00005037 -0.00029413 -0.00030272
0.00290963 -0.00574761 0.00344342
8.84670846 9.84051883 -19.16339459
0.00007995 -0.00034298 -0.00016489
0.01507109 -0.02555087 -0.00506092
23.18896000 17.35273059 -2.46577237
0.00011207 -0.00004716 -0.00031543
0.01987339 -0.00119287 -0.00999226
2.03638412 16.92990102 -19.62813418
-0.00020813 0.00026211 0.00003692
0.00859540 -0.03019602 -0.03761001
14.02992466 -0.92226639 -5.78786017
0.00001918 -0.00019541 0.00012406
-0.01603296 -0.02141846 0.02614411
-16.14512049 -1.45726961 3.20043905
-0.00007669 -0.00009954 -0.00001492
-0.01770536 0.00111619 0.01024588
-16.01724463 -2.35136886 18.74391326
0.00023497 -0.00020627 -0.00015806
0.00105051 -0.01477908 -0.00175169
0.43193342 2.14201831 -4.61787053
-0.00006849 0.00006663 0.00011971
0.00700235 0.02933764 -0.01072114
22.74081022 -7.10913785 -8.81271600
0.00005137 -0.00001253 0.00000780
0.02255454 0.00135875 0.00442182
-0.78021987 -6.43095207 7.30108388
-0.00012414 -0.00020342 -0.00002716
0.01060549 0.00700695 -0.01001697
-1.80212810 -1.41776096 -19.33543372
-0.00001201 -0.00005982 0.00003280
-0.02122886 -0.01426016 -0.02429583
3.07908336 1.60181433 -9.20606753
-0.00032073 -0.00001278 0.00022771
-0.02020028 0.02148510 0.01148221
-3.50963803 17.72248044 12.36571764
0.00035009 0.00004936 0.00020072
-0.03229089 0.04936143 0.02319238
-3.92247160 5.21390041 -11.30901859
-0.00018474 0.00028809 -0.00016971
0.00452984 0.04528282 0.03756409
-7.86559977 2.71703254 -8.87873447
0.00019548 0.00003916 -0.00009016
-0.02488450 -0.01726472 0.00563179
2.52901848 27.55045707 9.05573228
0.00014569 0.00002937 0.00041292
0.01645807 -0.02015473 -0.03181230
9.34860741 -6.27266190 -1.70383683
-0.00026413 -0.00005393 0.00017104
-0.00742771 0.02495369 -0.01272878
-8.65239493 0.69988403 6.23771745
0.00016760 -0.00011040 0.00012747
-0.00666398 -0.00276579 0.00707210
20.54353320 10.97851255 8.67920661
0.00005742 0.00024708 -0.00016535
-0.00712920 -0.01053621 0.01117908
-1.95138071 -2.22713658 -27.63292855
-0.00005355 0.00005580 -0.00009532
-0.02525374 0.01052350 0.01021608
-14.09314152 6.15399557 8.12055051
0.00034445 -0.00004913 0.00020374
0.00492102 0.00661896 0.00099002
-9.75168429 7.22120257 -1.93069577
-0.00026189 -0.00004462 0.00045237
-0.01630749 -0.01723764 0.02530385
-1.80423872 -15.03378174 22.97071077
-0.00015187 0.00022164 -0.00056670
0.06567240 0.00486610 -0.03793486
-2.78063391 6.24080562 -6.04874183
-0.00008217 -0.00021709 0.00013266
-0.01729704 -0.00550235 0.00437677
-20.51166813 30.02435876 4.24285855
-0.00048029 -0.00053970 0.00010356
0.03519298 -0.01495637 -0.02082384
7.80543217 0.72640689 7.45505584
0.00025168 0.00041135 -0.00009473
0.01904320 0.00195595 0.03255234
5.82664973 11.05909325 -13.41813814
0.00024245 -0.00051136 0.00004213
0.00280876 0.03609420 -0.03554917
15.64646324 2.88368241 -1.57229318
0.00012481 0.00026954 0.00036987
-0.01264288 -0.02353381 0.01963852
-4.45045881 12.95127833 -0.76923158
0.00006613 -0.00039138 0.00000626
0.01159782 0.00022490 -0.01790587
4.77444930 12.60194349 2.44685067
0.00006716 0.00015694 -0.00021619
0.04477336 0.01986269 0.01917018
25.01122591 -11.42075908 -9.76974021
-0.00016897 0.00019758 0.00028151
-0.01307836 0.01173028 0.01089454
16.97090430 -3.38166888 -0.78682330
0.00043614 0.00042699 -0.00013919
0.00904096 -0.00544773 -0.00158023
13.55308959 7.74464386 10.28550307
0.00027041 -0.00030161 0.00003501
0.02037058 0.00531868 -0.03583218
1.82283915 -14.01280252 17.51256544
0.00025155 0.00003245 -0.00010706
0.00080424 -0.01155105 -0.00926235
-3.62818389 -0.70258764 -14.14909190
0.00010532 -0.00003264 0.00019567
-0.03247057 0.01335126 0.06658043
15.00418739 -7.61140533 -8.84552647
0.00028125 -0.00015243 -0.00003972
0.01348508 -0.00011107 0.01296997
8.39351154 -6.87247021 8.99737529
0.00010210 0.00032241 0.00013203
0.01677285 0.00744829 -0.00464034
-21.10534081 2.44870973 22.89679800
0.00007800 0.00032701 0.00001934
0.00096195 0.00084458 -0.01824345
25.75738994 -3.06033978 -8.25193296
0.00016278 0.00017100 -0.00005620
0.01680015 0.00437805 0.00858283
9.94322793 -13.93580412 -8.60789151
0.00005822 -0.00014231 -0.00033889
-0.00562188 -0.03137294 0.01892434
-6.66698278 -12.23873974 16.96943797
0.00011028 0.00030949 0.00000078
0.01535513 0.00984334 0.03269575
7.41689153 2.73247435 -29.33278090
-0.00038334 -0.00046132 -0.00002346
0.03604104 0.00197735 0.01066094
10.96610605 15.81642491 15.45399700
-0.00023880 0.00027491 0.00002190
0.04243453 -0.00614412 0.00980422
28.84497462 6.42473434 -3.47696279
0.00012609 0.00022013 -0.00005461
0.00759404 -0.01553016 -0.01448684
5.18110760 -32.19221573 -3.56742246
-0.00060175 -0.00019826 -0.00034230
0.00001419 0.00407613 0.00072740
4.80882624 -31.78490048 -0.53808455
-0.00048043 -0.00060514 -0.00047654
-0.00353259 0.00426302 -0.01555511
-12.32933654 -3.12450882 -9.57124442
-0.00086211 -0.00028980 -0.00100800
0.00001437 0.00275065 0.00069486
-12.03974296 -0.51547196 -11.00779746
0.00028239 0.00021632 -0.00066795
0.00052757 -0.01287092 0.01324731
-38.93828753 2.44805843 1.35820234
0.00022057 0.00022353 -0.00029206
-0.00765866 -0.00383778 0.00160131
-37.81344201 3.95461366 -0.92742053
0.00020856 0.00085240 -0.00072884
0.00297904 -0.02043778 0.01384646
-10.83204088 -5.49308046 3.19574953
0.00027448 -0.00090756 -0.00030057
-0.00091385 0.00034228 0.00676396
-10.54496833 -2.87183235 4.46145544
0.00016385 0.00022780 0.00098847
-0.00904461 -0.00411206 -0.00407377
4.06581726 -2.30374259 8.44751826
-0.00023507 0.00060286 -0.00005883
0.00081304 -0.02172687 -0.00276098
3.63522318 -4.27223092 10.45387038
0.00011536 -0.00046399 -0.00004643
-0.00048361 -0.00226932 0.01690906
-34.58256497 -0.93834496 0.27963458
-0.00072654 0.00048102 0.00048281
-0.01317590 -0.01125028 0.00468054
-33.36822851 1.49618538 0.13794904
-0.00105841 0.00099160 -0.00094078
-0.00256595 0.00912027 0.00270726
13.21813482 13.14583873 -14.87464910
0.00022632 -0.00007039 0.00158133
0.00241147 0.00007943 -0.01009864
16.06214162 12.39180572 -14.31797611
-0.00010897 -0.00055217 -0.00036782
-0.05127374 0.00356987 0.02341306
-7.93245037 7.61741861 1.69410321
0.00073041 -0.00041249 -0.00042718
-0.00259521 -0.01197739 0.00635272
-7.35426933 4.73497746 1.38832799
0.00002804 -0.00045367 -0.00014856
-0.00637351 0.03152618 0.03557264
6.25374094 12.33515795 -7.77894461
-0.00037613 -0.00025416 -0.00071975
-0.00158160 0.00160670 0.00150775
8.55113015 13.42382816 -6.22662273
-0.00017616 0.00066115 0.00020272
0.00536828 0.00741884 -0.00939105
8.93046612 8.18175314 -19.99988157
0.00013396 -0.00067867 0.00023410
-0.00373944 0.01751537 0.00945629
10.62341242 10.43464744 -19.06776902
0.00048056 0.00045568 0.00062127
-0.01526087 0.00438433 -0.00397707
24.28640317 15.89204742 -2.82661340
-0.00000473 0.00060844 -0.00003379
-0.00517416 -0.00479099 0.00109901
24.28501514 18.73460562 -3.03999340
0.00109805 -0.00039898 0.00024246
0.00032503 -0.00552032 0.01091949
1.53965009 16.79394224 -21.53401567
0.00025501 -0.00034657 0.00034858
0.01093595 0.01024525 0.04161897
3.34893131 15.52456887 -19.45468799
-0.00029182 -0.00040891 -0.00008132
-0.02320342 0.02744457 -0.00006839
13.26750384 -1.94004297 -7.09696260
0.00113652 -0.00030057 -0.00038840
-0.00122849 -0.00479831 -0.00878439
12.68275973 -1.06386144 -4.50854248
-0.00060527 0.00024737 -0.00023426
0.01703920 0.00758409 -0.00549479
-17.90194704 -2.00964256 3.39077262
-0.00081603 -0.00115005 0.00080166
0.01351298 -0.00419943 -0.00722571
-15.13848650 -2.96920007 3.07931517
-0.00039329 -0.00051213 0.00108815
0.00528952 -0.00604444 0.00331417
-15.89105855 -0.63836460 19.25876331
0.00165104 0.00031562 -0.00072178
-0.00113284 0.02095119 0.00643896
-14.73199002 -3.21767647 19.74433635
0.00088076 -0.00075187 -0.00007527
-0.00576619 -0.00607286 -0.00734451
-0.21369134 0.48780468 -5.06336606
-0.00045028 0.00064942 -0.00002573
-0.01717631 -0.00548194 -0.00106989
-0.77810363 3.51756443 -5.12156256
0.00051213 0.00006214 0.00011536
0.00519125 -0.02136312 0.00860918
23.92872314 -8.51188761 -9.19836294
0.00012402 -0.00061521 0.00006508
-0.01589382 0.00208140 0.00610506
23.82589883 -5.75528982 -8.12655880
-0.00070072 0.00064782 0.00024186
-0.00888511 -0.00580367 -0.00879772
-0.56498573 -6.13367696 5.48831604
-0.00009258 0.00048168 0.00025633
0.00253972 -0.00016787 0.00811918
0.89987835 -5.99346647 7.98899505
0.00004349 0.00117893 -0.00111625
-0.01479044 -0.00052048 -0.00662532
-0.26611789 -2.36393220 -19.53879476
-0.00076839 0.00009715 0.00014571
0.00707276 -0.00683485 0.00479981
-2.94516560 -2.32044674 -20.58412625
0.00083289 -0.00064267 -0.00056427
0.01878637 0.01747536 0.01725366
2.87899513 3.05616114 -10.31622562
-0.00006954 -0.00035414 -0.00100965
-0.00165062 -0.00161143 -0.01231337
1.89472622 1.96039957 -7.76240767
0.00087928 0.00054315 -0.00012905
0.01571712 -0.00442520 -0.00686244
-2.14634453 16.60872711 12.40552093
-0.00006481 -0.00008539 -0.00022408
0.03960942 -0.03636105 -0.00840037
-3.06503002 18.71509974 13.93585311
0.00096631 0.00070929 -0.00054581
-0.01137077 -0.00563262 -0.01527926
-5.52007614 6.16102672 -11.46009426
0.00077291 -0.00094151 -0.00164836
0.00273031 -0.01188131 -0.00705668
-3.81332363 3.80233318 -12.33651190
0.00038172 0.00102504 0.00015772
-0.00401547 -0.03104713 -0.02913681
-8.00364266 1.16050772 -7.80189582
-0.00082752 -0.00029713 0.00005363
-0.00085606 0.02738485 -0.00645297
-6.11068152 2.92297065 -9.08141461
-0.00088322 -0.00032339 0.00078088
0.02148265 0.00857539 -0.00496015
2.86658697 27.26857861 7.19677541
-0.00078635 -0.00055499 0.00038023
-0.01073076 0.00873312 0.03628317
1.42693401 28.96841282 9.06491540
0.00025387 0.00016757 -0.00010968
-0.01221683 0.00950099 0.00160805
10.44643863 -6.87104827 -0.43479225
-0.00062079 0.00071560 0.00012361
0.01425809 -0.01434028 0.01847462
8.23668254 -7.60675750 -2.17385244
-0.00016059 -0.00006848 0.00093420
-0.00632809 -0.00856256 -0.00002565
-7.26664010 -0.06141198 7.20394963
-0.00098048 -0.00003485 0.00070788
0.00056980 0.00526977 -0.00392717
-10.18948657 0.53792912 7.23515399
-0.00045734 -0.00059063 0.00081664
0.00532073 -0.00582231 -0.00312206
20.87042325 11.25835932 10.47975002
-0.00049312 0.00030241 -0.00006935
-0.00003034 -0.00325706 -0.01478799
20.49335796 12.66336963 7.95847905
0.00091565 -0.00062384 -0.00019262
0.00974600 0.00979064 0.00176191
-1.01799153 -3.65358586 -26.89602583
-0.00019273 -0.00193565 -0.00073802
-0.00845053 0.00258466 0.00645951
-3.36663629 -1.78296287 -26.44604965
0.00022486 0.00018867 -0.00037575
0.02148161 -0.01475289 -0.01758327
-13.50306731 6.77060758 9.75755735
-0.00041943 -0.00039599 0.00079656
-0.00804591 -0.00157754 -0.00650796
-15.13145819 7.54529627 7.48017679
0.00073107 0.00043830 0.00107107
0.00690074 -0.00600312 0.00865116
-11.57785180 7.47666966 -1.85201103
-0.00026433 -0.00095555 0.00008320
0.01267124 0.00078810 -0.01479558
-8.99509361 8.06054178 -3.32940626
-0.00067900 0.00022934 0.00037980
0.00112486 0.01865625 -0.02097199
-0.88142482 -16.59004645 22.37830474
-0.00030793 0.00074949 0.00009335
-0.02113537 0.01209270 0.01420724
-3.34942556 -15.41481048 23.64974028
0.00134966 0.00024361 -0.00019112
-0.04789103 -0.02289242 0.02103824
-3.03113828 5.98754820 -7.89393194
-0.00087431 -0.00076556 0.00047484
-0.00678508 0.00340089 0.01483078
-4.44858484 6.60516822 -5.19635861
0.00052799 0.00012997 0.00028580
0.03085308 -0.00329054 -0.02651078
-21.78681704 29.76671092 2.94448233
0.00067898 -0.00016349 0.00003284
-0.00881110 -0.00166824 -0.00272546
-21.26962146 31.01108202 5.47362906
0.00022162 0.00036469 0.00009499
-0.02284552 0.02473100 0.03101448
7.20014415 -0.12342106 5.95142514
0.00041488 0.00115206 0.00054132
-0.01314646 0.00895175 -0.01339771
7.05527590 2.33757248 7.93901222
-0.00055841 -0.00008494 -0.00074025
0.00063461 -0.00690452 -0.01593272
6.93032336 12.51586744 -12.86117226
0.00003700 -0.00106785 0.00002253
-0.00213636 -0.01453903 -0.00558074
5.15949382 11.92562277 -14.96734052
-0.00012073 0.00016093 -0.00103682
0.00584331 -0.02141853 0.02359239
14.26109777 4.00172400 -1.96688750
-0.00002092 0.00052199 0.00019553
-0.00528912 0.00714167 -0.00996924
14.76625979 1.27181715 -1.14613769
-0.00005072 -0.00012723 0.00075542
0.01516643 0.02094938 -0.00911042
-3.00313791 11.98649698 -0.19926047
-0.00008536 -0.00089315 -0.00026822
-0.00872775 0.00213531 0.00272196
-5.81100043 12.88618591 0.46170848
-0.00095719 -0.00018726 -0.00054827
-0.00045482 -0.00585403 0.00791291
3.32957655 11.63509919 2.33194219
0.00009815 -0.00049785 -0.00032312
-0.04169141 -0.03523450 0.00556653
6.16658232 11.45601247 2.99717557
-0.00043794 0.00078057 -0.00066650
-0.00195915 0.00628119 -0.00652014
25.26157683 -12.83700416 -8.69471238
0.00024571 -0.00028459 -0.00104058
-0.00076339 -0.00994013 0.01144467
26.00178460 -11.57380287 -11.29960215
-0.00151606 -0.00083942 0.00093925
0.01032342 -0.00444385 -0.01048259
15.90941237 -2.82463509 0.55177200
-0.00022023 0.00012404 0.00047658
-0.01608570 0.00550866 0.00666791
16.83882278 -5.20915552 -0.72539066
-0.00022742 -0.00040587 0.00007488
0.00517438 -0.00238216 -0.00310151
12.25904915 8.11495282 11.49620614
0.00139075 -0.00026542 -0.00004767
-0.01008098 0.00067730 0.01955615
13.78683819 9.38797355 9.41455524
0.00152905 -0.00062101 -0.00046022
0.00063875 -0.01085692 0.00993667
0.07342530 -14.65481271 17.23090612
0.00061493 0.00032061 -0.00033723
0.01208679 0.01463400 0.00858944
1.97793554 -12.77050109 18.83549770
0.00055901 0.00028455 0.00049921
-0.01255778 0.00402430 -0.00178097
-3.64272111 -1.61576345 -12.47529781
0.00056338 0.00075495 0.00062423
-0.00182270 0.01294030 -0.02532822
-2.63452921 -1.78587287 -15.08039275
0.00103707 -0.00011653 0.00031541
0.02715185 -0.02725417 -0.03675175
14.65142635 -7.98321601 -10.56985638
-0.00087000 -0.00024204 -0.00025903
-0.01114976 -0.01419654 -0.02024105
16.35544468 -6.32722674 -9.07170548
-0.00063344 -0.00111601 -0.00001895
0.00556740 0.00508267 0.00689697
7.08485699 -5.54447584 8.75268539
0.00004784 0.00102072 0.00069472
0.01535085 -0.00843559 -0.00657947
9.93591721 -6.55535955 7.96366362
0.00019212 0.00022170 0.00009019
-0.03425692 0.00549501 0.01106873
-20.92855111 2.13520263 21.04781394
0.00060801 0.00007209 0.00083694
-0.00669721 0.00250704 0.01819450
-22.34269483 1.21957658 23.53345530
-0.00018977 -0.00093164 -0.00097942
0.00215847 0.00404143 -0.00285525
27.02678789 -2.80072003 -6.91675685
0.00050667 0.00009321 -0.00045579
-0.00529344 -0.00760683 -0.00504328
25.63123783 -1.34761880 -8.98771697
0.00048280 -0.00022987 0.00001725
-0.00630044 -0.00703421 0.00276598
9.97982982 -15.62524493 -7.76277322
-0.00028845 0.00073701 0.00012951
-0.00140251 0.02667800 -0.01420486
9.14961612 -12.79605325 -7.38454122
-0.00077326 0.00000398 -0.00091867
-0.00094055 0.00137555 -0.00427212
-5.72473027 -11.30281142 18.35022363
0.00035480 0.00017238 0.00047839
-0.01695512 -0.01020732 -0.02519007
-6.73204733 -11.10585266 15.53888536
0.00004497 0.00024572 -0.00004806
0.00017902 0.00354859 -0.00037846
8.92880435 1.61519953 -29.51359158
0.00022225 0.00056228 -0.00018503
-0.03273290 0.01059454 -0.00507389
5.92966987 2.18473591 -30.27598191
0.00042530 -0.00115737 -0.00010321
0.00415998 -0.00849735 -0.00181229
12.77950487 15.24048894 14.64497629
-0.00055334 0.00109243 0.00010122
-0.03934133 0.01097954 0.00579310
11.57164557 16.28005573 17.16029179
0.00029456 0.00061509 0.00098953
-0.01869647 -0.00486166 -0.01530753
28.99798846 5.27975419 -4.96425368
-0.00001888 0.00034340 0.00004136
0.01158440 -0.00087362 0.01454211
27.16595496 7.02057334 -3.85101408
0.00039027 0.00032427 0.00019374
-0.01531935 0.00920299 0.00553877
-9.95117566 5.10216450 6.41739448
0.00002051 0.00029455 -0.00016694
0.00213733 0.00044121 0.00536239
-8.87981265 13.37649125 2.61656819
-0.00013552 0.00001158 0.00005234
0.00061091 -0.00234462 0.00286694
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09462522
0.32277165
430.07704342
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3381442870 (a.u.)
total exchange computation time: 2.6346099377 s
-153.9555599112
-931.41456737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3383085762 (a.u.)
total exchange computation time: 2.6348581314 s
-153.9554997232
Anderson extrapolation: theta=1.3708006845 (1.3708006845)
-931.41478059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3384691762 (a.u.)
total exchange computation time: 2.6323931217 s
-153.9560273251
Anderson extrapolation: theta=0.0595101835 (0.0595101835)
-931.41491223
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3384243191 (a.u.)
total exchange computation time: 2.6331369877 s
-153.9565841371
Anderson extrapolation: theta=2.0949230576 (2.0000000000)
-931.41491832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3383166534 (a.u.)
total exchange computation time: 2.6372580528 s
-153.9577886413
Anderson extrapolation: theta=0.2788784605 (0.2788784605)
-931.41492560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3382839480 (a.u.)
total exchange computation time: 2.6333889961 s
-153.9580830307
Anderson extrapolation: theta=1.5117869716 (1.5117869716)
-931.41492723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3382494712 (a.u.)
total exchange computation time: 2.6330988407 s
-153.9583449115
Anderson extrapolation: theta=0.3534532893 (0.3534532893)
-931.41492893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3382526026 (a.u.)
total exchange computation time: 2.6351511478 s
-153.9582665300
Anderson extrapolation: theta=1.1024369267 (1.1024369267)
-931.41492941
-118.591717 69.011288 97.424489
560.876402 1031.665193 -409.194334
442.284685 1100.676481 -311.769845
1226.501078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1340616549
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3382669272 (a.u.)
total exchange computation time: 2.6342442036 s
678.40800386
-1082.58839824
89.80746530
-389.94709082
-174.75664289
77.60904139
551.60419304
0.00000000
-931.41492971
4.06040032 -31.54982070 -2.24691084
-0.00000854 -0.00044522 -0.00013202
-0.00462598 -0.00097160 -0.00348416
-11.68579781 -1.41225777 -9.42362218
-0.00029787 0.00022259 -0.00013793
-0.00829574 0.00096245 -0.01892498
-37.53219268 2.45456699 0.21889321
0.00000306 0.00014566 -0.00003827
0.00945221 0.03657433 -0.03290023
-11.78973078 -4.19694863 4.11114650
-0.00016362 0.00012584 0.00026674
0.01365709 0.00368918 0.00148851
3.95002401 -4.16318098 8.66157265
-0.00024172 -0.00028141 -0.00045295
0.00309115 0.02880691 -0.00615067
-32.93272521 -0.25833340 0.18129850
-0.00054447 0.00003478 0.00044025
0.01390596 0.01198372 -0.00809763
14.25627783 12.51482351 -13.52519955
-0.00013671 0.00021228 -0.00016111
0.06375827 -0.00634348 -0.01184489
-7.74866358 6.11115172 2.76055115
0.00003679 0.00011739 0.00019720
0.01472341 -0.02373045 -0.04100611
7.23581131 12.10805712 -6.26074572
-0.00004877 -0.00029626 -0.00030160
0.00330256 -0.00252963 0.00092052
8.84796581 9.83527556 -19.16588753
0.00008843 -0.00035569 -0.00016738
0.01790504 -0.02388716 -0.00460950
23.19071776 17.35201861 -2.47054231
0.00012204 -0.00004684 -0.00032049
0.01889864 0.00243797 -0.00969750
2.03329534 16.93371620 -19.62772547
-0.00020320 0.00024606 0.00001798
0.01055474 -0.03222847 -0.03601936
14.03015047 -0.92528011 -5.78589835
0.00001087 -0.00020621 0.00013754
-0.01624892 -0.02059603 0.02624493
-16.14633909 -1.45875847 3.20025482
-0.00008753 -0.00009987 -0.00000947
-0.02446288 -0.00238949 0.01092563
-16.01371602 -2.35451985 18.74153559
0.00023647 -0.00021348 -0.00015798
0.00479601 -0.01326934 0.00207112
0.43093306 2.14313099 -4.61611625
-0.00006440 0.00008184 0.00011448
0.00890566 0.02977518 -0.00960024
22.74166777 -7.10932059 -8.81258190
0.00006325 -0.00001227 0.00000999
0.02364721 -0.00032376 0.00407173
-0.78204114 -6.43397633 7.30063782
-0.00011835 -0.00019960 -0.00003220
0.01192208 0.00783026 -0.00959395
-1.80239010 -1.41871328 -19.33503538
-0.00002406 -0.00006666 0.00002016
-0.02562323 -0.01233590 -0.02486078
3.07419444 1.60170550 -9.20260766
-0.00033021 -0.00000140 0.00023191
-0.01663971 0.02278302 0.00485276
-3.50451124 17.72341131 12.36881784
0.00033333 0.00007491 0.00021229
-0.03287567 0.04996437 0.02183121
-3.92522530 5.21839647 -11.31141939
-0.00018084 0.00031145 -0.00014947
0.01063725 0.04553224 0.04116424
-7.86276357 2.71755341 -8.88006519
0.00017979 0.00002952 -0.00008671
-0.03610962 -0.02023905 0.00781419
2.53126735 27.55081991 9.06180333
0.00015390 0.00001921 0.00039665
0.01544618 -0.01935264 -0.03143807
9.34461684 -6.27337458 -1.70132040
-0.00026827 -0.00004049 0.00016383
-0.00867863 0.02728962 -0.01527672
-8.64990661 0.69821741 6.23965677
0.00016192 -0.00011169 0.00013177
-0.01544009 -0.00226818 0.00965763
20.54436707 10.98217805 8.67676947
0.00005382 0.00024023 -0.00015901
-0.00690711 -0.01610476 0.01346242
-1.95228135 -2.22625897 -27.63431889
-0.00006504 0.00005955 -0.00008984
-0.01943360 0.00406170 0.01106271
-14.08795586 6.15328414 8.12361039
0.00034714 -0.00004570 0.00020474
0.00556384 0.00670445 0.00291331
-9.75567549 7.22046683 -1.92381256
-0.00026989 -0.00005343 0.00046511
-0.01479655 -0.01702900 0.02423386
-1.80626348 -15.03043838 22.96206401
-0.00011605 0.00022564 -0.00058714
0.07361328 0.01069570 -0.04157210
-2.78193325 6.23752804 -6.04673499
-0.00009053 -0.00021995 0.00013480
-0.01517631 -0.00560391 0.00392642
-20.51873669 30.01620554 4.24433161
-0.00046144 -0.00054686 0.00009445
0.03810973 -0.01287496 -0.01461583
7.80928084 0.73258463 7.45376050
0.00026197 0.00041274 -0.00007696
0.02095277 0.00346269 0.03653301
5.83029726 11.05156202 -13.41764338
0.00024278 -0.00049262 0.00002216
-0.00151369 0.03679600 -0.04211051
15.64828668 2.88763472 -1.56666937
0.00011759 0.00025725 0.00038004
-0.01545767 -0.02425535 0.01989925
-4.44942210 12.94540853 -0.76920672
0.00007161 -0.00039121 -0.00000266
0.00970363 0.00044724 -0.01679909
4.77562935 12.60437420 2.44368181
0.00008803 0.00016725 -0.00020677
0.03639091 0.02024439 0.01746576
25.00864085 -11.41775016 -9.76547555
-0.00017645 0.00020400 0.00028830
-0.01598541 0.01326160 0.01549836
16.97748133 -3.37528511 -0.78891726
0.00043962 0.00042294 -0.00013863
0.00448352 -0.01028663 0.00377386
13.55722431 7.74014016 10.28589007
0.00028221 -0.00029916 0.00001531
0.02551109 0.00423188 -0.04077746
1.82661552 -14.01236034 17.51092388
0.00025274 0.00002759 -0.00011085
0.00381982 -0.00733780 -0.00548325
-3.62672940 -0.70302577 -14.14590009
0.00008965 -0.00002664 0.00022885
-0.02844014 0.00998724 0.06247777
15.00845812 -7.61369228 -8.84607219
0.00028635 -0.00015402 -0.00003383
0.00636844 -0.00603990 0.00993924
8.39510775 -6.86760536 8.99933786
0.00011030 0.00032667 0.00012961
0.01511411 0.00910787 -0.00477080
-21.10416703 2.45361812 22.89701780
0.00007753 0.00032661 0.00001139
-0.00280367 -0.00238873 -0.01268831
25.75989652 -3.05775783 -8.25274280
0.00017145 0.00017258 -0.00005170
0.01690613 0.00175435 0.00891583
9.94407948 -13.93805977 -8.61290185
0.00005515 -0.00015745 -0.00032940
-0.00629640 -0.02749226 0.01797155
-6.66526935 -12.23405948 16.96957585
0.00011832 0.00031462 0.00001792
0.01590400 0.01011455 0.03392251
7.41128052 2.72556218 -29.33309166
-0.00036443 -0.00045996 -0.00001759
0.03745815 0.00331314 0.01216723
10.96268769 15.82052492 15.45436325
-0.00021659 0.00027239 0.00002863
0.04395647 -0.00368822 0.01638528
28.84689529 6.42797643 -3.47783777
0.00013042 0.00021210 -0.00006173
0.00923271 -0.01569987 -0.01321065
5.17208179 -32.19506468 -3.57253470
-0.00059806 -0.00018336 -0.00034199
0.00178979 0.00321359 -0.00057647
4.80151154 -31.79384691 -0.54570928
-0.00049151 -0.00058857 -0.00053582
-0.00189073 0.00384762 -0.01346630
-12.34226779 -3.12877153 -9.58634319
-0.00085763 -0.00026830 -0.00100341
0.00218215 0.00777374 0.00155564
-12.03549097 -0.51262152 -11.01741077
0.00028518 0.00016248 -0.00060998
0.00084013 -0.01348356 0.01512898
-38.93521365 2.45129376 1.35387049
0.00018478 0.00020804 -0.00028223
-0.00986165 -0.00374515 0.00320966
-37.81022233 3.96677338 -0.93792878
0.00022135 0.00076136 -0.00066612
0.00328058 -0.02412799 0.01685491
-10.82795175 -5.50668331 3.19144826
0.00026348 -0.00089408 -0.00026442
-0.00446803 0.00625470 0.01093015
-10.54278777 -2.86854133 4.47615763
0.00012363 0.00020620 0.00096969
-0.01064171 -0.00646210 -0.00512066
4.06231619 -2.29536551 8.44655123
-0.00023245 0.00050379 -0.00006898
0.00046575 -0.02676842 -0.00220635
3.63693878 -4.27926031 10.45369205
0.00011397 -0.00047285 0.00001709
-0.00019849 -0.00206848 0.01418697
-34.59386682 -0.93147439 0.28702017
-0.00078037 0.00043493 0.00050251
-0.01317279 -0.01131107 0.00496261
-33.38418333 1.51133879 0.12392026
-0.00106449 0.00101168 -0.00092918
-0.00040685 0.00071038 0.00297074
13.22160357 13.14478534 -14.85123855
0.00022119 -0.00006092 0.00152073
-0.00492436 0.00455412 -0.01956532
16.05893589 12.38363258 -14.32277595
-0.00031914 -0.00053599 -0.00027203
-0.05160532 0.00434889 0.02347691
-7.92157377 7.61086418 1.68789017
0.00071889 -0.00045871 -0.00040163
-0.00304399 -0.01064792 0.00615494
-7.35404399 4.72913841 1.38718971
0.00000173 -0.00032259 -0.00000003
-0.00650750 0.03264174 0.03712926
6.24805059 12.33139476 -7.78969468
-0.00037841 -0.00024803 -0.00070726
0.00046416 0.00139438 0.00460783
8.54865225 13.43397268 -6.22386974
-0.00015965 0.00068543 0.00016350
0.00271462 0.00446820 -0.00980685
8.93236093 8.17210981 -19.99608024
0.00012017 -0.00060553 0.00027320
-0.00301038 0.01828895 0.00968235
10.63015312 10.44161700 -19.05857190
0.00041090 0.00046919 0.00060335
-0.01883579 0.00222662 -0.00479295
24.28617370 15.90102714 -2.82708653
-0.00002215 0.00058108 -0.00003070
-0.00335212 -0.00859819 0.00041015
24.30149593 18.72845182 -3.03602196
0.00109686 -0.00042086 0.00028712
-0.00091220 -0.00519115 0.01094613
1.54381043 16.78905768 -21.52751167
0.00029757 -0.00030363 0.00051515
0.00989276 0.01077283 0.03991915
3.34384293 15.51927626 -19.45590985
-0.00038828 -0.00029391 -0.00008079
-0.02401253 0.02884683 0.00032511
13.28451395 -1.94469855 -7.10305775
0.00113054 -0.00032067 -0.00042282
-0.00169587 -0.00504272 -0.00806660
12.67420281 -1.05991852 -4.51222473
-0.00053464 0.00027747 -0.00025900
0.01753246 0.00714914 -0.00661556
-17.91377344 -2.02702194 3.40257611
-0.00074757 -0.00116151 0.00077014
0.01999974 -0.00141278 -0.00820596
-15.14422376 -2.97706722 3.09573904
-0.00037119 -0.00053472 0.00110163
0.00552837 -0.00501483 0.00328311
-15.86632773 -0.63298834 19.24813391
0.00164564 0.00039296 -0.00069791
-0.00150662 0.01690681 0.00524422
-14.71895535 -3.22914064 19.74298219
0.00084996 -0.00077172 -0.00011049
-0.00930933 -0.00364350 -0.00989591
-0.22097187 0.49737801 -5.06378474
-0.00052099 0.00062240 -0.00003111
-0.01743942 -0.00774600 -0.00156688
-0.77026261 3.51784184 -5.11956831
0.00053065 -0.00002182 0.00014965
0.00387293 -0.01973434 0.00817688
23.93009634 -8.52105194 -9.19719959
0.00005654 -0.00060025 0.00009204
-0.01713386 0.00524260 0.00709160
23.81511582 -5.74575041 -8.12320052
-0.00073612 0.00062126 0.00020478
-0.00844760 -0.00719745 -0.00934980
-0.56629657 -6.12645691 5.49240981
-0.00008423 0.00048051 0.00028591
0.00154483 -0.00040293 0.00635815
0.90007747 -5.97579848 7.97204821
-0.00001721 0.00117574 -0.00114058
-0.01492420 -0.00103890 -0.00528064
-0.27742705 -2.36268437 -19.53646206
-0.00072811 0.00006411 0.00016528
0.01264669 -0.00934108 0.00478273
-2.93209657 -2.32955123 -20.59206162
0.00090700 -0.00056972 -0.00049307
0.01749081 0.01823336 0.01759807
2.87790149 3.05079972 -10.33174774
-0.00007610 -0.00036549 -0.00105440
-0.00156268 -0.00394430 -0.00958877
1.90839698 1.96841128 -7.76455377
0.00093601 0.00052698 -0.00014973
0.01205614 -0.00349078 -0.00325585
-2.14610297 16.60633209 12.40190230
0.00009798 -0.00023482 -0.00025808
0.04007764 -0.03678578 -0.00824402
-3.05088380 18.72556651 13.92719771
0.00091974 0.00068599 -0.00060636
-0.01142572 -0.00577277 -0.01435704
-5.50839883 6.14654002 -11.48503584
0.00076944 -0.00097981 -0.00167640
-0.00442677 -0.00686536 -0.00666939
-3.80772088 3.81675743 -12.33503894
0.00036812 0.00088674 0.00003113
-0.00264128 -0.03665069 -0.03282798
-8.01608170 1.15688992 -7.80128915
-0.00082957 -0.00018175 0.00002509
-0.00014644 0.02909639 -0.00751673
-6.12327153 2.91838261 -9.06985344
-0.00077387 -0.00028619 0.00075867
0.03204614 0.00963109 -0.00590964
2.85446288 27.26052132 7.20359071
-0.00082855 -0.00051982 0.00052677
-0.00992557 0.00848392 0.03544971
1.43036769 28.97121755 9.06331952
0.00020445 0.00020527 -0.00010227
-0.01197447 0.00895421 0.00201602
10.43756374 -6.86075363 -0.43237199
-0.00055736 0.00065488 0.00020519
0.01679147 -0.01538241 0.02145743
8.23407979 -7.60804713 -2.15984022
-0.00018905 -0.00010633 0.00093296
-0.00760412 -0.00996375 -0.00058074
-7.28132979 -0.06177318 7.21444751
-0.00097049 -0.00001653 0.00069492
0.00432058 0.00369794 -0.00241956
-10.19618368 0.52889120 7.24730794
-0.00042552 -0.00061170 0.00079526
0.01025778 -0.00448818 -0.00734269
20.86302547 11.26279559 10.47825668
-0.00049334 0.00028914 -0.00012955
-0.00007538 -0.00323656 -0.01468364
20.50739133 12.65431204 7.95564372
0.00095471 -0.00057291 -0.00019009
0.00937645 0.01514049 -0.00052102
-1.02114139 -3.68254148 -26.90689822
-0.00023459 -0.00191127 -0.00071615
-0.01204227 0.00935075 0.00424836
-3.36260518 -1.78058486 -26.45222473
0.00030909 0.00012861 -0.00044417
0.01975142 -0.01464684 -0.01590882
-13.50960533 6.76461933 9.76930626
-0.00045152 -0.00040413 0.00076849
-0.00766089 -0.00240487 -0.00723130
-15.12028068 7.55168675 7.49650799
0.00075716 0.00041545 0.00110382
0.00587313 -0.00517857 0.00737654
-11.58142850 7.46236056 -1.85121645
-0.00021516 -0.00095168 0.00002352
0.01140081 0.00110761 -0.01441573
-9.00524407 8.06455354 -3.32435195
-0.00067441 0.00030465 0.00029506
0.00112189 0.01820947 -0.02050661
-0.88669142 -16.57843358 22.38014039
-0.00038971 0.00079212 0.00014784
-0.01889553 0.00877605 0.01246395
-3.33064826 -15.41185786 23.64751819
0.00113292 0.00014508 -0.00009476
-0.05820385 -0.02533692 0.02613129
-3.04446087 5.97616902 -7.88635486
-0.00090148 -0.00075133 0.00053336
-0.00651582 0.00356399 0.01381337
-4.43971952 6.60701691 -5.19288403
0.00064902 0.00011725 0.00018029
0.02838864 -0.00293652 -0.02513642
-21.77690232 29.76420740 2.94489145
0.00063491 -0.00017095 0.00001510
-0.01276247 -0.00198143 -0.00595756
-21.26699721 31.01731023 5.47600432
0.00013044 0.00046234 0.00021597
-0.02178648 0.02307081 0.02820608
7.20596446 -0.10586589 5.95913446
0.00035778 0.00118104 0.00047599
-0.01480083 0.00523607 -0.01858600
7.04691926 2.33608674 7.92742019
-0.00055613 -0.00010913 -0.00080279
0.00048080 -0.00493305 -0.01468122
6.93081291 12.49940424 -12.86100537
0.00003070 -0.00112287 0.00000122
-0.00094755 -0.01239633 -0.00484979
5.15786187 11.92738042 -14.98216982
-0.00009098 0.00006721 -0.00092792
0.00872015 -0.02445896 0.02971414
14.26062185 4.00977269 -1.96426000
-0.00003910 0.00054765 0.00015598
-0.00360943 0.00541969 -0.00939025
14.76596379 1.27055068 -1.13508554
0.00001326 -0.00003659 0.00071674
0.01614876 0.02341767 -0.00982471
-3.00468576 11.97316522 -0.20320030
-0.00012246 -0.00088421 -0.00025626
-0.00943243 0.00224042 0.00312985
-5.82537221 12.88319759 0.45372691
-0.00095401 -0.00021179 -0.00051878
0.00201197 -0.00615430 0.00652352
3.32977124 11.62655174 2.32726597
-0.00006412 -0.00063632 -0.00029988
-0.03774006 -0.03254519 0.00580909
6.15995322 11.46791356 2.98697835
-0.00043730 0.00079951 -0.00068938
0.00227198 0.00298649 -0.00468249
25.26523914 -12.84157764 -8.70997039
0.00024190 -0.00032920 -0.00098855
-0.00110130 -0.01189318 0.01402541
25.97936007 -11.58653041 -11.28583468
-0.00146584 -0.00085648 0.00088158
0.01425825 -0.00390716 -0.01774394
15.90561598 -2.82260567 0.55912501
-0.00027777 0.00014322 0.00049423
-0.01207853 0.00388185 0.00197477
16.83557007 -5.21531652 -0.72436250
-0.00020468 -0.00040274 0.00006120
0.00595523 0.00391043 -0.00359306
12.27960141 8.11099233 11.49609029
0.00134069 -0.00025893 0.00003936
-0.01442269 0.00249597 0.02304695
13.80979348 9.37832573 9.40795639
0.00152890 -0.00066642 -0.00041736
-0.00071229 -0.01137027 0.01104277
0.08301967 -14.64955510 17.22611091
0.00065934 0.00037856 -0.00030225
0.00964929 0.01373398 0.00853245
1.98593586 -12.76610953 18.84293128
0.00050637 0.00029422 0.00048444
-0.01321121 0.00071086 -0.00544830
-3.63432632 -1.60404262 -12.46671049
0.00055578 0.00080639 0.00052066
-0.00189659 0.01223730 -0.02536775
-2.61814107 -1.78845598 -15.07678784
0.00114012 -0.00021968 0.00017361
0.02328743 -0.02323686 -0.03265891
14.63803473 -7.98728157 -10.57436206
-0.00091286 -0.00029792 -0.00033347
-0.00983158 -0.01315825 -0.01620033
16.34611362 -6.34381121 -9.07177836
-0.00060060 -0.00108562 0.00000751
0.01051158 0.00979460 0.00605408
7.08604501 -5.52942354 8.76290461
0.00011424 0.00098178 0.00066765
0.01715363 -0.01062677 -0.00667344
9.93774933 -6.55186570 7.96535564
0.00005189 0.00024475 0.00013523
-0.03438844 0.00578840 0.01098066
-20.91963621 2.13636074 21.06092558
0.00058243 0.00008202 0.00090162
-0.00582210 0.00235617 0.01346648
-22.34547525 1.20572575 23.51867650
-0.00017505 -0.00090832 -0.00099189
0.00504900 0.00737513 -0.00324727
27.03422570 -2.79955502 -6.92374824
0.00048557 0.00006190 -0.00047500
-0.00503483 -0.00771847 -0.00435962
25.63828680 -1.35128236 -8.98737343
0.00045578 -0.00025340 0.00002651
-0.00692899 -0.00448744 0.00176415
9.97546011 -15.61337230 -7.76126589
-0.00029333 0.00083810 0.00007427
-0.00098788 0.02280829 -0.01283356
9.13798838 -12.79595140 -7.39845222
-0.00077629 0.00000992 -0.00093662
-0.00054195 0.00153029 -0.00451356
-5.71992777 -11.30053856 18.35662760
0.00028379 0.00012976 0.00037232
-0.01780743 -0.01065546 -0.02673413
-6.73136724 -11.10205809 15.53815292
0.00004610 0.00026059 -0.00004889
0.00037194 0.00373119 -0.00003211
8.93113511 1.62395831 -29.51652253
0.00009003 0.00060389 -0.00020583
-0.03199255 0.00977482 -0.00510919
5.93617690 2.16711492 -30.27758559
0.00043790 -0.00119263 -0.00011325
0.00200803 -0.00876138 -0.00310011
12.76999926 15.25721180 14.64667213
-0.00071232 0.00113517 0.00012477
-0.03848201 0.00994163 0.00573662
11.57549109 16.28913312 17.17466570
0.00021362 0.00059146 0.00091398
-0.02092510 -0.00670493 -0.02167426
28.99806017 5.28487847 -4.96318760
0.00002823 0.00033845 0.00009886
0.01147885 -0.00155203 0.01360092
27.17133957 7.02571933 -3.84793820
0.00032439 0.00036284 0.00021553
-0.01692692 0.00967883 0.00512819
-9.95086225 5.10658387 6.41490484
0.00002125 0.00029467 -0.00016501
0.00201092 0.00024806 0.00541620
-8.88184444 13.37666086 2.61735828
-0.00013537 0.00001105 0.00005298
0.00068382 -0.00223021 0.00263344
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09478245
0.32014727
426.58018195
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3402514877 (a.u.)
total exchange computation time: 2.6629188061 s
-153.9607246750
-931.41174734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3403534769 (a.u.)
total exchange computation time: 2.6629159451 s
-153.9611239140
Anderson extrapolation: theta=1.3624068573 (1.3624068573)
-931.41196928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3404235098 (a.u.)
total exchange computation time: 2.6635768414 s
-153.9623076639
Anderson extrapolation: theta=0.0564686745 (0.0564686745)
-931.41210530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3403709891 (a.u.)
total exchange computation time: 2.6654510498 s
-153.9629194703
Anderson extrapolation: theta=2.0613148656 (2.0000000000)
-931.41211128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3402506549 (a.u.)
total exchange computation time: 2.6621019840 s
-153.9642248274
Anderson extrapolation: theta=0.2664971692 (0.2664971692)
-931.41211836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3402188928 (a.u.)
total exchange computation time: 2.6638531685 s
-153.9645192524
Anderson extrapolation: theta=1.6739757821 (1.6739757821)
-931.41211997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3401853432 (a.u.)
total exchange computation time: 2.6656839848 s
-153.9647992316
Anderson extrapolation: theta=0.3371451959 (0.3371451959)
-931.41212187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3401931391 (a.u.)
total exchange computation time: 2.6629850864 s
-153.9646972436
Anderson extrapolation: theta=1.1688926476 (1.1688926476)
-931.41212241
-162.999046 68.997044 97.463634
560.899015 1031.654674 -409.184606
397.899968 1100.651718 -311.720972
1211.168259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1344510546
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3402152058 (a.u.)
total exchange computation time: 2.6436879635 s
678.42795446
-1082.66054483
89.81779460
-389.89664222
-174.76046963
77.64776778
551.60419304
0.00000000
-931.41212282
4.06025442 -31.55650269 -2.24890455
-0.00001168 -0.00044543 -0.00013420
-0.00758439 0.00014320 -0.00502083
-11.69029779 -1.40891526 -9.42576410
-0.00030267 0.00022201 -0.00014823
-0.01038773 -0.00321520 -0.02114676
-37.53211037 2.45689301 0.21819229
0.00000835 0.00016522 -0.00005618
0.01113239 0.03949103 -0.03675922
-11.79213247 -4.19504673 4.11515337
-0.00015541 0.00012684 0.00026683
0.01829115 0.00017027 -0.00116163
3.94641012 -4.16729105 8.65475471
-0.00024019 -0.00026556 -0.00045537
0.00284662 0.03282610 -0.00326482
-32.94083856 -0.25776540 0.18787095
-0.00053801 0.00004294 0.00043594
0.01118785 0.01972842 -0.00865731
14.25447316 12.51798321 -13.52766182
-0.00010212 0.00020766 -0.00016460
0.07074209 -0.01160155 -0.00172554
-7.74805490 6.11282107 2.76335097
0.00004450 0.00010465 0.00017597
0.01526115 -0.02582640 -0.04154764
7.23509246 12.10360350 -6.26526616
-0.00004696 -0.00029672 -0.00030188
0.00375440 0.00073019 -0.00199826
8.84936130 9.82984801 -19.16841603
0.00009823 -0.00036745 -0.00016956
0.02019576 -0.02182588 -0.00384626
23.19262132 17.35132544 -2.47538707
0.00013148 -0.00004468 -0.00032538
0.01777790 0.00595862 -0.00933447
2.03028800 16.93728275 -19.62759464
-0.00019736 0.00022913 0.00000005
0.01217019 -0.03360152 -0.03373593
14.03025091 -0.92845273 -5.78373406
0.00000252 -0.00021664 0.00015090
-0.01622566 -0.01996351 0.02572996
-16.14774640 -1.46026577 3.20015488
-0.00010157 -0.00010203 -0.00000368
-0.03011582 -0.00600494 0.01161164
-16.01015041 -2.35777321 18.73917390
0.00023985 -0.00021970 -0.00015598
0.00831553 -0.01091978 0.00568426
0.43000140 2.14447338 -4.61443602
-0.00005930 0.00009704 0.00010984
0.01092109 0.02935407 -0.00847653
22.74270775 -7.10950584 -8.81241638
0.00007555 -0.00001281 0.00001199
0.02419012 -0.00180081 0.00371346
-0.78377042 -6.43694018 7.30011774
-0.00011195 -0.00019538 -0.00003702
0.01297868 0.00860296 -0.00912425
-1.80284977 -1.41976076 -19.33482883
-0.00003817 -0.00007248 0.00000734
-0.02927730 -0.01028024 -0.02502069
3.06917715 1.60177243 -9.19911035
-0.00033777 0.00001059 0.00023257
-0.01276027 0.02383708 -0.00228832
-3.49963808 17.72472763 12.37208646
0.00031672 0.00010036 0.00022309
-0.03173722 0.04902044 0.02014744
-3.92789693 5.22324380 -11.31350262
-0.00017367 0.00033440 -0.00012765
0.01727541 0.04374348 0.04368283
-7.86020595 2.71791815 -8.88133563
0.00015857 0.00001853 -0.00008228
-0.04641319 -0.02251775 0.00939713
2.53363538 27.55103344 9.06763184
0.00016144 0.00000962 0.00038080
0.01387848 -0.01795735 -0.03022365
9.34055931 -6.27387674 -1.69892182
-0.00027294 -0.00002606 0.00015549
-0.00947220 0.02886114 -0.01716452
-8.64753740 0.69653329 6.24167059
0.00015188 -0.00011272 0.00013729
-0.02358614 -0.00171372 0.01179002
20.54514765 10.98571931 8.67443618
0.00005028 0.00023058 -0.00015165
-0.00685632 -0.02139408 0.01517534
-1.95333192 -2.22535002 -27.63562388
-0.00007349 0.00006003 -0.00008413
-0.01342378 -0.00220676 0.01116107
-14.08272727 6.15262443 8.12669275
0.00035018 -0.00004229 0.00020670
0.00623770 0.00658157 0.00470415
-9.75978085 7.21959972 -1.91674239
-0.00027693 -0.00006201 0.00047710
-0.01258394 -0.01634516 0.02236555
-1.80772033 -15.02701250 22.95309653
-0.00007703 0.00023262 -0.00060910
0.07814881 0.01645131 -0.04381614
-2.78334967 6.23420723 -6.04469785
-0.00009759 -0.00022289 0.00013664
-0.01230640 -0.00584934 0.00324992
-20.52551124 30.00795299 4.24569191
-0.00044132 -0.00055267 0.00008883
0.04013118 -0.00972875 -0.00723363
7.81329114 0.73878909 7.45274700
0.00027321 0.00041482 -0.00005726
0.02277960 0.00462439 0.04009331
5.83393312 11.04431465 -13.41747349
0.00024098 -0.00047374 -0.00000093
-0.00546809 0.03663293 -0.04764208
15.64999087 2.89139992 -1.56089204
0.00010897 0.00024481 0.00039027
-0.01804410 -0.02411889 0.01987498
-4.44831053 12.93954217 -0.76931146
0.00007603 -0.00039089 -0.00001100
0.00750529 0.00077847 -0.01561604
4.77709015 12.60696109 2.44064770
0.00010410 0.00017754 -0.00019828
0.02610538 0.01973861 0.01551972
25.00593247 -11.41463893 -9.76109132
-0.00018543 0.00021104 0.00029744
-0.01895571 0.01411058 0.02006481
16.98409295 -3.36898070 -0.79098211
0.00044074 0.00041652 -0.00013531
-0.00013645 -0.01467955 0.00913995
13.56155584 7.73566911 10.28596248
0.00029647 -0.00029731 -0.00000676
0.02994188 0.00295780 -0.04506607
1.83042136 -14.01197478 17.50924002
0.00025557 0.00002490 -0.00011271
0.00717765 -0.00314687 -0.00174313
-3.62549432 -0.70338685 -14.14222628
0.00007635 -0.00002256 0.00025952
-0.02329379 0.00587398 0.05676718
15.01277797 -7.61602582 -8.84654123
0.00028773 -0.00015871 -0.00002962
-0.00101990 -0.01219843 0.00642892
8.39682057 -6.86267024 9.00126363
0.00011755 0.00033169 0.00012726
0.01305615 0.01043516 -0.00438382
-21.10301488 2.45850808 22.89713972
0.00007515 0.00032461 0.00000639
-0.00645596 -0.00540646 -0.00674078
25.76253352 -3.05516235 -8.25348386
0.00018014 0.00017275 -0.00004705
0.01688690 -0.00108461 0.00914422
9.94488246 -13.94052751 -8.61777356
0.00005173 -0.00017038 -0.00032051
-0.00699884 -0.02280017 0.01659834
-6.66343323 -12.22930120 16.96997543
0.00012653 0.00031981 0.00003550
0.01601637 0.01007667 0.03445023
7.40595848 2.71867556 -29.33330856
-0.00034502 -0.00045783 -0.00001097
0.03804755 0.00495610 0.01356426
10.95960844 15.82459647 15.45485592
-0.00019382 0.00027106 0.00003852
0.04459305 -0.00145811 0.02208070
28.84888719 6.43109741 -3.47881468
0.00013546 0.00020408 -0.00006816
0.01036697 -0.01548613 -0.01180771
5.16316567 -32.19771668 -3.57768228
-0.00058749 -0.00017189 -0.00034672
0.00338683 0.00240126 -0.00173588
4.79408096 -31.80255754 -0.55415930
-0.00049562 -0.00057386 -0.00058565
-0.00012241 0.00335430 -0.01092569
-12.35506531 -3.13255781 -9.60134663
-0.00084456 -0.00022711 -0.00099524
0.00421260 0.01239099 0.00244237
-12.03118750 -0.51059744 -11.02609689
0.00028901 0.00010677 -0.00054534
0.00103378 -0.01378834 0.01651110
-38.93274415 2.45429956 1.34973535
0.00014064 0.00019294 -0.00026638
-0.01174353 -0.00364482 0.00455169
-37.80680159 3.97745439 -0.94740405
0.00023506 0.00065677 -0.00059224
0.00343439 -0.02706805 0.01930830
-10.82413645 -5.51990284 3.18781687
0.00023885 -0.00085767 -0.00021214
-0.00758659 0.01156781 0.01466135
-10.54125940 -2.86564634 4.49054600
0.00007745 0.00017568 0.00094678
-0.01196637 -0.00847942 -0.00609261
4.05884366 -2.28862896 8.44544898
-0.00023114 0.00038601 -0.00007710
0.00017735 -0.03088235 -0.00176953
3.63864222 -4.28641646 10.45438318
0.00011387 -0.00048078 0.00006863
0.00015277 -0.00181055 0.01103940
-34.60597599 -0.92529703 0.29470991
-0.00083289 0.00038921 0.00052325
-0.01253895 -0.01107010 0.00519167
-33.40016308 1.52653574 0.11007355
-0.00106193 0.00099820 -0.00091617
0.00165838 -0.00730910 0.00339772
13.22477052 13.14401106 -14.82902708
0.00018554 -0.00003288 0.00142132
-0.01252551 0.00917212 -0.02909886
16.05256747 12.37572596 -14.32613697
-0.00052853 -0.00051678 -0.00017690
-0.05089108 0.00505758 0.02308846
-7.91088372 7.60365717 1.68205434
0.00070549 -0.00049898 -0.00037725
-0.00351568 -0.00906159 0.00577751
-7.35421746 4.72529984 1.38832694
-0.00002486 -0.00018830 0.00015353
-0.00650706 0.03309137 0.03804316
6.24238868 12.32771703 -7.80016235
-0.00037214 -0.00024275 -0.00068203
0.00260488 0.00119191 0.00774262
8.54634072 13.44439105 -6.22171779
-0.00015403 0.00069742 0.00012263
0.00003353 0.00140274 -0.01020052
8.93407125 8.16358735 -19.99168552
0.00010940 -0.00053042 0.00031261
-0.00226067 0.01847733 0.00960991
10.63573945 10.44872302 -19.04966852
0.00032770 0.00047414 0.00058211
-0.02189373 0.00019863 -0.00560274
24.28573879 15.90947990 -2.82753454
-0.00003203 0.00053818 -0.00003042
-0.00148613 -0.01240488 -0.00027046
24.31792080 18.72197987 -3.03137967
0.00109083 -0.00044112 0.00033169
-0.00203579 -0.00472533 0.01086795
1.54857705 16.78483333 -21.51856119
0.00033543 -0.00025878 0.00067303
0.00864306 0.01118037 0.03736649
3.33728291 15.51575157 -19.45711180
-0.00048689 -0.00017442 -0.00007849
-0.02425592 0.02964242 0.00080484
13.30142013 -1.94966317 -7.10964728
0.00112295 -0.00034123 -0.00045369
-0.00201916 -0.00502075 -0.00704284
12.66672040 -1.05553745 -4.51631242
-0.00046280 0.00030561 -0.00028758
0.01763419 0.00662752 -0.00737452
-17.92437413 -2.04448789 3.41387669
-0.00065453 -0.00116194 0.00073469
0.02554594 0.00120417 -0.00914679
-15.14962221 -2.98524170 3.11236412
-0.00034841 -0.00055247 0.00111497
0.00562221 -0.00367517 0.00324659
-15.84168924 -0.62657594 19.23782590
0.00163847 0.00045238 -0.00067918
-0.00200595 0.01218014 0.00392394
-14.70649122 -3.24082811 19.74102155
0.00080542 -0.00078201 -0.00015550
-0.01249088 -0.00139225 -0.01213407
-0.22932119 0.50647661 -5.06429944
-0.00059237 0.00058698 -0.00003827
-0.01750138 -0.00959041 -0.00193887
-0.76218424 3.51690980 -5.11707293
0.00054321 -0.00009821 0.00018190
0.00227528 -0.01765640 0.00760686
23.93041946 -8.52989497 -9.19560162
-0.00001532 -0.00057322 0.00012274
-0.01804313 0.00798468 0.00793315
23.80381509 -5.73665210 -8.12041525
-0.00076932 0.00058956 0.00016578
-0.00780041 -0.00832019 -0.00974275
-0.56751273 -6.11926155 5.49689324
-0.00007999 0.00047841 0.00030784
0.00053351 -0.00062684 0.00438094
0.89936193 -5.95819415 7.95477774
-0.00007786 0.00117055 -0.00115909
-0.01476190 -0.00150261 -0.00377947
-0.28796115 -2.36200902 -19.53383623
-0.00066571 0.00002120 0.00018491
0.01789901 -0.01166115 0.00482309
-2.91795559 -2.33753826 -20.59891847
0.00097491 -0.00049437 -0.00042141
0.01575383 0.01865086 0.01748316
2.87671208 3.04519657 -10.34785751
-0.00008238 -0.00038628 -0.00108778
-0.00151164 -0.00623456 -0.00675345
1.92280662 1.97620906 -7.76689942
0.00097714 0.00051509 -0.00015476
0.00807514 -0.00233228 0.00079048
-2.14340521 16.60168261 12.39777842
0.00025900 -0.00038285 -0.00029131
0.03874438 -0.03567579 -0.00801807
-3.03743781 18.73567949 13.91766242
0.00087329 0.00066247 -0.00066255
-0.01131196 -0.00574214 -0.01315218
-5.49699282 6.13163257 -11.51038617
0.00073569 -0.00099707 -0.00170335
-0.01209551 -0.00158577 -0.00652192
-3.80227999 3.82893549 -12.33557788
0.00036009 0.00072921 -0.00010779
-0.00129009 -0.04046293 -0.03517743
-8.02852972 1.15505532 -7.80114314
-0.00082874 -0.00006056 -0.00000709
0.00055154 0.03022402 -0.00823393
-6.13389755 2.91438483 -9.05865445
-0.00062325 -0.00024499 0.00073307
0.04168018 0.01053954 -0.00662421
2.84173048 27.25298398 7.21257858
-0.00086712 -0.00048606 0.00066803
-0.00895241 0.00804031 0.03369516
1.43306749 28.97457105 9.06184719
0.00015681 0.00023973 -0.00009311
-0.01134574 0.00791380 0.00246942
10.42971793 -6.85140172 -0.42863669
-0.00048508 0.00059079 0.00029721
0.01859022 -0.01599320 0.02359079
8.23101101 -7.60994740 -2.14586359
-0.00022210 -0.00014917 0.00092975
-0.00857408 -0.01100734 -0.00099023
-7.29575469 -0.06190775 7.22479710
-0.00094519 -0.00000469 0.00068828
0.00806350 0.00209601 -0.00083007
-10.20225212 0.51957822 7.25901189
-0.00037476 -0.00062737 0.00075742
0.01458990 -0.00318254 -0.01118366
20.85562306 11.26703351 10.47586344
-0.00049357 0.00027603 -0.00018842
-0.00003657 -0.00318037 -0.01413471
20.52199934 12.64618236 7.95277646
0.00099239 -0.00050078 -0.00019671
0.00906540 0.02016535 -0.00272302
-1.02502928 -3.71092403 -26.91751025
-0.00029021 -0.00186001 -0.00070268
-0.01518284 0.01574129 0.00234168
-3.35736357 -1.77910450 -26.45937481
0.00038489 0.00006951 -0.00050475
0.01735393 -0.01428572 -0.01374493
-13.51661286 6.75848370 9.78061200
-0.00048179 -0.00041554 0.00073792
-0.00715636 -0.00318246 -0.00773012
-15.10874324 7.55775986 7.51329127
0.00077879 0.00039633 0.00113112
0.00471473 -0.00418238 0.00598914
-11.58430649 7.44811934 -1.85130537
-0.00017197 -0.00094651 -0.00003447
0.00974030 0.00141958 -0.01397006
-9.01532577 8.06968129 -3.32055442
-0.00067047 0.00037716 0.00021382
0.00080523 0.01728352 -0.01926335
-0.89311605 -16.56628286 22.38273991
-0.00046135 0.00081986 0.00019462
-0.01617562 0.00480372 0.01043501
-3.31543805 -15.41045804 23.64689758
0.00088010 0.00003808 0.00002012
-0.06555186 -0.02703885 0.03010348
-3.05818278 5.96500828 -7.87793121
-0.00092752 -0.00073654 0.00058717
-0.00622741 0.00367547 0.01252930
-4.42911436 6.60868562 -5.19094997
0.00075827 0.00010638 0.00008148
0.02509266 -0.00238496 -0.02323001
-21.76776977 29.76158245 2.94493546
0.00057506 -0.00017955 -0.00001567
-0.01653622 -0.00223072 -0.00910573
-21.26570816 31.02495236 5.48010821
0.00004507 0.00055096 0.00032284
-0.02000338 0.02030511 0.02410453
7.21087768 -0.08798983 5.96570472
0.00029431 0.00119512 0.00039009
-0.01627041 0.00165613 -0.02346165
7.03859209 2.33429866 7.91492839
-0.00055464 -0.00012483 -0.00085996
0.00024499 -0.00275524 -0.01329938
6.93124438 12.48218132 -12.86113571
0.00002978 -0.00116850 -0.00001683
0.00049543 -0.00993955 -0.00398474
5.15676435 11.92763907 -14.99517804
-0.00005054 -0.00003761 -0.00079643
0.01107872 -0.02685110 0.03465006
14.25992473 4.01815354 -1.96220798
-0.00005003 0.00056597 0.00011899
-0.00173840 0.00354563 -0.00871784
14.76665749 1.27071939 -1.12463551
0.00008044 0.00006261 0.00067552
0.01673562 0.02514430 -0.01035425
-3.00681169 11.95997076 -0.20694831
-0.00016200 -0.00087508 -0.00024260
-0.00992218 0.00222565 0.00355818
-5.83962068 12.87983210 0.44614514
-0.00094053 -0.00023748 -0.00049518
0.00458483 -0.00641689 0.00502780
3.32765299 11.61600973 2.32294577
-0.00020676 -0.00076144 -0.00027533
-0.03208579 -0.02870223 0.00620893
6.15346335 11.47999768 2.97649415
-0.00041886 0.00080450 -0.00070456
0.00675628 -0.00054175 -0.00274905
25.26883396 -12.84688001 -8.72436883
0.00023653 -0.00038069 -0.00092678
-0.00153174 -0.01331423 0.01621223
25.95780937 -11.59949741 -11.27315467
-0.00140012 -0.00087147 0.00079472
0.01791028 -0.00342680 -0.02477779
15.90107935 -2.82033836 0.56659904
-0.00031876 0.00015574 0.00049258
-0.00798792 0.00224674 -0.00278565
16.83268233 -5.22123787 -0.72355455
-0.00017877 -0.00037479 0.00004559
0.00672815 0.00977408 -0.00405199
12.29926977 8.10718481 11.49738691
0.00127418 -0.00024529 0.00013964
-0.01813150 0.00418100 0.02604287
13.83270511 9.36798106 9.40203431
0.00152335 -0.00071330 -0.00037032
-0.00200525 -0.01157960 0.01198643
0.09320541 -14.64345578 17.22183861
0.00069301 0.00043243 -0.00026776
0.00683596 0.01263407 0.00834950
1.99312650 -12.76167441 18.85003096
0.00045117 0.00029076 0.00045505
-0.01380525 -0.00240735 -0.00893937
-3.62604777 -1.59157181 -12.45967786
0.00054790 0.00085422 0.00041835
-0.00195760 0.01117702 -0.02471723
-2.60032573 -1.79246319 -15.07518448
0.00122495 -0.00030406 0.00005055
0.01823960 -0.01807140 -0.02758008
14.62404057 -7.99215355 -10.57986061
-0.00094969 -0.00034913 -0.00039019
-0.00819837 -0.01191152 -0.01156414
16.33742677 -6.35979540 -9.07148021
-0.00054655 -0.00103525 0.00003006
0.01594693 0.01486304 0.00498372
7.08828430 -5.51502251 8.77271484
0.00018728 0.00093444 0.00064016
0.01860052 -0.01254457 -0.00678070
9.93747390 -6.54801710 7.96772063
-0.00008726 0.00026916 0.00017899
-0.03372679 0.00616029 0.01043604
-20.91107813 2.13766325 21.07486252
0.00056067 0.00009113 0.00094577
-0.00482938 0.00210139 0.00814510
-22.34794624 1.19232692 23.50369869
-0.00014894 -0.00087166 -0.00100559
0.00773260 0.01057230 -0.00345801
27.04135495 -2.79886304 -6.93100682
0.00046587 0.00003025 -0.00049108
-0.00460650 -0.00777426 -0.00351008
25.64491112 -1.35522094 -8.98692178
0.00042624 -0.00026619 0.00003156
-0.00753152 -0.00176900 0.00070911
9.97102986 -15.60010183 -7.76054507
-0.00029654 0.00092174 0.00002560
-0.00058041 0.01813255 -0.01099044
9.12632742 -12.79575576 -7.41263984
-0.00077767 0.00001654 -0.00095555
-0.00013332 0.00170999 -0.00475475
-5.71621661 -11.29891873 18.36139313
0.00021013 0.00008605 0.00026120
-0.01824872 -0.01073824 -0.02765822
-6.73066436 -11.09803484 15.53741852
0.00004797 0.00027602 -0.00004814
0.00054244 0.00381785 0.00040153
8.93150517 1.63331614 -29.51976660
-0.00003768 0.00064131 -0.00022683
-0.03052249 0.00854375 -0.00516853
5.94280699 2.14895697 -30.27937926
0.00044202 -0.00122877 -0.00012828
0.00000844 -0.00893086 -0.00425983
12.75813524 15.27454394 14.64871953
-0.00086692 0.00117347 0.00014784
-0.03719725 0.00880729 0.00555328
11.57805419 16.29779958 17.18771127
0.00012437 0.00056088 0.00081457
-0.02276288 -0.00826741 -0.02698927
28.99883537 5.28990762 -4.96128797
0.00007477 0.00033049 0.00015204
0.01130331 -0.00234518 0.01243356
27.17568679 7.03145851 -3.84454803
0.00025314 0.00040280 0.00023575
-0.01795283 0.00988344 0.00476841
-9.95053805 5.11100457 6.41244429
0.00002195 0.00029472 -0.00016306
0.00187595 0.00005964 0.00548567
-8.88387384 13.37682270 2.61815755
-0.00013521 0.00001055 0.00005356
0.00072980 -0.00210269 0.00241708
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09478740
0.31733543
422.83354448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3435257736 (a.u.)
total exchange computation time: 2.5810248852 s
-153.9712568604
-931.40909719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3435832213 (a.u.)
total exchange computation time: 2.5796768665 s
-153.9719876610
Anderson extrapolation: theta=1.3480785055 (1.3480785055)
-931.40932599
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3435989282 (a.u.)
total exchange computation time: 2.5802838802 s
-153.9735301900
Anderson extrapolation: theta=0.0515911339 (0.0515911339)
-931.40946324
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3435479621 (a.u.)
total exchange computation time: 2.5811781883 s
-153.9740999877
Anderson extrapolation: theta=1.9356400522 (1.9356400522)
-931.40946841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3434332764 (a.u.)
total exchange computation time: 2.5807139874 s
-153.9752881181
Anderson extrapolation: theta=0.2227387767 (0.2227387767)
-931.40947382
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.3434051370 (a.u.)
total exchange computation time: 2.5805039406 s
-153.9755245465
Anderson extrapolation: theta=1.9156250181 (1.9156250181)
-931.40947484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3433685098 (a.u.)
total exchange computation time: 2.5782859325 s
-153.9757880666
Anderson extrapolation: theta=0.2891308412 (0.2891308412)
-931.40947610
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3433748427 (a.u.)
total exchange computation time: 2.5804510117 s
-153.9756887695
Anderson extrapolation: theta=1.3193582959 (1.3193582959)
-931.40947639
-163.031945 68.985694 97.501852
560.917357 1031.643081 -409.175087
397.885412 1100.628774 -311.673235
1211.130342
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3433947935 (a.u.)
total exchange computation time: 2.5830750465 s
678.46827813
-1082.77488188
89.82637191
-389.81798289
-174.76786706
77.70898260
551.60419304
0.00000000
-931.40947658
4.06005000 -31.56318357 -2.25093699
-0.00001636 -0.00044505 -0.00013728
-0.01062980 0.00132104 -0.00694107
-11.69487792 -1.40559755 -9.42806915
-0.00030848 0.00021933 -0.00015955
-0.01221382 -0.00720369 -0.02286010
-37.53194217 2.45952369 0.21720779
0.00001443 0.00018608 -0.00007584
0.01250556 0.04162939 -0.03967907
-11.79439305 -4.19314352 4.11915128
-0.00014501 0.00012610 0.00026565
0.02213155 -0.00304879 -0.00342991
3.94281818 -4.17114788 8.64791158
-0.00023882 -0.00024790 -0.00045620
0.00250196 0.03584308 0.00004809
-32.94886560 -0.25704521 0.19437661
-0.00053308 0.00005484 0.00043132
0.00800892 0.02653287 -0.00931358
14.25321424 12.52105340 -13.53013740
-0.00006428 0.00020041 -0.00016289
0.07640410 -0.01660256 0.00837177
-7.74732848 6.11429119 2.76583026
0.00005245 0.00009094 0.00015467
0.01565797 -0.02746547 -0.04128084
7.23440256 12.09915551 -6.26980202
-0.00004487 -0.00029551 -0.00030357
0.00437793 0.00397543 -0.00457202
8.85091259 9.82425209 -19.17097421
0.00010904 -0.00037804 -0.00017126
0.02186737 -0.01936616 -0.00279262
23.19466202 17.35067823 -2.48030385
0.00014030 -0.00004077 -0.00033007
0.01653805 0.00925157 -0.00888260
2.02737454 16.94059008 -19.62772407
-0.00019077 0.00021168 -0.00001650
0.01343883 -0.03423405 -0.03061365
14.03022618 -0.93177936 -5.78137127
-0.00000573 -0.00022678 0.00016383
-0.01588967 -0.01945789 0.02454408
-16.14938606 -1.46181939 3.20014452
-0.00011821 -0.00010606 0.00000246
-0.03461389 -0.00967464 0.01225891
-16.00652065 -2.36111081 18.73685606
0.00024495 -0.00022454 -0.00015221
0.01154963 -0.00788739 0.00898986
0.42915399 2.14604222 -4.61282119
-0.00005315 0.00011178 0.00010576
0.01298771 0.02794576 -0.00735826
22.74393436 -7.10970497 -8.81222222
0.00008798 -0.00001408 0.00001380
0.02414242 -0.00312070 0.00331630
-0.78539958 -6.43983766 7.29952728
-0.00010507 -0.00019078 -0.00004158
0.01375288 0.00928801 -0.00860016
-1.80353531 -1.42088756 -19.33481530
-0.00005392 -0.00007723 -0.00000547
-0.03195144 -0.00819885 -0.02475946
3.06406141 1.60202326 -9.19563070
-0.00034326 0.00002303 0.00022945
-0.00860505 0.02452594 -0.00981611
-3.49500976 17.72642213 12.37551052
0.00030108 0.00012487 0.00023292
-0.02907486 0.04628578 0.01809892
-3.93043530 5.22842860 -11.31524885
-0.00016300 0.00035588 -0.00010489
0.02421936 0.03976980 0.04483701
-7.85800639 2.71810917 -8.88253357
0.00013249 0.00000657 -0.00007721
-0.05501900 -0.02398858 0.01031310
2.53611048 27.55110845 9.07322718
0.00016804 0.00000090 0.00036580
0.01180910 -0.01594236 -0.02808879
9.33642872 -6.27415624 -1.69665566
-0.00027788 -0.00001104 0.00014639
-0.00974121 0.02951926 -0.01822027
-8.64535015 0.69483595 6.24377537
0.00013787 -0.00011345 0.00014379
-0.03088960 -0.00114800 0.01348129
20.54587534 10.98909552 8.67221997
0.00004673 0.00021835 -0.00014358
-0.00692038 -0.02615599 0.01622042
-1.95448605 -2.22445811 -27.63684277
-0.00007881 0.00005735 -0.00007856
-0.00725306 -0.00819317 0.01048997
-14.07745057 6.15201550 8.12981140
0.00035355 -0.00003898 0.00020953
0.00687815 0.00626368 0.00630908
-9.76398328 7.21860651 -1.90949968
-0.00028267 -0.00007012 0.00048792
-0.00973573 -0.01517827 0.01973207
-1.80857429 -15.02345971 22.94379102
-0.00003676 0.00024248 -0.00063172
0.07844135 0.02188618 -0.04415736
-2.78486103 6.23084129 -6.04263565
-0.00010298 -0.00022600 0.00013808
-0.00862935 -0.00624262 0.00231636
-20.53197619 29.99962539 4.24699641
-0.00042040 -0.00055665 0.00008720
0.04119312 -0.00575354 0.00089803
7.81747719 0.74502922 7.45204281
0.00028533 0.00041738 -0.00003591
0.02434776 0.00533774 0.04291599
5.83752679 11.03734990 -13.41767114
0.00023723 -0.00045517 -0.00002657
-0.00914964 0.03556155 -0.05209752
15.65155586 2.89497904 -1.55496139
0.00009911 0.00023266 0.00040040
-0.02029490 -0.02314265 0.01952938
-4.44714105 12.93368182 -0.76953667
0.00007927 -0.00039038 -0.00001871
0.00506504 0.00121706 -0.01437409
4.77875235 12.60970025 2.43773333
0.00011453 0.00018739 -0.00019086
0.01445517 0.01857210 0.01336032
25.00307785 -11.41141885 -9.75655231
-0.00019580 0.00021834 0.00030889
-0.02135093 0.01427732 0.02444214
16.99070351 -3.36278954 -0.79297644
0.00043950 0.00040798 -0.00012928
-0.00467738 -0.01854464 0.01431230
13.56611837 7.73122088 10.28568721
0.00031276 -0.00029615 -0.00003079
0.03339483 0.00153694 -0.04838314
1.83428258 -14.01161349 17.50754270
0.00026018 0.00002432 -0.00011268
0.01076724 0.00091041 0.00185619
-3.62443894 -0.70370262 -14.13811453
0.00006590 -0.00002070 0.00028689
-0.01733606 0.00137981 0.04967947
15.01708995 -7.61845347 -8.84696068
0.00028525 -0.00016661 -0.00002728
-0.00861381 -0.01854359 0.00263965
8.39863411 -6.85765461 9.00315558
0.00012363 0.00033730 0.00012523
0.01059767 0.01137647 -0.00350816
-21.10191253 2.46335633 22.89720963
0.00007094 0.00032113 0.00000453
-0.00992373 -0.00812472 -0.00049534
25.76530080 -3.05257523 -8.25415438
0.00018877 0.00017143 -0.00004234
0.01665247 -0.00406681 0.00916294
9.94563145 -13.94317115 -8.62251721
0.00004796 -0.00018071 -0.00031245
-0.00767775 -0.01736875 0.01473244
-6.66147355 -12.22446517 16.97064079
0.00013468 0.00032490 0.00005316
0.01570269 0.00971953 0.03424299
7.40092997 2.71182719 -29.33342081
-0.00032555 -0.00045479 -0.00000368
0.03765080 0.00685839 0.01480463
10.95687322 15.82865678 15.45551893
-0.00017097 0.00027085 0.00005113
0.04424964 0.00065304 0.02694077
28.85095907 6.43409891 -3.47988267
0.00014093 0.00019629 -0.00007384
0.01092098 -0.01483139 -0.01027146
5.15445711 -32.20022152 -3.58293624
-0.00057050 -0.00016370 -0.00035614
0.00493089 0.00160999 -0.00287783
4.78664289 -31.81106260 -0.56327891
-0.00049228 -0.00056129 -0.00062426
0.00175668 0.00279761 -0.00797009
-12.36760466 -3.13558469 -9.61620038
-0.00082355 -0.00016808 -0.00098344
0.00607494 0.01650040 0.00333524
-12.02682066 -0.50941840 -11.03377110
0.00029341 0.00005048 -0.00047613
0.00112087 -0.01376858 0.01737045
-38.93099436 2.45708199 1.34587916
0.00008967 0.00017827 -0.00024574
-0.01321012 -0.00353597 0.00555216
-37.80317038 3.98647651 -0.95569599
0.00024913 0.00054169 -0.00050946
0.00345084 -0.02926576 0.02121094
-10.82078610 -5.53241342 3.18508401
0.00020245 -0.00080091 -0.00014562
-0.01023494 0.01621821 0.01790391
-10.54046441 -2.86327102 4.50456097
0.00002647 0.00013766 0.00092009
-0.01298452 -0.01013025 -0.00696994
4.05538201 -2.28378507 8.44423828
-0.00023089 0.00025341 -0.00008368
-0.00005568 -0.03403067 -0.00145104
3.64035502 -4.29368358 10.45575087
0.00011529 -0.00048755 0.00010670
0.00053808 -0.00150419 0.00759653
-34.61885362 -0.91979812 0.30271782
-0.00088156 0.00034504 0.00054481
-0.01128253 -0.01054985 0.00535789
-33.41604119 1.54128474 0.09643507
-0.00105122 0.00095326 -0.00090116
0.00358158 -0.01469071 0.00395231
13.22716984 13.14379890 -14.80859897
0.00011917 0.00001378 0.00128391
-0.01996216 0.01366980 -0.03816222
16.04308013 12.36812930 -14.32808299
-0.00073276 -0.00049486 -0.00008435
-0.04908087 0.00566996 0.02221567
-7.90040914 7.59589481 1.67657260
0.00069013 -0.00053228 -0.00035477
-0.00400411 -0.00723979 0.00522942
-7.35478974 4.72348931 1.39179569
-0.00005119 -0.00005352 0.00030956
-0.00638380 0.03288633 0.03833106
6.23688642 12.32411234 -7.81015550
-0.00035759 -0.00023823 -0.00064449
0.00451728 0.00101986 0.01063394
8.54403125 13.45489539 -6.22019098
-0.00015914 0.00069696 0.00008017
-0.00253236 -0.00163009 -0.01058104
8.93564301 8.15619730 -19.98670184
0.00010171 -0.00045575 0.00035113
-0.00150474 0.01807310 0.00924353
10.63998399 10.45584122 -19.04110851
0.00023315 0.00047113 0.00055761
-0.02438765 -0.00167309 -0.00639063
24.28521280 15.91717242 -2.82799911
-0.00003434 0.00047992 -0.00003283
0.00035727 -0.01611254 -0.00091011
24.33422091 18.71521833 -3.02607133
0.00108048 -0.00045921 0.00037572
-0.00303449 -0.00413113 0.01068386
1.55387337 16.78129419 -21.50732065
0.00036775 -0.00021255 0.00081857
0.00717539 0.01145219 0.03387523
3.32923634 15.51404356 -19.45826441
-0.00058531 -0.00005298 -0.00007406
-0.02392337 0.02980472 0.00136281
13.31820255 -1.95493550 -7.11666843
0.00111432 -0.00036115 -0.00047976
-0.00220915 -0.00473105 -0.00572132
12.66031871 -1.05075021 -4.52085206
-0.00039139 0.00033146 -0.00031850
0.01732501 0.00602766 -0.00776085
-17.93340921 -2.06188005 3.42461669
-0.00054087 -0.00115208 0.00069554
0.03008770 0.00362000 -0.01001740
-15.15467609 -2.99364143 3.12918816
-0.00032551 -0.00056419 0.00112811
0.00558898 -0.00206011 0.00318645
-15.81717369 -0.61941706 19.22775839
0.00162900 0.00049156 -0.00066597
-0.00263005 0.00699915 0.00254670
-14.69479261 -3.25260091 19.73831726
0.00074876 -0.00078355 -0.00020892
-0.01524915 0.00063632 -0.01401568
-0.23874311 0.51498745 -5.06493298
-0.00066351 0.00054504 -0.00004665
-0.01732095 -0.01094056 -0.00215880
-0.75396642 3.51489567 -5.11411136
0.00054867 -0.00016518 0.00021153
0.00040103 -0.01512735 0.00689976
23.92963680 -8.53824866 -9.19351746
-0.00009016 -0.00053588 0.00015657
-0.01859297 0.01029555 0.00862778
23.79203631 -5.72806370 -8.11822708
-0.00079942 0.00055387 0.00012553
-0.00693502 -0.00914893 -0.00996119
-0.56869619 -6.11210461 5.50164516
-0.00007990 0.00047541 0.00032134
-0.00049161 -0.00084008 0.00222646
0.89774170 -5.94068192 7.93727564
-0.00013723 0.00116359 -0.00117117
-0.01430209 -0.00190436 -0.00213718
-0.29739828 -2.36204833 -19.53091482
-0.00058299 -0.00003051 0.00020486
0.02259046 -0.01365242 0.00494329
-2.90284912 -2.34438225 -20.60470385
0.00103489 -0.00041803 -0.00035116
0.01360429 0.01871524 0.01690224
2.87543002 3.03921133 -10.36438118
-0.00008855 -0.00041616 -0.00110949
-0.00150610 -0.00839441 -0.00387269
1.93771115 1.98386390 -7.76919662
0.00100152 0.00050835 -0.00014251
0.00385723 -0.00096575 0.00520598
-2.13833295 16.59484670 12.39316314
0.00041109 -0.00052328 -0.00032342
0.03570312 -0.03306700 -0.00770445
-3.02468509 18.74544056 13.90732109
0.00082766 0.00063947 -0.00071325
-0.01102341 -0.00551610 -0.01166400
-5.48632810 6.11662793 -11.53613620
0.00067014 -0.00099263 -0.00173018
-0.01999048 0.00376126 -0.00661385
-3.79691818 3.83863374 -12.33827272
0.00035738 0.00056036 -0.00025313
-0.00003872 -0.04218922 -0.03596436
-8.04094394 1.15507303 -7.80150177
-0.00082512 0.00006399 -0.00004147
0.00122219 0.03074386 -0.00859845
-6.14196915 2.91103298 -9.04786144
-0.00043663 -0.00020052 0.00070513
0.04967339 0.01122621 -0.00705035
2.82844943 27.24593940 7.22363150
-0.00090141 -0.00045453 0.00080020
-0.00783490 0.00739653 0.03100425
1.43507196 28.97840956 9.06052621
0.00011244 0.00026903 -0.00008202
-0.01037210 0.00642849 0.00296132
10.42301145 -6.84302998 -0.42345561
-0.00040720 0.00052516 0.00039591
0.01953157 -0.01613260 0.02472126
8.22741676 -7.61252227 -2.13194764
-0.00025842 -0.00019544 0.00092520
-0.00920366 -0.01164380 -0.00123734
-7.30968541 -0.06191386 7.23509582
-0.00090485 0.00000067 0.00068813
0.01168249 0.00052904 0.00075812
-10.20742641 0.51007020 7.27003044
-0.00030771 -0.00063780 0.00070479
0.01822874 -0.00192223 -0.01457528
20.84821842 11.27107651 10.47260393
-0.00049349 0.00026324 -0.00024413
0.00007440 -0.00308259 -0.01313551
20.53716294 12.63928853 7.94974232
0.00102891 -0.00040930 -0.00021193
0.00881393 0.02461661 -0.00472404
-1.02984767 -3.73834185 -26.92797877
-0.00035762 -0.00178368 -0.00069634
-0.01781390 0.02162549 0.00076405
-3.35105841 -1.77849966 -26.46736726
0.00044957 0.00001239 -0.00055550
0.01430602 -0.01367113 -0.01109667
-13.52405897 6.75215303 9.79144398
-0.00050976 -0.00043003 0.00070581
-0.00653684 -0.00390673 -0.00799161
-15.09691685 7.56357664 7.53044160
0.00079549 0.00038155 0.00115258
0.00345598 -0.00305139 0.00451327
-11.58658754 7.43396512 -1.85225045
-0.00013627 -0.00094012 -0.00009051
0.00773269 0.00171106 -0.01346583
-9.02535813 8.07586827 -3.31793747
-0.00066839 0.00044496 0.00013914
0.00021306 0.01590401 -0.01729068
-0.90053202 -16.55383773 22.38597895
-0.00052094 0.00083006 0.00023258
-0.01299288 0.00018627 0.00814697
-3.30424526 -15.41071532 23.64812189
0.00060491 -0.00007390 0.00014801
-0.06915772 -0.02777700 0.03249669
-3.07228636 5.95407278 -7.86873969
-0.00095233 -0.00072141 0.00063521
-0.00592145 0.00373033 0.01098361
-4.41697138 6.61020817 -5.19043958
0.00085235 0.00009820 -0.00000842
0.02096062 -0.00161690 -0.02077637
-21.75965067 29.75882078 2.94442141
0.00050050 -0.00018901 -0.00005875
-0.01996134 -0.00239604 -0.01198125
-21.26564505 31.03383891 5.48568938
-0.00003189 0.00062632 0.00041082
-0.01766971 0.01658552 0.01896387
7.21479376 -0.07001227 5.97083711
0.00022542 0.00119516 0.00028544
-0.01745280 -0.00163878 -0.02776347
7.03027993 2.33234173 7.90162153
-0.00055426 -0.00013133 -0.00091125
-0.00005773 -0.00042675 -0.01180883
6.93170622 12.46434924 -12.86151026
0.00003522 -0.00120351 -0.00003107
0.00216770 -0.00720034 -0.00298700
5.15634580 11.92625212 -15.00606270
-0.00000147 -0.00015090 -0.00064713
0.01294003 -0.02860542 0.03843453
14.25912106 4.02675168 -1.96069025
-0.00005306 0.00057643 0.00008491
0.00025162 0.00157710 -0.00796600
14.76837684 1.27242910 -1.11482005
0.00014919 0.00016733 0.00063253
0.01692267 0.02611257 -0.01068629
-3.00954571 11.94691271 -0.21047825
-0.00020309 -0.00086627 -0.00022715
-0.01019289 0.00208937 0.00400317
-5.85358816 12.87607333 0.43887150
-0.00091648 -0.00026415 -0.00047778
0.00719071 -0.00663937 0.00348820
3.32356832 11.60370866 2.31900608
-0.00032362 -0.00086890 -0.00024900
-0.02511633 -0.02390035 0.00668203
6.14738755 11.49204860 2.96584147
-0.00038190 0.00079489 -0.00071183
0.01133613 -0.00416055 -0.00080919
25.27233491 -12.85299836 -8.73777368
0.00022915 -0.00043666 -0.00085704
-0.00207644 -0.01408412 0.01792243
25.93735633 -11.61267443 -11.26199319
-0.00132051 -0.00088450 0.00068034
0.02106137 -0.00295511 -0.03120995
15.89605316 -2.81793335 0.57390235
-0.00034315 0.00016173 0.00047170
-0.00395246 0.00068401 -0.00743210
16.83020694 -5.22656020 -0.72299493
-0.00014976 -0.00032403 0.00002817
0.00747531 0.01507527 -0.00447548
12.31782691 8.10363353 11.50027959
0.00119429 -0.00022522 0.00025068
-0.02097720 0.00564749 0.02831112
13.85549385 9.35692673 9.39684683
0.00151269 -0.00076035 -0.00031982
-0.00320879 -0.01144971 0.01273252
0.10381009 -14.63658217 17.21807802
0.00071453 0.00048143 -0.00023427
0.00369453 0.01135373 0.00804562
1.99947108 -12.75738683 18.85658277
0.00039374 0.00027518 0.00041200
-0.01430716 -0.00521995 -0.01213531
-3.61788919 -1.57841601 -12.45416006
0.00053982 0.00089703 0.00032012
-0.00199867 0.00977668 -0.02336439
-2.58139256 -1.79757792 -15.07527139
0.00128744 -0.00036582 -0.00005044
0.01234900 -0.01215738 -0.02185393
14.60954397 -7.99775554 -10.58606787
-0.00097933 -0.00039495 -0.00042718
-0.00630818 -0.01051720 -0.00654220
16.32971725 -6.37486869 -9.07087663
-0.00047037 -0.00096430 0.00004797
0.02134296 0.01986560 0.00378586
7.09166355 -5.50139029 8.78210950
0.00026546 0.00087990 0.00061221
0.01966502 -0.01415482 -0.00690257
9.93513149 -6.54379096 7.97072520
-0.00022207 0.00029524 0.00021956
-0.03226426 0.00660511 0.00942550
-20.90281601 2.13909455 21.08929866
0.00054320 0.00009900 0.00096716
-0.00372446 0.00175263 0.00232776
-22.34994332 1.17957602 23.48850895
-0.00011242 -0.00082237 -0.00101974
0.01014098 0.01355410 -0.00347202
27.04820188 -2.79864752 -6.93848051
0.00044826 -0.00000151 -0.00050336
-0.00401403 -0.00777018 -0.00250384
25.65107387 -1.35926793 -8.98642666
0.00039431 -0.00026770 0.00003226
-0.00809739 0.00102540 -0.00036668
9.96656404 -15.58572009 -7.76049782
-0.00029810 0.00098468 -0.00001456
-0.00018767 0.01267887 -0.00867152
9.11465828 -12.79545533 -7.42711887
-0.00077735 0.00002390 -0.00097546
0.00029151 0.00189363 -0.00498711
-5.71362385 -11.29795701 18.36446360
0.00013553 0.00004274 0.00014760
-0.01827001 -0.01046064 -0.02794818
-6.72992823 -11.09377762 15.53670872
0.00005049 0.00029161 -0.00004546
0.00069168 0.00381631 0.00091238
8.93000462 1.64319760 -29.52332743
-0.00015785 0.00067289 -0.00024812
-0.02830021 0.00691341 -0.00525405
5.94943760 2.13025169 -30.28143401
0.00043843 -0.00126534 -0.00014769
-0.00176950 -0.00897014 -0.00523947
12.74399154 15.29241584 14.65110728
-0.00101517 0.00120686 0.00016975
-0.03537054 0.00753992 0.00517162
11.57922224 16.30595937 17.19910277
0.00002847 0.00052451 0.00069565
-0.02418386 -0.00953402 -0.03122371
29.00030332 5.29479305 -4.95862634
0.00012044 0.00031908 0.00020004
0.01105332 -0.00323621 0.01106153
27.17893376 7.03780340 -3.84086563
0.00017901 0.00044301 0.00025462
-0.01833508 0.00979880 0.00446953
-9.95020378 5.11542559 6.41001319
0.00002259 0.00029471 -0.00016108
0.00173318 -0.00012393 0.00556965
-8.88590070 13.37697721 2.61896523
-0.00013504 0.00001007 0.00005410
0.00075214 -0.00196810 0.00221804
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09463372
0.31484286
419.51232197
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3479438393 (a.u.)
total exchange computation time: 2.6651029587 s
-153.9850573046
-931.40705529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3479295311 (a.u.)
total exchange computation time: 2.6653399467 s
-153.9863569692
Anderson extrapolation: theta=1.3553616742 (1.3553616742)
-931.40729739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3478476802 (a.u.)
total exchange computation time: 2.6672649384 s
-153.9886514150
Anderson extrapolation: theta=0.0552264239 (0.0552264239)
-931.40744534
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.3477903297 (a.u.)
total exchange computation time: 2.6644558907 s
-153.9892554298
Anderson extrapolation: theta=2.0391766585 (2.0000000000)
-931.40745184
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3476590415 (a.u.)
total exchange computation time: 2.6648271084 s
-153.9905368020
Anderson extrapolation: theta=0.2575565153 (0.2575565153)
-931.40745958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3476236339 (a.u.)
total exchange computation time: 2.6635208130 s
-153.9908152795
Anderson extrapolation: theta=1.7437535270 (1.7437535270)
-931.40746134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3475805126 (a.u.)
total exchange computation time: 2.6645958424 s
-153.9910897225
Anderson extrapolation: theta=0.3156774850 (0.3156774850)
-931.40746352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3475854754 (a.u.)
total exchange computation time: 2.6657459736 s
-153.9909801302
Anderson extrapolation: theta=1.2076265222 (1.2076265222)
-931.40746411
-163.070524 68.980852 97.534936
560.931621 1031.630482 -409.166073
397.861097 1100.611334 -311.631137
1211.095672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1335424554
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3476045196 (a.u.)
total exchange computation time: 2.6641321182 s
678.52402432
-1082.92290041
89.83363290
-389.71641861
-174.77819826
77.78879817
551.60419304
0.00000000
-931.40746458
4.05976357 -31.56985427 -2.25302298
-0.00002261 -0.00044406 -0.00014145
-0.01365088 0.00253213 -0.00925206
-11.69955227 -1.40233542 -9.43055057
-0.00031516 0.00021467 -0.00017162
-0.01375499 -0.01092726 -0.02406774
-37.53167750 2.46247552 0.21591717
0.00002112 0.00020787 -0.00009675
0.01350098 0.04307215 -0.04166094
-11.79648289 -4.19126383 4.12312274
-0.00013285 0.00012378 0.00026340
0.02516442 -0.00595972 -0.00530784
3.93924555 -4.17472819 8.64106882
-0.00023764 -0.00022894 -0.00045525
0.00209678 0.03790270 0.00363057
-32.95683085 -0.25612032 0.20081042
-0.00052987 0.00006996 0.00042634
0.00447726 0.03228334 -0.01003704
14.25254475 12.52399551 -13.53254840
-0.00002399 0.00019073 -0.00015614
0.08027000 -0.02102235 0.01784345
-7.74648127 6.11554942 2.76799109
0.00006058 0.00007651 0.00013369
0.01594503 -0.02866255 -0.04031398
7.23374645 12.09473818 -6.27437315
-0.00004243 -0.00029266 -0.00030652
0.00508622 0.00709597 -0.00689633
8.85263258 9.81850676 -19.17355393
0.00012058 -0.00038730 -0.00017237
0.02298605 -0.01662766 -0.00151818
23.19683031 17.35010240 -2.48528915
0.00014848 -0.00003525 -0.00033451
0.01528776 0.01221166 -0.00837924
2.02456476 16.94363330 -19.62808967
-0.00018362 0.00019409 -0.00003123
0.01438854 -0.03417027 -0.02665324
14.03007887 -0.93525610 -5.77881913
-0.00001374 -0.00023670 0.00017600
-0.01524492 -0.01912386 0.02277425
-16.15129274 -1.46344765 3.20022873
-0.00013688 -0.00011198 0.00000893
-0.03799905 -0.01333106 0.01288642
-16.00280178 -2.36450926 18.73460758
0.00025164 -0.00022769 -0.00014684
0.01445572 -0.00439541 0.01190435
0.42840678 2.14782666 -4.61126313
-0.00004594 0.00012554 0.00010225
0.01507813 0.02558437 -0.00629844
22.74534721 -7.10992819 -8.81200247
0.00010024 -0.00001598 0.00001539
0.02352060 -0.00427734 0.00287530
-0.78692264 -6.44266348 7.29887047
-0.00009787 -0.00018584 -0.00004586
0.01427662 0.00989020 -0.00807772
-1.80446734 -1.42207761 -19.33499279
-0.00007075 -0.00008094 -0.00001804
-0.03350062 -0.00625297 -0.02413199
3.05887930 1.60246330 -9.19222678
-0.00034658 0.00003573 0.00022242
-0.00430714 0.02485597 -0.01754017
-3.49060574 17.72847371 12.37907420
0.00028713 0.00014759 0.00024162
-0.02515251 0.04205481 0.01569601
-3.93278682 5.23392021 -11.31664918
-0.00014875 0.00037481 -0.00008189
0.03117488 0.03383920 0.04459002
-7.85623129 2.71811512 -8.88365196
0.00010257 -0.00000593 -0.00007185
-0.06132908 -0.02461183 0.01054217
2.53867668 27.55106046 9.07860583
0.00017349 -0.00000664 0.00035213
0.00936466 -0.01338606 -0.02508289
9.33222297 -6.27420800 -1.69453006
-0.00028282 0.00000408 0.00013698
-0.00946390 0.02928338 -0.01838795
-8.64340121 0.69312976 6.24598415
0.00012036 -0.00011391 0.00015106
-0.03720969 -0.00062900 0.01479432
20.54654964 10.99226994 8.67012890
0.00004313 0.00020387 -0.00013516
-0.00709082 -0.03017458 0.01652129
-1.95569613 -2.22362939 -27.63798073
-0.00008094 0.00005170 -0.00007353
-0.00102621 -0.01378863 0.00908332
-14.07212080 6.15145489 8.13297873
0.00035724 -0.00003588 0.00021314
0.00747244 0.00580761 0.00770613
-9.76826083 7.21749621 -1.90210474
-0.00028681 -0.00007752 0.00049723
-0.00639802 -0.01359508 0.01648255
-1.80882309 -15.01973807 22.93414486
0.00000256 0.00025493 -0.00065405
0.07446341 0.02652282 -0.04265061
-2.78643897 6.22742719 -6.04055557
-0.00010627 -0.00022936 0.00013896
-0.00419020 -0.00680910 0.00112019
-20.53812335 29.99125340 4.24830783
-0.00039915 -0.00055845 0.00008981
0.04145484 -0.00122172 0.00927935
7.82185107 0.75131053 7.45166970
0.00029817 0.00042018 -0.00001334
0.02557016 0.00553165 0.04485094
5.84104988 11.03065949 -13.41827070
0.00023164 -0.00043735 -0.00005427
-0.01257377 0.03373660 -0.05562127
15.65296428 2.89837962 -1.54888007
0.00008819 0.00022119 0.00041028
-0.02218507 -0.02144033 0.01891110
-4.44593250 12.92783086 -0.76987277
0.00008121 -0.00038961 -0.00002579
0.00247673 0.00175752 -0.01316045
4.78052606 12.61258269 2.43492202
0.00011878 0.00019647 -0.00018457
0.00205167 0.01676083 0.01108848
25.00005852 -11.40808862 -9.75182472
-0.00020718 0.00022554 0.00032246
-0.02290298 0.01372387 0.02832924
16.99727800 -3.35674145 -0.79486036
0.00043598 0.00039758 -0.00012067
-0.00900814 -0.02187869 0.01915205
13.57093852 7.72678451 10.28503869
0.00033053 -0.00029575 -0.00005624
0.03572723 0.00001502 -0.05057464
1.83822685 -14.01124517 17.50585971
0.00026669 0.00002577 -0.00011087
0.01452082 0.00472464 0.00518868
-3.62351730 -0.70400774 -14.13361952
0.00005862 -0.00002114 0.00031038
-0.01098551 -0.00309879 0.04165676
15.02133549 -7.62102418 -8.84735976
0.00027892 -0.00017773 -0.00002692
-0.01601120 -0.02469870 -0.00124198
8.40052941 -6.85255122 9.00502046
0.00012836 0.00034329 0.00012377
0.00779310 0.01192419 -0.00214992
-21.10088675 2.46814190 22.89727572
0.00006503 0.00031627 0.00000594
-0.01304406 -0.01075871 0.00595450
25.76819655 -3.05001949 -8.25475420
0.00019721 0.00016856 -0.00003766
0.01619342 -0.00710407 0.00904253
9.94632120 -13.94594878 -8.62714720
0.00004384 -0.00018808 -0.00030547
-0.00832775 -0.01130311 0.01241890
-6.65939272 -12.21955416 16.97157032
0.00014258 0.00032975 0.00007055
0.01500147 0.00911888 0.03337387
7.39619193 2.70503172 -29.33341885
-0.00030654 -0.00045072 0.00000421
0.03628310 0.00897013 0.01586532
10.95447936 15.83272212 15.45638977
-0.00014856 0.00027170 0.00006603
0.04290531 0.00263017 0.03102019
28.85311520 6.43698599 -3.48102991
0.00014654 0.00018893 -0.00007871
0.01089684 -0.01378136 -0.00865849
5.14605075 -32.20262768 -3.58836657
-0.00054742 -0.00015863 -0.00037007
0.00636333 0.00087298 -0.00393757
4.77931247 -31.81939620 -0.57288699
-0.00048115 -0.00055113 -0.00065016
0.00369387 0.00217448 -0.00471191
-12.37977169 -3.13760033 -9.63084973
-0.00079535 -0.00009350 -0.00096802
0.00772492 0.02001098 0.00421262
-12.02238514 -0.50908318 -11.04038075
0.00029796 -0.00000509 -0.00040449
0.00110564 -0.01342952 0.01769843
-38.93005418 2.45964770 1.34236325
0.00003366 0.00016404 -0.00022182
-0.01420650 -0.00342800 0.00615292
-37.79932768 3.99370503 -0.96268799
0.00026301 0.00041906 -0.00041999
0.00334276 -0.03075998 0.02258771
-10.81806302 -5.54393005 3.18344841
0.00015619 -0.00072654 -0.00006687
-0.01240845 0.02018483 0.02064124
-10.54046519 -2.86151655 4.51814878
-0.00002800 0.00009369 0.00089005
-0.01367960 -0.01139465 -0.00773660
4.05191694 -2.28102679 8.44293865
-0.00023148 0.00010991 -0.00008919
-0.00023089 -0.03621232 -0.00124555
3.64210079 -4.30104289 10.45758412
0.00011829 -0.00049300 0.00013038
0.00093461 -0.00116471 0.00399516
-34.63242271 -0.91494576 0.31105409
-0.00092396 0.00030348 0.00056692
-0.00947370 -0.00979348 0.00546608
-33.43169981 1.55513341 0.08303882
-0.00103304 0.00087981 -0.00088369
0.00532019 -0.02126083 0.00459728
13.22834575 13.14442452 -14.79050968
0.00002382 0.00007793 0.00111170
-0.02671241 0.01772898 -0.04613548
16.03058481 12.36088013 -14.32866750
-0.00092726 -0.00047069 0.00000359
-0.04613083 0.00616192 0.02083411
-7.89017995 7.58768876 1.67141134
0.00067274 -0.00055774 -0.00033482
-0.00450803 -0.00522388 0.00453624
-7.35575325 4.72369426 1.39761361
-0.00007680 0.00007912 0.00046553
-0.00615144 0.03204363 0.03802084
6.23166101 12.32057016 -7.81949694
-0.00033574 -0.00023437 -0.00059588
0.00617928 0.00086762 0.01315981
8.54156657 13.46529982 -6.21931265
-0.00017438 0.00068428 0.00003625
-0.00492801 -0.00457499 -0.01092017
8.93712256 8.14991487 -19.98115167
0.00009714 -0.00038391 0.00038757
-0.00073355 0.01709073 0.00859330
10.64273391 10.46285688 -19.03294016
0.00012960 0.00046083 0.00052997
-0.02630209 -0.00336914 -0.00713859
24.28470871 15.92387747 -2.82851947
-0.00002934 0.00040698 -0.00003772
0.00208606 -0.01959343 -0.00148290
24.35033505 18.70820360 -3.02010821
0.00106631 -0.00047463 0.00041879
-0.00389722 -0.00341766 0.01040217
1.55960944 16.77845691 -21.49400403
0.00039361 -0.00016548 0.00094784
0.00548443 0.01158870 0.02940342
3.31972359 15.51416216 -19.45933350
-0.00068126 0.00006786 -0.00006717
-0.02304635 0.02934952 0.00200832
13.33484959 -1.96049778 -7.12404022
0.00110513 -0.00037939 -0.00049990
-0.00228877 -0.00419587 -0.00413267
12.65497881 -1.04559356 -4.52586734
-0.00032207 0.00035473 -0.00035024
0.01660408 0.00535951 -0.00777785
-17.94060032 -2.07905035 3.43474277
-0.00041074 -0.00113281 0.00065301
0.03361133 0.00581571 -0.01079879
-15.15938744 -3.00216740 3.14620750
-0.00030294 -0.00056884 0.00114094
0.00545743 -0.00021418 0.00309305
-15.79281932 -0.61182923 19.21784694
0.00161675 0.00050915 -0.00065834
-0.00336605 0.00161151 0.00118444
-14.68402856 -3.26433471 19.73475400
0.00068175 -0.00077732 -0.00026926
-0.01754814 0.00241319 -0.01552060
-0.24922656 0.52282779 -5.06569882
-0.00073337 0.00049868 -0.00005557
-0.01687321 -0.01175340 -0.00220756
-0.74572402 3.51195445 -5.11072692
0.00054597 -0.00022098 0.00023800
-0.00172540 -0.01218642 0.00605741
23.92771464 -8.54597137 -9.19090454
-0.00016650 -0.00049001 0.00019293
-0.01877429 0.01215796 0.00917194
23.77983250 -5.72003601 -8.11664939
-0.00082557 0.00051541 0.00008473
-0.00586533 -0.00967973 -0.01000824
-0.56990978 -6.10499916 5.50653353
-0.00008402 0.00047156 0.00032579
-0.00152391 -0.00104843 -0.00004785
0.89524494 -5.92328640 7.91964256
-0.00019416 0.00115512 -0.00117632
-0.01356485 -0.00224272 -0.00038098
-0.30545093 -2.36292435 -19.52769046
-0.00048272 -0.00008939 0.00022551
0.02649537 -0.01517061 0.00516519
-2.88690889 -2.35007926 -20.60945335
0.00108535 -0.00034214 -0.00028421
0.01109780 0.01843301 0.01587390
2.87405567 3.03271162 -10.38114219
-0.00009479 -0.00045445 -0.00111948
-0.00155085 -0.01034708 -0.00101811
1.95285208 1.99145956 -7.77117476
0.00100842 0.00050755 -0.00011171
-0.00047493 0.00057643 0.00987166
-2.13107259 16.58598424 12.38807569
0.00054781 -0.00065038 -0.00035404
0.03122255 -0.02915204 -0.00728071
-3.01260795 18.75486356 13.89626491
0.00078356 0.00061778 -0.00075731
-0.01056620 -0.00509976 -0.00990302
-5.47688852 6.10185380 -11.56229156
0.00057267 -0.00096672 -0.00175782
-0.02772426 0.00892130 -0.00691425
-3.79155873 3.84574637 -12.34317167
0.00035944 0.00038888 -0.00039834
0.00104981 -0.04175107 -0.03511828
-8.05328325 1.15697492 -7.80238736
-0.00081884 0.00018943 -0.00007663
0.00184965 0.03065917 -0.00861210
-6.14699646 2.90836914 -9.03750051
-0.00022202 -0.00015383 0.00067609
0.05538010 0.01162978 -0.00716487
2.81468820 27.23934812 7.23658456
-0.00093090 -0.00042604 0.00091954
-0.00659866 0.00654856 0.02741188
1.43644076 28.98264205 9.05938672
0.00007263 0.00029153 -0.00006883
-0.00911539 0.00458310 0.00349442
10.41750198 -6.83564694 -0.41675944
-0.00032732 0.00045992 0.00049703
0.01957099 -0.01580122 0.02477946
8.22325846 -7.61581074 -2.11810753
-0.00029655 -0.00024341 0.00091997
-0.00945970 -0.01183569 -0.00132209
-7.32290015 -0.06188755 7.24544100
-0.00085022 -0.00000015 0.00069428
0.01506013 -0.00093081 0.00225004
-10.21148352 0.50044436 7.28015572
-0.00022732 -0.00064321 0.00063932
0.02112620 -0.00072646 -0.01747541
20.84081833 11.27493060 10.46853940
-0.00049283 0.00025093 -0.00029488
0.00024934 -0.00294048 -0.01170547
20.55286671 12.63390335 7.94641866
0.00106454 -0.00030128 -0.00023467
0.00862497 0.02826047 -0.00640773
-1.03575780 -3.76443433 -26.93840046
-0.00043470 -0.00168450 -0.00069578
-0.01991923 0.02692040 -0.00048824
-3.34387649 -1.77873267 -26.47603978
0.00050056 -0.00004172 -0.00059451
0.01065618 -0.01281946 -0.00800176
-13.53190570 6.74558292 9.80178619
-0.00053499 -0.00044735 0.00067312
-0.00581267 -0.00457291 -0.00800902
-15.08487865 7.56920642 7.54786854
0.00080690 0.00037160 0.00116788
0.00213261 -0.00182145 0.00297911
-11.58839468 7.41991576 -1.85402080
-0.00010935 -0.00093260 -0.00014442
0.00544559 0.00196932 -0.01291929
-9.03537743 8.08302996 -3.31638019
-0.00066917 0.00050632 0.00007379
-0.00059364 0.01413567 -0.01470137
-0.90874427 -16.54138119 22.38971729
-0.00056718 0.00082100 0.00026111
-0.00964376 -0.00461711 0.00581916
-3.29729089 -15.41267496 23.65133781
0.00032327 -0.00018664 0.00028191
-0.06870257 -0.02741278 0.03305108
-3.08675283 5.94336591 -7.85887503
-0.00097588 -0.00070618 0.00067643
-0.00560173 0.00372637 0.00919478
-4.40354379 6.61163163 -5.19120251
0.00092791 0.00009364 -0.00008722
0.01602467 -0.00061737 -0.01779936
-21.75275491 29.75591227 2.94317307
0.00041296 -0.00019886 -0.00011270
-0.02288944 -0.00242653 -0.01442997
-21.26666485 31.04374193 5.49243278
-0.00009862 0.00068517 0.00047647
-0.01499633 0.01222164 0.01317285
7.21764021 -0.05213515 5.97426797
0.00015248 0.00118260 0.00016491
-0.01825227 -0.00450692 -0.03123909
7.02196424 2.33035865 7.88759095
-0.00055520 -0.00012815 -0.00095629
-0.00039978 0.00198481 -0.01023908
6.93230090 12.44607589 -12.86206788
0.00004787 -0.00122689 -0.00004101
0.00402700 -0.00424352 -0.00187527
5.15672029 11.92311206 -15.01459185
0.00005421 -0.00027017 -0.00048464
0.01431295 -0.02977591 0.04110540
14.25833282 4.03544648 -1.95966073
-0.00004789 0.00057878 0.00005401
0.00228183 -0.00042655 -0.00715846
14.77113333 1.27573914 -1.10565951
0.00021791 0.00027446 0.00058859
0.01671456 0.02632952 -0.01082254
-3.01290442 11.93398270 -0.21376286
-0.00024486 -0.00085823 -0.00020986
-0.01025533 0.00184595 0.00446138
-5.86711496 12.87190767 0.43181164
-0.00088186 -0.00029164 -0.00046663
0.00975196 -0.00681978 0.00196954
3.31794437 11.58994283 2.31547591
-0.00041051 -0.00095567 -0.00022056
-0.01741886 -0.01857712 0.00723756
6.14200650 11.50384453 2.95513920
-0.00032619 0.00077038 -0.00071120
0.01592958 -0.00784186 0.00111855
25.27570860 -12.85997987 -8.75008014
0.00021934 -0.00049432 -0.00078134
-0.00272781 -0.01414233 0.01913435
25.91819405 -11.62603255 -11.25274446
-0.00122943 -0.00089551 0.00054172
0.02352172 -0.00243127 -0.03664628
15.89078475 -2.81548642 0.58075018
-0.00035144 0.00016161 0.00043241
-0.00010259 -0.00074499 -0.01180386
16.82818968 -5.23095862 -0.72270960
-0.00011778 -0.00025295 0.00000910
0.00817762 0.01971506 -0.00485915
12.33509843 8.10042836 11.50490735
0.00110488 -0.00019974 0.00036911
-0.02278983 0.00682459 0.02966040
13.87808594 9.34517069 9.39243968
0.00149736 -0.00080612 -0.00026672
-0.00429913 -0.01095676 0.01325941
0.11464121 -14.62901273 17.21481052
0.00072269 0.00052492 -0.00020227
0.00030338 0.00993453 0.00761766
2.00493882 -12.75341915 18.86239086
0.00033449 0.00024887 0.00035664
-0.01470011 -0.00765481 -0.01496074
-3.60985310 -1.56466103 -12.45007417
0.00053163 0.00093347 0.00022883
-0.00201133 0.00806074 -0.02132461
-2.56170256 -1.80343774 -15.07669764
0.00132492 -0.00040273 -0.00012745
0.00599897 -0.00591234 -0.01584484
14.59466076 -8.00400210 -10.59267608
-0.00100081 -0.00043487 -0.00044337
-0.00421023 -0.00902439 -0.00138126
16.32331576 -6.38872450 -9.07004103
-0.00037267 -0.00087346 0.00006081
0.02648034 0.02460244 0.00249727
7.09624800 -5.48862556 8.79108114
0.00034717 0.00081945 0.00058374
0.02033310 -0.01543275 -0.00703176
9.93081173 -6.53916002 7.97430743
-0.00034934 0.00032327 0.00025508
-0.03003180 0.00711977 0.00796293
-20.89478216 2.14063326 21.10387744
0.00053044 0.00010526 0.00096420
-0.00251864 0.00131138 -0.00377796
-22.35131890 1.16765580 23.47310642
-0.00006659 -0.00076146 -0.00103358
0.01229547 0.01626046 -0.00330034
27.05480281 -2.79890820 -6.94610766
0.00043339 -0.00003313 -0.00051125
-0.00326502 -0.00770793 -0.00135806
25.65674035 -1.36325208 -8.98595402
0.00036015 -0.00025781 0.00002861
-0.00862375 0.00381984 -0.00142137
9.96208671 -15.57056132 -7.76098202
-0.00029812 0.00102399 -0.00004436
0.00017802 0.00656040 -0.00591247
9.10300702 -12.79503884 -7.44190353
-0.00077527 0.00003204 -0.00099628
0.00072454 0.00209097 -0.00520437
-5.71215079 -11.29763638 18.36582123
0.00006168 0.00000130 0.00003410
-0.01788106 -0.00982862 -0.02761260
-6.72914971 -11.08928651 15.53605484
0.00005357 0.00030704 -0.00004056
0.00081822 0.00373635 0.00148639
8.92676966 1.65350275 -29.52721026
-0.00026743 0.00069703 -0.00026984
-0.02533872 0.00490712 -0.00537504
5.95595977 2.11099667 -30.28380986
0.00042814 -0.00130176 -0.00017064
-0.00326762 -0.00885374 -0.00599709
12.72768011 15.31074984 14.65381197
-0.00115473 0.00123481 0.00018961
-0.03294682 0.00613817 0.00455084
11.57890816 16.31353485 17.20858069
-0.00007242 0.00048356 0.00056158
-0.02519823 -0.01051164 -0.03440546
29.00244867 5.29948014 -4.95528679
0.00016495 0.00030387 0.00024207
0.01073100 -0.00421066 0.00951385
27.18105704 7.04474882 -3.83690930
0.00010468 0.00048226 0.00027240
-0.01804953 0.00941271 0.00423021
-9.94986020 5.11984594 6.40761200
0.00002319 0.00029464 -0.00015906
0.00157847 -0.00030289 0.00567162
-8.88792494 13.37712488 2.61978063
-0.00013486 0.00000963 0.00005460
0.00074459 -0.00182736 0.00204952
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09433379
0.31313079
417.23107514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3530946707 (a.u.)
total exchange computation time: 2.6353919506 s
-154.0025838227
-931.40590134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3530220047 (a.u.)
total exchange computation time: 2.6370720863 s
-154.0043815701
Anderson extrapolation: theta=1.3683296431 (1.3683296431)
-931.40615551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.3528629170 (a.u.)
total exchange computation time: 2.6358938217 s
-154.0073277091
Anderson extrapolation: theta=0.0605315519 (0.0605315519)
-931.40631386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3528010930 (a.u.)
total exchange computation time: 2.6356520653 s
-154.0079588106
Anderson extrapolation: theta=2.1545730632 (2.0000000000)
-931.40632178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3526571356 (a.u.)
total exchange computation time: 2.6362469196 s
-154.0093033257
Anderson extrapolation: theta=0.3217678623 (0.3217678623)
-931.40633180
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3526070243 (a.u.)
total exchange computation time: 2.6345860958 s
-154.0096782516
Anderson extrapolation: theta=1.3787167876 (1.3787167876)
-931.40633436
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.3525525478 (a.u.)
total exchange computation time: 2.6351618767 s
-154.0099945511
Anderson extrapolation: theta=0.4037254147 (0.4037254147)
-931.40633693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3525466780 (a.u.)
total exchange computation time: 2.6363708973 s
-154.0099286208
Anderson extrapolation: theta=0.9774976110 (0.9774976110)
-931.40633776
-163.112145 68.976792 97.558149
560.942091 1031.616999 -409.157830
397.829946 1100.593791 -311.599681
1211.061402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.3525529118 (a.u.)
total exchange computation time: 2.6360809803 s
678.59392441
-1083.09845571
89.83844556
-389.59664956
-174.79105005
77.88337205
551.60419304
0.00000000
-931.40633826
4.05937184 -31.57650542 -2.25518035
-0.00003039 -0.00044244 -0.00014688
-0.01661795 0.00375562 -0.01189996
-11.70433274 -1.39915759 -9.43321766
-0.00032255 0.00020817 -0.00018417
-0.01499040 -0.01432079 -0.02473488
-37.53130868 2.46575965 0.21430515
0.00002821 0.00023021 -0.00011844
0.01406916 0.04382550 -0.04266664
-11.79837860 -4.18943012 4.12705324
-0.00011934 0.00012004 0.00026028
0.02739315 -0.00857913 -0.00681680
3.93568909 -4.17801610 8.63425407
-0.00023668 -0.00020916 -0.00045242
0.00162941 0.03899884 0.00735735
-32.96476156 -0.25494638 0.20716680
-0.00052853 0.00008776 0.00042098
0.00069934 0.03693433 -0.01078685
14.25249453 12.52677545 -13.53482174
0.00001765 0.00017903 -0.00014484
0.08165633 -0.02450132 0.02611115
-7.74551104 6.11658653 2.76984090
0.00006883 0.00006159 0.00011338
0.01612118 -0.02934756 -0.03864775
7.23312957 12.09037561 -6.27899748
-0.00003962 -0.00028826 -0.00031056
0.00586431 0.01003605 -0.00882478
8.85452990 9.81263315 -19.17614536
0.00013254 -0.00039507 -0.00017278
0.02354910 -0.01358974 -0.00005552
23.19911655 17.34962078 -2.49033909
0.00015609 -0.00002836 -0.00033860
0.01429531 0.01458765 -0.00754728
2.02186598 16.94641290 -19.62866090
-0.00017604 0.00017672 -0.00004362
0.01507273 -0.03340176 -0.02155034
14.02981394 -0.93888038 -5.77609129
-0.00002133 -0.00024648 0.00018711
-0.01425378 -0.01892313 0.02044628
-16.15349258 -1.46517875 3.20041236
-0.00015702 -0.00011975 0.00001571
-0.04028609 -0.01689926 0.01347590
-15.99897140 -2.36794162 18.73245093
0.00025973 -0.00022899 -0.00014008
0.01699037 -0.00063057 0.01436041
0.42777589 2.14980847 -4.60975365
-0.00003765 0.00013785 0.00009926
0.01712760 0.02227993 -0.00534169
22.74694152 -7.11018440 -8.81176054
0.00011203 -0.00001843 0.00001675
0.02231422 -0.00524722 0.00240393
-0.78833556 -6.44541301 7.29815134
-0.00009046 -0.00018063 -0.00004989
0.01453822 0.01040648 -0.00755906
-1.80565782 -1.42331590 -19.33535645
-0.00008805 -0.00008373 -0.00003019
-0.03377649 -0.00456464 -0.02314150
3.05366395 1.60309509 -9.18895817
-0.00034769 0.00004849 0.00021142
-0.00000204 0.02478932 -0.02523433
-3.48639577 17.73084973 12.38275897
0.00027544 0.00016779 0.00024898
-0.02030868 0.03652740 0.01293215
-3.93489783 5.23967288 -11.31770551
-0.00013104 0.00039028 -0.00005939
0.03770587 0.02631361 0.04290670
-7.85492932 2.71793120 -8.88468901
0.00007013 -0.00001852 -0.00006655
-0.06479878 -0.02432209 0.01007819
2.54131513 27.55090920 9.08379098
0.00017760 -0.00001274 0.00034021
0.00663033 -0.01034843 -0.02124721
9.32794421 -6.27403386 -1.69254632
-0.00028748 0.00001884 0.00012771
-0.00866403 0.02813325 -0.01764697
-8.64173932 0.69141871 6.24830706
0.00009989 -0.00011412 0.00015892
-0.04240192 -0.00020767 0.01579888
20.54716924 10.99521158 8.66816528
0.00003942 0.00018756 -0.00012680
-0.00734202 -0.03324699 0.01599364
-1.95691414 -2.22290706 -27.63904862
-0.00007986 0.00004328 -0.00006939
0.00521791 -0.01895033 0.00700237
-14.06673338 6.15093908 8.13620550
0.00036121 -0.00003304 0.00021740
0.00798335 0.00524211 0.00886353
-9.77258773 7.21628102 -1.89458264
-0.00028916 -0.00008401 0.00050475
-0.00271054 -0.01164576 0.01274146
-1.80849744 -15.01581181 22.92416966
0.00003871 0.00026967 -0.00067497
0.06609335 0.03077846 -0.03870793
-2.78804923 6.22396055 -6.03846686
-0.00010710 -0.00023305 0.00013916
0.00098336 -0.00755322 -0.00032382
-20.54395070 29.98287199 4.24969084
-0.00037797 -0.00055782 0.00009666
0.04092276 0.00366078 0.01735053
7.82642222 0.75763452 7.45164260
0.00031151 0.00042293 0.00000994
0.02630324 0.00516552 0.04567185
5.84447596 11.02422935 -13.41929937
0.00022437 -0.00042065 -0.00008353
-0.01569078 0.03121371 -0.05816340
15.65420154 2.90161480 -1.54265285
0.00007641 0.00021079 0.00041978
-0.02360308 -0.01901548 0.01801308
-4.44470484 12.92199346 -0.77031040
0.00008180 -0.00038855 -0.00003226
-0.00017060 0.00237059 -0.01201171
4.78231560 12.61559444 2.43219625
0.00011663 0.00020452 -0.00017941
-0.01040889 0.01453978 0.00895537
24.99686249 -11.40465252 -9.74687859
-0.00021909 0.00023225 0.00033781
-0.02343206 0.01235264 0.03136222
17.00378298 -3.35086214 -0.79659653
0.00043031 0.00038561 -0.00010970
-0.01303265 -0.02466715 0.02352169
13.57603430 7.72234825 10.28400000
0.00034918 -0.00029616 -0.00008248
0.03680016 -0.00157253 -0.05144662
1.84228316 -14.01084041 17.50421675
0.00027513 0.00002909 -0.00010742
0.01830678 0.00820554 0.00820590
-3.62268041 -0.70433676 -14.12880314
0.00005462 -0.00002380 0.00032957
-0.00457410 -0.00723473 0.03298560
15.02545750 -7.62378543 -8.84776842
0.00026890 -0.00019189 -0.00002854
-0.02292771 -0.03036369 -0.00505275
8.40248483 -6.84735584 9.00686876
0.00013156 0.00034946 0.00012314
0.00467625 0.01206244 -0.00031354
-21.09996159 2.47284447 22.89738775
0.00005759 0.00031019 0.00001063
-0.01587567 -0.01290007 0.01230313
25.77121723 -3.04751855 -8.25528427
0.00020538 0.00016413 -0.00003309
0.01556613 -0.01010407 0.00875280
9.94694671 -13.94881361 -8.63168139
0.00003940 -0.00019221 -0.00029979
-0.00892788 -0.00473643 0.00969648
-6.65719616 -12.21457281 16.97275732
0.00015002 0.00033423 0.00008732
0.01393474 0.00830632 0.03183298
7.39173379 2.69830545 -29.33329449
-0.00028849 -0.00044552 0.00001259
0.03389525 0.01124921 0.01671843
10.95241651 15.83680775 15.45749993
-0.00012712 0.00027353 0.00008286
0.04046512 0.00450353 0.03439973
28.85535540 6.43976676 -3.48224394
0.00015199 0.00018221 -0.00008273
0.01029400 -0.01233186 -0.00698693
5.13803437 -32.20498034 -3.59403822
-0.00051879 -0.00015643 -0.00038807
0.00765184 0.00020162 -0.00487595
4.77220844 -31.82759653 -0.58278383
-0.00046202 -0.00054362 -0.00066222
0.00567142 0.00150089 -0.00118892
-12.39146530 -3.13838958 -9.64524090
-0.00076093 -0.00000592 -0.00094909
0.00912800 0.02286028 0.00505471
-12.01788185 -0.50957101 -11.04590572
0.00030226 -0.00005861 -0.00033260
0.00099944 -0.01277140 0.01749037
-38.92998466 2.46200333 1.33922442
-0.00002528 0.00015028 -0.00019635
-0.01464217 -0.00331052 0.00631702
-37.79528011 3.99904840 -0.96829568
0.00027622 0.00029177 -0.00032596
0.00312388 -0.03155229 0.02343945
-10.81610040 -5.55420962 3.18307784
0.00010201 -0.00063737 0.00002201
-0.01411361 0.02346509 0.02286918
-10.54130433 -2.86046041 4.53126245
-0.00008461 0.00004537 0.00085713
-0.01403377 -0.01225871 -0.00837735
4.04843772 -2.28048783 8.44156269
-0.00023266 -0.00004052 -0.00009407
-0.00035092 -0.03742526 -0.00114656
3.64390384 -4.30847357 10.45966222
0.00012291 -0.00049702 0.00013926
0.00132302 -0.00080323 0.00035161
-34.64657241 -0.91069362 0.31972536
-0.00095799 0.00026540 0.00058936
-0.00718518 -0.00884782 0.00551735
-33.44703237 1.56767908 0.06992431
-0.00100816 0.00078140 -0.00086349
0.00685884 -0.02690985 0.00529390
13.22788456 13.14613667 -14.77524785
-0.00009653 0.00015705 0.00091046
-0.03220203 0.02100351 -0.05237377
16.01526231 12.35400860 -14.32797516
-0.00110720 -0.00044482 0.00008476
-0.04195018 0.00650004 0.01889459
-7.88022704 7.57916255 1.66652809
0.00065329 -0.00057466 -0.00031795
-0.00500971 -0.00305727 0.00372039
-7.35709376 4.72586305 1.40576168
-0.00010121 0.00020702 0.00061901
-0.00579724 0.03056095 0.03710715
6.22681430 12.31708115 -7.82803186
-0.00030771 -0.00023110 -0.00053779
0.00753935 0.00073600 0.01527698
8.53879988 13.47542387 -6.21910357
-0.00019895 0.00065990 -0.00000896
-0.00709748 -0.00736290 -0.01121107
8.93855715 8.14467988 -19.97507484
0.00009573 -0.00031724 0.00042080
0.00004236 0.01554499 0.00767555
10.64387187 10.46966605 -19.02520931
0.00001945 0.00044399 0.00049938
-0.02761388 -0.00487084 -0.00783486
24.28433246 15.92938170 -2.82913071
-0.00001770 0.00032051 -0.00004481
0.00361359 -0.02273361 -0.00198909
24.36621035 18.70097942 -3.01350759
0.00104892 -0.00048693 0.00046054
-0.00461886 -0.00260295 0.01003323
1.56568164 16.77632985 -21.47888538
0.00041211 -0.00011799 0.00105918
0.00357159 0.01165621 0.02509833
3.30879843 15.51607948 -19.46027951
-0.00077262 0.00018568 -0.00005738
-0.02167076 0.02832433 0.00278482
13.35135636 -1.96631721 -7.13166529
0.00109579 -0.00039499 -0.00051307
-0.00228282 -0.00344219 -0.00231619
12.65065651 -1.04010844 -4.53135930
-0.00025655 0.00037514 -0.00038132
0.01547187 0.00463561 -0.00743353
-17.94573153 -2.09586423 3.44420703
-0.00026832 -0.00110512 0.00060755
0.03610817 0.00773693 -0.01145628
-15.16376433 -3.01070651 3.16341639
-0.00028105 -0.00056560 0.00115331
0.00525711 0.00179931 0.00296029
-15.76867125 -0.60414263 19.20800809
0.00160133 0.00050475 -0.00065616
-0.00418212 -0.00376636 -0.00011550
-14.67433996 -3.27592061 19.73023954
0.00060637 -0.00076440 -0.00033495
-0.01935209 0.00391406 -0.01663785
-0.26074410 0.52994781 -5.06659995
-0.00080082 0.00045015 -0.00006432
-0.01614410 -0.01200100 -0.00207864
-0.73758737 3.50826636 -5.10697125
0.00053408 -0.00026393 0.00026081
-0.00409424 -0.00883921 0.00510723
23.92464187 -8.55294896 -9.18772950
-0.00024280 -0.00043751 0.00023120
-0.01857636 0.01354311 0.00956102
23.76726923 -5.71260155 -8.11568506
-0.00084696 0.00047538 0.00004408
-0.00460392 -0.00991475 -0.00989088
-0.57121677 -6.09795796 5.51141897
-0.00009230 0.00046686 0.00032078
-0.00252791 -0.00125023 -0.00240499
0.89191685 -5.90602832 7.90198613
-0.00024756 0.00114540 -0.00117413
-0.01257211 -0.00251629 0.00145058
-0.31187978 -2.36473012 -19.52414954
-0.00036849 -0.00015334 0.00024736
0.02942043 -0.01613391 0.00553231
-2.87028853 -2.35464658 -20.61323000
0.00112491 -0.00026813 -0.00022235
0.00826365 0.01779498 0.01440376
2.87258627 3.02557779 -10.39796560
-0.00010133 -0.00050016 -0.00111799
-0.00164926 -0.01202689 0.00174600
1.96796390 1.99909054 -7.77254791
0.00099770 0.00051333 -0.00006168
-0.00477264 0.00225006 0.01461958
-2.12189872 16.57533516 12.38254203
0.00066396 -0.00075935 -0.00038266
0.02563584 -0.02418939 -0.00673031
-3.00117838 18.76397402 13.88460181
0.00074166 0.00059819 -0.00079366
-0.00994495 -0.00448988 -0.00788999
-5.46914805 6.08762643 -11.58887068
0.00044491 -0.00092069 -0.00178695
-0.03481543 0.01360713 -0.00734628
-3.78613495 3.85030024 -12.35022289
0.00036553 0.00022344 -0.00053687
0.00192955 -0.03923225 -0.03269201
-8.06550920 1.16075579 -7.80380075
-0.00081012 0.00031327 -0.00011113
0.00241906 0.02996539 -0.00827212
-6.14862974 2.90641804 -9.02757869
0.00001018 -0.00010616 0.00064722
0.05828079 0.01170409 -0.00696824
2.80052257 27.23315818 7.25121758
-0.00095516 -0.00040142 0.00102239
-0.00527727 0.00550173 0.02293790
1.43725092 28.98715541 9.05846138
0.00003839 0.00030593 -0.00005340
-0.00764605 0.00246897 0.00405876
10.41319194 -6.82923230 -0.40854464
-0.00024911 0.00039695 0.00059618
0.01871352 -0.01502359 0.02375512
8.21852040 -7.61982458 -2.10434845
-0.00033492 -0.00029122 0.00091472
-0.00932525 -0.01156929 -0.00125061
-7.33519192 -0.06191828 7.25592408
-0.00078252 -0.00000656 0.00070612
0.01807854 -0.00221054 0.00354770
-10.21424589 0.49077401 7.28921001
-0.00013665 -0.00064389 0.00056306
0.02325623 0.00039107 -0.01985461
20.83343353 11.27860447 10.46375749
-0.00049134 0.00023929 -0.00033896
0.00047862 -0.00275599 -0.00987036
20.56909907 12.63025016 7.94270230
0.00109949 -0.00018045 -0.00026342
0.00848208 0.03088384 -0.00766557
-1.04288871 -3.78887696 -26.94885207
-0.00051943 -0.00156493 -0.00069976
-0.02155745 0.03161012 -0.00146348
-3.33604149 -1.77975133 -26.48520270
0.00053552 -0.00009190 -0.00062008
0.00645728 -0.01174480 -0.00451194
-13.54010866 6.73873256 9.81163756
-0.00055707 -0.00046727 0.00064087
-0.00499413 -0.00517892 -0.00777949
-15.07270975 7.57472457 7.56547805
0.00081287 0.00036677 0.00117687
0.00078612 -0.00054283 0.00142144
-11.58986807 7.40598710 -1.85658293
-0.00009217 -0.00092412 -0.00019602
0.00296287 0.00218327 -0.01234322
-9.04543311 8.09105796 -3.31572391
-0.00067353 0.00055982 0.00002002
-0.00154169 0.01204952 -0.01161689
-0.91754756 -16.52920762 22.39381226
-0.00059852 0.00079037 0.00027949
-0.00569716 -0.01037620 0.00317892
-3.29454704 -15.41631462 23.65657930
0.00005169 -0.00029566 0.00041402
-0.06423796 -0.02595348 0.03161496
-3.10156261 5.93288741 -7.84844685
-0.00099808 -0.00069107 0.00070991
-0.00526899 0.00366788 0.00719485
-4.38913412 6.61301725 -5.19305628
0.00098177 0.00009364 -0.00015282
0.01034280 0.00061946 -0.01430867
-21.74726197 29.75285504 2.94104038
0.00031474 -0.00020856 -0.00017548
-0.02518839 -0.00232330 -0.01630149
-21.26860371 31.05439396 5.49998349
-0.00015409 0.00072531 0.00051774
-0.01215751 0.00742998 0.00703095
7.21936806 -0.03453424 5.97578432
0.00007725 0.00115945 0.00003235
-0.01857325 -0.00682692 -0.03364874
7.01362404 2.32849720 7.87293286
-0.00055754 -0.00011510 -0.00099481
-0.00074903 0.00440161 -0.00861887
6.93314239 12.42754246 -12.86274042
0.00006842 -0.00123789 -0.00004620
0.00602903 -0.00113753 -0.00066759
5.15797197 11.91814714 -15.02060181
0.00011454 -0.00039304 -0.00031342
0.01522001 -0.03037315 0.04270776
14.25768442 4.04411514 -1.95906992
-0.00003447 0.00057302 0.00002649
0.00428405 -0.00239607 -0.00631473
14.77491419 1.28066283 -1.09716225
0.00028498 0.00038093 0.00054452
0.01611812 0.02578926 -0.01074961
-3.01689163 11.92116583 -0.21677404
-0.00028649 -0.00085144 -0.00019067
-0.01011863 0.00147686 0.00493097
-5.88004409 12.86732405 0.42487249
-0.00083701 -0.00031980 -0.00046154
0.01220511 -0.00696180 0.00052157
3.31125288 11.57503848 2.31238931
-0.00046536 -0.00102012 -0.00018970
-0.00942913 -0.01296817 0.00786662
6.13760171 11.51515986 2.94450548
-0.00025217 0.00073112 -0.00070290
0.02030663 -0.01137590 0.00294318
25.27891511 -12.86782811 -8.76121393
0.00020665 -0.00055073 -0.00070172
-0.00348316 -0.01346861 0.01984300
25.90047333 -11.63953968 -11.24574163
-0.00113011 -0.00090413 0.00038372
0.02509825 -0.00178837 -0.04069573
15.88551004 -2.81308515 0.58687460
-0.00034457 0.00015601 0.00037606
0.00346279 -0.00199481 -0.01578016
16.82667359 -5.23414878 -0.72272206
-0.00008306 -0.00016442 -0.00001146
0.00881653 0.02362236 -0.00520082
12.35097326 8.09764144 11.51135288
0.00101041 -0.00017016 0.00049086
-0.02345102 0.00765420 0.02993780
13.90041454 9.33274315 9.38884515
0.00147785 -0.00084909 -0.00021197
-0.00524826 -0.01007923 0.01354244
0.12549091 -14.62083445 17.21200987
0.00071667 0.00056240 -0.00017221
-0.00325368 0.00840795 0.00709568
2.00950565 -12.74992062 18.86728206
0.00027386 0.00021348 0.00029065
-0.01497776 -0.00966973 -0.01734221
-3.60194028 -1.55041204 -12.44729518
0.00052346 0.00096230 0.00014725
-0.00198887 0.00605447 -0.01861071
-2.54164491 -1.80965990 -15.07909496
0.00133622 -0.00041419 -0.00017994
-0.00047048 0.00030446 -0.00984764
14.57951953 -8.01080172 -10.59936894
-0.00101344 -0.00046859 -0.00043861
-0.00196776 -0.00748236 0.00370877
16.31853714 -6.40107252 -9.06905237
-0.00025517 -0.00076441 0.00006834
0.03103663 0.02878030 0.00118832
7.10207858 -5.47680665 8.79962182
0.00043076 0.00075452 0.00055474
0.02058735 -0.01635217 -0.00716401
9.92465143 -6.53409273 7.97837767
-0.00046595 0.00035355 0.00028373
-0.02704944 0.00770118 0.00605804
-20.88690267 2.14225234 21.11822470
0.00052275 0.00010966 0.00093582
-0.00124876 0.00084021 -0.01011704
-22.35194094 1.15673213 23.45750163
-0.00001287 -0.00069023 -0.00104625
0.01399755 0.01860696 -0.00290496
27.06120364 -2.79964128 -6.95381803
0.00042182 -0.00006438 -0.00051427
-0.00239874 -0.00759040 -0.00011797
25.66187832 -1.36700213 -8.98556848
0.00032394 -0.00023666 0.00002075
-0.00910158 0.00653286 -0.00242201
9.95762030 -15.55500048 -7.76182856
-0.00029672 0.00103721 -0.00006208
0.00050769 -0.00008628 -0.00276467
9.09140016 -12.79449420 -7.45700715
-0.00077142 0.00004100 -0.00101793
0.00116202 0.00229731 -0.00539356
-5.71177360 -11.29791811 18.36548659
-0.00000973 -0.00003686 -0.00007673
-0.01707279 -0.00884919 -0.02663731
-6.72832105 -11.08456641 15.53549205
0.00005713 0.00032199 -0.00003321
0.00092461 0.00358398 0.00211092
8.92198178 1.66410864 -29.53142251
-0.00036342 0.00071228 -0.00029213
-0.02165243 0.00255394 -0.00553970
5.96228167 2.09119903 -30.28655325
0.00041240 -0.00133731 -0.00019617
-0.00443640 -0.00855108 -0.00649689
12.70934950 15.32946003 14.65679557
-0.00128299 0.00125672 0.00020633
-0.02983442 0.00458752 0.00363442
11.57704977 16.32046612 17.21595003
-0.00017661 0.00043920 0.00041662
-0.02580470 -0.01120279 -0.03655181
29.00525169 5.30390917 -4.95136417
0.00020798 0.00028456 0.00027749
0.01033634 -0.00524274 0.00782243
27.18207413 7.05227111 -3.83269372
0.00003284 0.00051932 0.00028930
-0.01711575 0.00873082 0.00404459
-9.94950815 5.12426467 6.40524125
0.00002372 0.00029450 -0.00015701
0.00141770 -0.00047378 0.00578770
-8.88994660 13.37726618 2.62060316
-0.00013469 0.00000922 0.00005506
0.00072522 -0.00169184 0.00189935
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09379783
0.31254043
416.44445465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3596856685 (a.u.)
total exchange computation time: 2.7108001709 s
-154.0243227817
-931.40668894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3594878351 (a.u.)
total exchange computation time: 2.7081940174 s
-154.0267768702
Anderson extrapolation: theta=1.3582516201 (1.3582516201)
-931.40694346
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3591215772 (a.u.)
total exchange computation time: 2.7063829899 s
-154.0307259464
Anderson extrapolation: theta=0.0575269501 (0.0575269501)
-931.40709931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3590187461 (a.u.)
total exchange computation time: 2.7096469402 s
-154.0315100850
Anderson extrapolation: theta=2.0957833709 (2.0000000000)
-931.40710635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3587814819 (a.u.)
total exchange computation time: 2.7074968815 s
-154.0332066409
Anderson extrapolation: theta=0.2869972658 (0.2869972658)
-931.40711463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3587029829 (a.u.)
total exchange computation time: 2.7079708576 s
-154.0336714964
Anderson extrapolation: theta=1.5194554020 (1.5194554020)
-931.40711649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3586001385 (a.u.)
total exchange computation time: 2.7075021267 s
-154.0341774723
Anderson extrapolation: theta=0.3479089804 (0.3479089804)
-931.40711843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3585834167 (a.u.)
total exchange computation time: 2.7096390724 s
-154.0341551962
Anderson extrapolation: theta=1.0712401242 (1.0712401242)
-931.40711899
-163.156194 68.976145 97.581784
560.949156 1031.602794 -409.150476
397.792962 1100.578939 -311.568692
1211.027783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3585811200 (a.u.)
total exchange computation time: 2.7154510021 s
678.67125219
-1083.29236501
89.84246291
-389.46460916
-174.80527917
77.98929665
551.60419304
0.00000000
-931.40711936
4.05885190 -31.58312761 -2.25742952
-0.00003965 -0.00044021 -0.00015375
-0.01939173 0.00492542 -0.01479267
-11.70922885 -1.39609024 -9.43607557
-0.00033049 0.00020004 -0.00019691
-0.01587521 -0.01730835 -0.02480548
-37.53083131 2.46938188 0.21236398
0.00003545 0.00025275 -0.00014037
0.01411382 0.04380885 -0.04259905
-11.80006297 -4.18766259 4.13093115
-0.00010490 0.00011503 0.00025648
0.02876250 -0.01090631 -0.00796326
3.93214521 -4.18100314 8.62749608
-0.00023597 -0.00018909 -0.00044769
0.00112324 0.03907780 0.01106467
-32.97268687 -0.25348750 0.21343996
-0.00052918 0.00010765 0.00041525
-0.00322075 0.04042731 -0.01151050
14.25307425 12.52936636 -13.53689364
0.00005917 0.00016587 -0.00012973
0.07980037 -0.02665749 0.03263408
-7.74441645 6.11739722 2.77139256
0.00007711 0.00004648 0.00009413
0.01609828 -0.02940689 -0.03621226
7.23255793 12.08609045 -6.28368989
-0.00003639 -0.00028241 -0.00031549
0.00667816 0.01272273 -0.01036504
8.85660889 9.80665470 -19.17873722
0.00014464 -0.00040119 -0.00017238
0.02349459 -0.01023155 0.00157890
23.20151306 17.34925170 -2.49544725
0.00016318 -0.00002036 -0.00034231
0.01326691 0.01650872 -0.00687916
2.01928349 16.94893483 -19.62939838
-0.00016824 0.00015996 -0.00005321
0.01528284 -0.03175744 -0.01571536
14.02943906 -0.94265064 -5.77320572
-0.00002830 -0.00025619 0.00019689
-0.01287617 -0.01880220 0.01758933
-16.15600321 -1.46704023 3.20069995
-0.00017805 -0.00012932 0.00002277
-0.04149973 -0.02028544 0.01398598
-15.99500994 -2.37137885 18.73040507
0.00026900 -0.00022831 -0.00013220
0.01907210 0.00324522 0.01630046
0.42727714 2.15196217 -4.60828539
-0.00002834 0.00014822 0.00009674
0.01907941 0.01803444 -0.00444956
22.74870797 -7.11048109 -8.81150006
0.00012304 -0.00002132 0.00001785
0.02050303 -0.00599316 0.00189772
-0.78963632 -6.44808225 7.29737389
-0.00008297 -0.00017516 -0.00005365
0.01456211 0.01083739 -0.00708912
-1.80710888 -1.42458940 -19.33589863
-0.00010511 -0.00008571 -0.00004175
-0.03254455 -0.00315233 -0.02177613
3.04844859 1.60391813 -9.18588424
-0.00034662 0.00006111 0.00019655
0.00414557 0.02428582 -0.03259212
-3.48234247 17.73350755 12.38654351
0.00026639 0.00018489 0.00025482
-0.01487377 0.02996831 0.00978968
-3.93671795 5.24562855 -11.31843083
-0.00011022 0.00040160 -0.00003813
0.04323771 0.01769894 0.03976933
-7.85412725 2.71755964 -8.88564831
0.00003675 -0.00003070 -0.00006166
-0.06503507 -0.02306188 0.00893000
2.54400473 27.55067811 9.08881221
0.00018026 -0.00001719 0.00033048
0.00371160 -0.00692947 -0.01659137
9.32359861 -6.27364268 -1.69069872
-0.00029161 0.00003279 0.00011906
-0.00739580 0.02608423 -0.01600428
-8.64040455 0.68970606 6.25075186
0.00007708 -0.00011416 0.00016724
-0.04628879 0.00005191 0.01654920
20.54773219 10.99789672 8.66632504
0.00003557 0.00016998 -0.00011894
-0.00762068 -0.03513271 0.01455816
-1.95809188 -2.22233092 -27.64006249
-0.00007559 0.00003235 -0.00006648
0.01138990 -0.02358158 0.00431850
-14.06128438 6.15046371 8.13950065
0.00036542 -0.00003051 0.00022218
0.00836141 0.00460369 0.00973959
-9.77693554 7.21497599 -1.88696225
-0.00028956 -0.00008942 0.00051025
0.00114713 -0.00939187 0.00863206
-1.80766190 -15.01164811 22.91389584
0.00006957 0.00028644 -0.00069337
0.05392761 0.03443704 -0.03283847
-2.78965190 6.22043565 -6.03638064
-0.00010509 -0.00023717 0.00013855
0.00680723 -0.00847947 -0.00205212
-20.54946234 29.97451882 4.25120771
-0.00035727 -0.00055471 0.00010744
0.03957293 0.00844585 0.02457212
7.83119629 0.76399835 7.45196784
0.00032505 0.00042534 0.00003329
0.02637424 0.00421630 0.04514911
5.84778100 11.01804002 -13.42077675
0.00021559 -0.00040541 -0.00011384
-0.01843559 0.02805614 -0.05967198
15.65525672 2.90470328 -1.53628667
0.00006405 0.00020181 0.00042874
-0.02447164 -0.01591166 0.01682518
-4.44347850 12.91617435 -0.77084070
0.00008103 -0.00038715 -0.00003817
-0.00282460 0.00307820 -0.01094510
4.78402485 12.61871836 2.42953958
0.00010821 0.00021134 -0.00017532
-0.02232353 0.01198882 0.00696140
24.99348570 -11.40112111 -9.74169051
-0.00023098 0.00023802 0.00035439
-0.02279142 0.01009444 0.03313369
17.01018743 -3.34517313 -0.79815123
0.00042268 0.00037237 -0.00009662
-0.01664314 -0.02683742 0.02730744
13.58141398 7.71789985 10.28256442
0.00036803 -0.00029738 -0.00010878
0.03649963 -0.00318917 -0.05082419
1.84648069 -14.01037234 17.50263709
0.00028549 0.00003410 -0.00010254
0.02200709 0.01127042 0.01079259
-3.62187881 -0.70472160 -14.12373229
0.00005386 -0.00002843 0.00034419
0.00162926 -0.01078017 0.02386327
15.02940263 -7.62678093 -8.84821606
0.00025556 -0.00020873 -0.00003207
-0.02896449 -0.03512821 -0.00867003
8.40447632 -6.84206740 9.00871464
0.00013309 0.00035558 0.00012357
0.00127428 0.01174729 0.00197452
-21.09915891 2.47744752 22.89759469
0.00004877 0.00030316 0.00001850
-0.01845196 -0.01442634 0.01829024
25.77435799 -3.04509556 -8.25574681
0.00021318 0.00015820 -0.00002871
0.01476775 -0.01295159 0.00826883
9.94750334 -13.95171498 -8.63614077
0.00003468 -0.00019287 -0.00029559
-0.00945129 0.00215073 0.00662333
-6.65489211 -12.20952737 16.97418990
0.00015681 0.00033823 0.00010310
0.01246272 0.00727002 0.02954861
7.38753715 2.69166597 -29.33304116
-0.00027195 -0.00043913 0.00002134
0.03044007 0.01361808 0.01731379
10.95066584 15.84092813 15.45887548
-0.00010725 0.00027631 0.00010124
0.03679150 0.00628389 0.03708828
28.85767501 6.44245239 -3.48351188
0.00015699 0.00017634 -0.00008588
0.00915457 -0.01052144 -0.00526035
5.13048695 -32.20732065 -3.60000870
-0.00048527 -0.00015678 -0.00040956
0.00875746 -0.00037175 -0.00564349
4.76545198 -31.83570488 -0.59275354
-0.00043487 -0.00053888 -0.00065963
0.00761867 0.00081977 0.00245615
-12.40259948 -3.13777780 -9.65932229
-0.00072132 0.00009187 -0.00092681
0.01025937 0.02500667 0.00584852
-12.01331731 -0.51084154 -11.05035878
0.00030596 -0.00010881 -0.00026265
0.00081239 -0.01179992 0.01675031
-38.93081250 2.46415607 1.33647274
-0.00008485 0.00013701 -0.00017112
-0.01452107 -0.00318274 0.00603276
-37.79104110 4.00245804 -0.97246685
0.00028832 0.00016263 -0.00022951
0.00279890 -0.03166139 0.02377352
-10.81500275 -5.56305111 3.18410883
0.00004178 -0.00053618 0.00011897
-0.01536768 0.02606897 0.02458961
-10.54300356 -2.86015557 4.54386270
-0.00014196 -0.00000565 0.00082187
-0.01403787 -0.01271248 -0.00888063
4.04493700 -2.28224252 8.44011646
-0.00023422 -0.00019391 -0.00009875
-0.00041025 -0.03765581 -0.00114303
3.64578798 -4.31595348 10.46176188
0.00012905 -0.00049954 0.00013344
0.00168419 -0.00043103 -0.00319823
-34.66116246 -0.90698372 0.32873476
-0.00098191 0.00023146 0.00061188
-0.00452508 -0.00776698 0.00550881
-33.46194458 1.57857555 0.05713425
-0.00097743 0.00066192 -0.00084041
0.00818458 -0.03157987 0.00600356
13.22544983 13.14913605 -14.76319582
-0.00023564 0.00024730 0.00068842
-0.03589223 0.02317289 -0.05631505
15.99736884 12.34753543 -14.32612485
-0.00126736 -0.00041796 0.00015675
-0.03645177 0.00664870 0.01634632
-7.87058116 7.57044898 1.66187286
0.00063181 -0.00058252 -0.00030460
-0.00550721 -0.00079266 0.00281650
-7.35878956 4.72990479 1.41618390
-0.00012392 0.00032748 0.00076748
-0.00532153 0.02840665 0.03556976
6.22242965 12.31363725 -7.83563052
-0.00027479 -0.00022830 -0.00047195
0.00857616 0.00063328 0.01694857
8.53559821 13.48509668 -6.21958158
-0.00023185 0.00062454 -0.00005524
-0.00900845 -0.00994388 -0.01143930
8.93999434 8.14039757 -19.96852760
0.00009748 -0.00025798 0.00044978
0.00081603 0.01346520 0.00651168
10.64331748 10.47617672 -19.01795862
-0.00009480 0.00042147 0.00046608
-0.02831298 -0.00615696 -0.00846580
24.28417768 15.93349268 -2.82986385
-0.00000044 0.00022223 -0.00005364
0.00483390 -0.02537381 -0.00233279
24.38180257 18.69359572 -3.00629206
0.00102887 -0.00049576 0.00050060
-0.00519618 -0.00171987 0.00957957
1.57197272 16.77491717 -21.46222856
0.00042225 -0.00007069 0.00114810
0.00139137 0.01149724 0.01842970
3.29654514 15.51973269 -19.46105485
-0.00085708 0.00029779 -0.00004435
-0.01967471 0.02655227 0.00359489
13.36772322 -1.97234759 -7.13943231
0.00108659 -0.00040715 -0.00051845
-0.00221993 -0.00250785 -0.00031950
12.64728242 -1.03433922 -4.53730682
-0.00019647 0.00039252 -0.00041027
0.01393527 0.00386818 -0.00674141
-17.94864981 -2.11220394 3.45296918
-0.00011768 -0.00107006 0.00055964
0.03762946 0.00942715 -0.01199536
-15.16781903 -3.01913534 3.18080671
-0.00026004 -0.00055392 0.00116501
0.00503081 0.00391925 0.00276833
-15.74477948 -0.59668686 19.19816216
0.00158245 0.00047878 -0.00065906
-0.00505744 -0.00894621 -0.00130352
-14.66583739 -3.28726664 19.72470541
0.00052463 -0.00074594 -0.00040441
-0.02066106 0.00512007 -0.01736065
-0.27325106 0.53633233 -5.06762847
-0.00086469 0.00040172 -0.00007217
-0.01512190 -0.01170533 -0.00176398
-0.72970163 3.50403655 -5.10290258
0.00051214 -0.00029255 0.00027956
-0.00664443 -0.00516841 0.00407098
23.92043063 -8.55909655 -9.18396850
-0.00031752 -0.00038034 0.00027076
-0.01800121 0.01443941 0.00980102
23.75442380 -5.70577473 -8.11532692
-0.00086283 0.00043500 0.00000428
-0.00316633 -0.00985161 -0.00959369
-0.57267868 -6.09099338 5.51615701
-0.00010475 0.00046130 0.00030622
-0.00356951 -0.00147196 -0.00472133
0.88781826 -5.88892446 7.88441861
-0.00029642 0.00113470 -0.00116431
-0.01134866 -0.00272199 0.00335927
-0.31650557 -2.36752467 -19.52026956
-0.00024469 -0.00021980 0.00027093
0.03117702 -0.01639739 0.00600226
-2.85316171 -2.35812331 -20.61612390
0.00115232 -0.00019746 -0.00016743
0.00515593 0.01680291 0.01248316
2.87101579 3.01770686 -10.41468200
-0.00010838 -0.00055206 -0.00110553
-0.00180083 -0.01337842 0.00435635
1.98278322 2.00685942 -7.77302508
0.00096986 0.00052607 0.00000750
-0.00885979 0.00398538 0.01924293
-2.11115372 16.56320361 12.37659590
0.00075583 -0.00084655 -0.00040874
0.01933366 -0.01849215 -0.00603376
-2.99035829 18.77280931 13.87245517
0.00070263 0.00058149 -0.00082129
-0.00915973 -0.00368436 -0.00563510
-5.46354129 6.07423299 -11.61590002
0.00029057 -0.00085710 -0.00181786
-0.04073606 0.01752203 -0.00778738
-3.78059291 3.85244971 -12.35927767
0.00037474 0.00007200 -0.00066263
0.00258001 -0.03489918 -0.02887190
-8.07758690 1.16637313 -7.80572111
-0.00079923 0.00043303 -0.00014349
0.00291431 0.02865846 -0.00757147
-6.14669121 2.90518424 -9.01808392
0.00024790 -0.00005891 0.00061972
0.05808830 0.01142470 -0.00649384
2.78603351 27.22730542 7.26725638
-0.00097392 -0.00038150 0.00110525
-0.00390597 0.00425133 0.01762163
1.43759248 28.99182009 9.05778480
0.00001044 0.00031135 -0.00003561
-0.00603629 0.00017995 0.00465047
10.41002878 -6.82373840 -0.39887398
-0.00017610 0.00033797 0.00068905
0.01702244 -0.01384669 0.02170453
8.21321084 -7.62454745 -2.09066601
-0.00037198 -0.00033700 0.00091005
-0.00881583 -0.01083881 -0.00103512
-7.34637572 -0.06208450 7.26662458
-0.00070345 -0.00001770 0.00072267
0.02062681 -0.00324166 0.00455380
-10.21558297 0.48112762 7.29704748
-0.00003887 -0.00064020 0.00047818
0.02460816 0.00141546 -0.02169389
20.82607806 11.28210944 10.45837066
-0.00048883 0.00022850 -0.00037478
0.00075350 -0.00253048 -0.00766575
20.58585127 12.62848971 7.93851614
0.00113387 -0.00005138 -0.00029623
0.00835131 0.03230141 -0.00839846
-1.05134079 -3.81138232 -26.95939337
-0.00060972 -0.00142767 -0.00070711
-0.02263891 0.03558093 -0.00213291
-3.32781075 -1.78148979 -26.49464214
0.00055243 -0.00013732 -0.00063072
0.00181732 -0.01048866 -0.00069585
-13.54861770 6.73156481 9.82101215
-0.00057563 -0.00048955 0.00061005
-0.00409504 -0.00572511 -0.00730669
-15.06049268 7.58020944 7.58317468
0.00081337 0.00036715 0.00117951
-0.00054060 0.00072866 -0.00012830
-11.59115989 7.39219224 -1.85990153
-0.00008536 -0.00091487 -0.00024525
0.00037488 0.00234111 -0.01175101
-9.05558327 8.09982443 -3.31577958
-0.00068191 0.00060431 -0.00002042
-0.00255981 0.00972968 -0.00817943
-0.92670000 -16.51766996 22.39810206
-0.00061342 0.00073566 0.00028695
-0.00159404 -0.01640473 0.00047303
-3.29574009 -15.42154487 23.66375835
-0.00019461 -0.00039660 0.00053652
-0.05632929 -0.02345661 0.02835040
-3.11669531 5.92263370 -7.83757773
-0.00101891 -0.00067632 0.00073485
-0.00492496 0.00355621 0.00501292
-4.37409058 6.61444083 -5.19578698
0.00101110 0.00009918 -0.00020322
0.00401252 0.00209097 -0.01036329
-21.74331272 29.74965543 2.93790863
0.00020868 -0.00021754 -0.00024443
-0.02672939 -0.00207091 -0.01744804
-21.27128767 31.06550135 5.50796510
-0.00019799 0.00074550 0.00053395
-0.00932974 0.00245061 0.00089992
7.21995762 -0.01735172 5.97523846
0.00000184 0.00112812 -0.00010750
-0.01834080 -0.00850673 -0.03480724
7.00523794 2.32690551 7.85774655
-0.00056125 -0.00009235 -0.00102668
-0.00106759 0.00673555 -0.00698223
6.93435337 12.40893931 -12.86345387
0.00009730 -0.00123606 -0.00004634
0.00811115 0.00203160 0.00060109
5.16015643 11.91132077 -15.02399437
0.00017765 -0.00051723 -0.00013778
0.01567609 -0.03041822 0.04326970
14.25729858 4.05263695 -1.95886611
-0.00001308 0.00055936 0.00000245
0.00619100 -0.00428853 -0.00545386
14.77968286 1.28716703 -1.08932379
0.00034882 0.00048364 0.00050119
0.01513180 0.02448953 -0.01046474
-3.02149898 11.90843947 -0.21948303
-0.00032718 -0.00084636 -0.00016957
-0.00980130 0.00101109 0.00539646
-5.89222522 12.86231376 0.41796530
-0.00078247 -0.00034844 -0.00046215
0.01449222 -0.00706113 -0.00081867
3.30398352 11.55933936 2.30978482
-0.00048779 -0.00106162 -0.00015634
-0.00155208 -0.00735095 0.00846675
6.13444143 11.52577801 2.93405213
-0.00016110 0.00067805 -0.00068755
0.02427335 -0.01460023 0.00457170
25.28190815 -12.87650178 -8.77113161
0.00019069 -0.00060293 -0.00062018
-0.00433163 -0.01208290 0.02006738
25.88429079 -11.65315640 -11.24123289
-0.00102643 -0.00090974 0.00021266
0.02565491 -0.00095860 -0.04303683
15.88044756 -2.81080613 0.59203191
-0.00032388 0.00014574 0.00030445
0.00666522 -0.00303437 -0.01927335
16.82569784 -5.23589122 -0.72305326
-0.00004588 -0.00006150 -0.00003332
0.00938445 0.02675553 -0.00550126
12.36541086 8.09532362 11.51963319
0.00091566 -0.00013797 0.00061140
-0.02293117 0.00810271 0.02906608
13.92242150 9.31969789 9.38608059
0.00145480 -0.00088767 -0.00015659
-0.00603462 -0.00880606 0.01356639
0.13614121 -14.61214087 17.20964410
0.00069602 0.00059352 -0.00014446
-0.00685409 0.00682687 0.00648781
2.01315455 -12.74701470 18.87111043
0.00021236 0.00017082 0.00021594
-0.01512538 -0.01121395 -0.01923110
-3.59414934 -1.53579199 -12.44565678
0.00051546 0.00098241 0.00007807
-0.00192429 0.00379032 -0.01525226
-2.52161610 -1.81586340 -15.08209581
0.00132142 -0.00040087 -0.00020845
-0.00677354 0.00621433 -0.00410668
14.56425769 -8.01805990 -10.60583451
-0.00101672 -0.00049600 -0.00041358
0.00035764 -0.00593292 0.00854798
16.31566064 -6.41165670 -9.06799089
-0.00012087 -0.00064000 0.00007062
0.03470298 0.03211653 -0.00007245
7.10917089 -5.46598991 8.80772346
0.00051454 0.00068661 0.00052522
0.02042448 -0.01689210 -0.00728710
9.91683337 -6.52855347 7.98281918
-0.00056892 0.00038633 0.00030372
-0.02335675 0.00834473 0.00372995
-20.87909970 2.14392291 21.13195192
0.00052034 0.00011212 0.00088177
0.00006967 0.00036721 -0.01633714
-22.35170512 1.14694880 23.44171880
0.00004702 -0.00061017 -0.00105692
0.01532285 0.02058677 -0.00231428
27.06745745 -2.80083954 -6.96153564
0.00041398 -0.00009505 -0.00051207
-0.00143959 -0.00742375 0.00119455
25.66645848 -1.37035181 -8.98533138
0.00028589 -0.00020480 0.00000903
-0.00952235 0.00906369 -0.00331788
9.95318500 -15.53944492 -7.76284455
-0.00029407 0.00102261 -0.00006634
0.00079029 -0.00706194 0.00068327
9.07986451 -12.79380877 -7.47244132
-0.00076578 0.00005083 -0.00104026
0.00159544 0.00251486 -0.00554124
-5.71244272 -11.29874217 18.36351945
-0.00007698 -0.00007030 -0.00018225
-0.01584377 -0.00751831 -0.02501658
-6.72743572 -11.07962666 15.53505863
0.00006108 0.00033621 -0.00002324
0.00100965 0.00337302 0.00276598
8.91586691 1.67487105 -29.53597426
-0.00044297 0.00071728 -0.00031520
-0.01728785 -0.00010488 -0.00575256
5.96833169 2.07087733 -30.28969481
0.00039262 -0.00137121 -0.00022314
-0.00524482 -0.00804149 -0.00670992
12.68919045 15.34845136 14.66000191
-0.00139696 0.00127198 0.00021860
-0.02595484 0.00288287 0.00237261
11.57360991 16.32671080 17.22107926
-0.00028246 0.00039260 0.00026498
-0.02600999 -0.01160896 -0.03767691
29.00868819 5.30801690 -4.94696214
0.00024926 0.00026096 0.00030578
0.00987088 -0.00631004 0.00602820
27.18204226 7.06032848 -3.82823027
-0.00003393 0.00055302 0.00030553
-0.01557133 0.00776561 0.00390073
-9.94914849 5.12868085 6.40290158
0.00002420 0.00029430 -0.00015492
0.00124923 -0.00063785 0.00591708
-8.89196572 13.37740160 2.62143231
-0.00013453 0.00000885 0.00005548
0.00067178 -0.00154197 0.00176805
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09390441
0.31321495
417.34321584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3662274621 (a.u.)
total exchange computation time: 2.6200330257 s
-154.0514732684
-931.40874611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3660125873 (a.u.)
total exchange computation time: 2.6207730770 s
-154.0542210657
Anderson extrapolation: theta=1.3481214492 (1.3481214492)
-931.40899695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3656501908 (a.u.)
total exchange computation time: 2.6221280098 s
-154.0584163361
Anderson extrapolation: theta=0.0534701917 (0.0534701917)
-931.40914863
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3655690652 (a.u.)
total exchange computation time: 2.6210629940 s
-154.0590945113
Anderson extrapolation: theta=1.9776406054 (1.9776406054)
-931.40915486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3653861518 (a.u.)
total exchange computation time: 2.6194808483 s
-154.0605160444
Anderson extrapolation: theta=0.2303974579 (0.2303974579)
-931.40916186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3653369945 (a.u.)
total exchange computation time: 2.6192560196 s
-154.0608085433
Anderson extrapolation: theta=1.8703508038 (1.8703508038)
-931.40916331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3652615227 (a.u.)
total exchange computation time: 2.6200411320 s
-154.0611547141
Anderson extrapolation: theta=0.2811421326 (0.2811421326)
-931.40916518
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3652572883 (a.u.)
total exchange computation time: 2.6197230816 s
-154.0610644376
Anderson extrapolation: theta=1.3009345594 (1.3009345594)
-931.40916563
-163.203259 68.979062 97.601313
560.953241 1031.588074 -409.144177
397.749983 1100.567136 -311.542864
1210.996295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3652641381 (a.u.)
total exchange computation time: 2.6203389168 s
678.75645601
-1083.50196437
89.84503643
-389.32236468
-174.82106526
78.10375310
551.60419304
0.00000000
-931.40916601
4.05818236 -31.58971180 -2.25979281
-0.00005027 -0.00043740 -0.00016214
-0.02190747 0.00600651 -0.01783610
-11.71424744 -1.39315642 -9.43912485
-0.00033879 0.00019048 -0.00020953
-0.01641116 -0.01985520 -0.02429718
-37.53024506 2.47334207 0.21009416
0.00004260 0.00027509 -0.00016200
0.01367759 0.04307376 -0.04151021
-11.80152546 -4.18597920 4.13474764
-0.00008996 0.00010889 0.00025218
0.02931340 -0.01296722 -0.00876993
3.92860999 -4.18368870 8.62082345
-0.00023553 -0.00016922 -0.00044108
0.00057242 0.03817102 0.01463734
-32.98063703 -0.25171674 0.21962433
-0.00053185 0.00012906 0.00040916
-0.00715464 0.04281463 -0.01217731
14.25426961 12.53175161 -13.53871378
0.00009879 0.00015201 -0.00011180
0.07428836 -0.02724120 0.03709610
-7.74319766 6.11798106 2.77266485
0.00008534 0.00003153 0.00007632
0.01590046 -0.02876178 -0.03306810
7.23203781 12.08190345 -6.28846227
-0.00003274 -0.00027525 -0.00032111
0.00752329 0.01511015 -0.01149338
8.85886914 9.80059732 -19.18131690
0.00015655 -0.00040552 -0.00017112
0.02282575 -0.00659499 0.00334321
23.20401193 17.34900997 -2.50060849
0.00016979 -0.00001155 -0.00034572
0.01245821 0.01773357 -0.00636804
2.01681889 16.95121175 -19.63025710
-0.00016039 0.00014426 -0.00005954
0.01524316 -0.02930995 -0.00892944
14.02896483 -0.94656595 -5.77018445
-0.00003447 -0.00026584 0.00020510
-0.01111792 -0.01875759 0.01431377
-16.15883400 -1.46905821 3.20109543
-0.00019945 -0.00014055 0.00003008
-0.04171785 -0.02341219 0.01443369
-15.99090134 -2.37479104 18.72848496
0.00027923 -0.00022566 -0.00012346
0.02069626 0.00707130 0.01769266
0.42692558 2.15425499 -4.60685145
-0.00001807 0.00015621 0.00009465
0.02086842 0.01303514 -0.00368744
22.75063260 -7.11082401 -8.81122495
0.00013297 -0.00002453 0.00001869
0.01812614 -0.00650318 0.00135220
-0.79082474 -6.45066788 7.29654176
-0.00007553 -0.00016950 -0.00005721
0.01438481 0.01120000 -0.00674600
-1.80881101 -1.42588722 -19.33660881
-0.00012115 -0.00008707 -0.00005251
-0.02983416 -0.00214998 -0.02006735
3.04326521 1.60492852 -9.18306174
-0.00034352 0.00007338 0.00017806
0.00793261 0.02342124 -0.03931375
-3.47840392 17.73639656 12.39040357
0.00026019 0.00019845 0.00025896
-0.00926438 0.02274616 0.00631437
-3.93820451 5.25172077 -11.31884934
-0.00008695 0.00040838 -0.00001881
0.04728044 0.00869901 0.03536116
-7.85382690 2.71701017 -8.88653872
0.00000406 -0.00004200 -0.00005752
-0.06207938 -0.02085800 0.00716472
2.54672296 27.55039356 9.09370544
0.00018140 -0.00001980 0.00032333
0.00072358 -0.00322970 -0.01122039
9.31919595 -6.27305026 -1.68897459
-0.00029497 0.00004548 0.00011146
-0.00569086 0.02327714 -0.01354215
-8.63942689 0.68799381 6.25332433
0.00005263 -0.00011412 0.00017590
-0.04880301 0.00010773 0.01713237
20.54823636 11.00031083 8.66459712
0.00003158 0.00015175 -0.00011205
-0.00788957 -0.03574539 0.01221992
-1.95918176 -2.22193670 -27.64104304
-0.00006820 0.00001918 -0.00006507
0.01734061 -0.02761088 0.00115473
-14.05577087 6.15002386 8.14287094
0.00036978 -0.00002831 0.00022734
0.00859422 0.00395947 0.01032697
-9.78127450 7.21359851 -1.87927526
-0.00028798 -0.00009361 0.00051358
0.00499007 -0.00692247 0.00432997
-1.80641032 -15.00721874 22.90336868
0.00009352 0.00030488 -0.00070836
0.03920320 0.03729419 -0.02546380
-2.79120206 6.21684534 -6.03431025
-0.00009997 -0.00024182 0.00013700
0.01311470 -0.00957709 -0.00398121
-20.55466870 29.96623080 4.25291414
-0.00033746 -0.00054919 0.00012168
0.03743583 0.01298546 0.03080610
7.83617382 0.77039472 7.45264140
0.00033845 0.00042713 0.00005603
0.02572268 0.00275416 0.04326555
5.85094381 11.01206713 -13.42271448
0.00020552 -0.00039192 -0.00014465
-0.02073069 0.02441088 -0.06014880
15.65612311 2.90766901 -1.52979069
0.00005139 0.00019458 0.00043702
-0.02475849 -0.01220274 0.01538812
-4.44227395 12.91037898 -0.77145543
0.00007892 -0.00038537 -0.00004355
-0.00538801 0.00383939 -0.01000246
4.78556187 12.62193477 2.42693660
0.00009395 0.00021678 -0.00017218
-0.03313246 0.00916752 0.00527046
24.98993308 -11.39751184 -9.73624681
-0.00024224 0.00024241 0.00037152
-0.02098837 0.00695145 0.03346091
17.01646348 -3.33969117 -0.79949527
0.00041332 0.00035816 -0.00008177
-0.01977442 -0.02841664 0.03045635
13.58707524 7.71342686 10.28073674
0.00038640 -0.00029944 -0.00013438
0.03491355 -0.00482835 -0.04875567
1.85084800 -14.00981733 17.50114069
0.00029770 0.00004056 -0.00009644
0.02546348 0.01382634 0.01291691
-3.62106464 -0.70518960 -14.11847734
0.00005617 -0.00003469 0.00035408
0.00736391 -0.01356812 0.01458516
15.03312431 -7.63004743 -8.84873059
0.00023942 -0.00022773 -0.00003738
-0.03379898 -0.03873038 -0.01198639
8.40647765 -6.83668833 9.01057575
0.00013282 0.00036142 0.00012528
-0.00232521 0.01096748 0.00467792
-21.09849858 2.48193927 22.89794274
0.00003873 0.00029544 0.00002930
-0.02059127 -0.01558455 0.02369044
25.77761269 -3.04277249 -8.25614556
0.00022054 0.00015087 -0.00002464
0.01384889 -0.01555305 0.00757382
9.94798706 -13.95459977 -8.64054906
0.00002971 -0.00018998 -0.00029303
-0.00988232 0.00907798 0.00332268
-6.65249190 -12.20442585 16.97585044
0.00016274 0.00034164 0.00011753
0.01060106 0.00597502 0.02656506
7.38357534 2.68513154 -29.33265426
-0.00025743 -0.00043151 0.00003033
0.02601560 0.01601463 0.01765187
10.94919900 15.84509698 15.46053714
-0.00008959 0.00027997 0.00012085
0.03188034 0.00797377 0.03915722
28.86006524 6.44505685 -3.48482040
0.00016129 0.00017147 -0.00008814
0.00755332 -0.00840603 -0.00352396
5.12347624 -32.20968374 -3.60632504
-0.00044765 -0.00015925 -0.00043376
0.00965657 -0.00083551 -0.00620370
4.75916245 -31.84376299 -0.60257273
-0.00039991 -0.00053692 -0.00064217
0.00949264 0.00014284 0.00609205
-12.41310491 -3.13563346 -9.67304524
-0.00067768 0.00019694 -0.00090142
0.01110187 0.02642468 0.00657855
-12.00870298 -0.51283525 -11.05378528
0.00030876 -0.00015442 -0.00019678
0.00055585 -0.01052941 0.01549281
-38.93253028 2.46611376 1.33409079
-0.00014279 0.00012427 -0.00014797
-0.01383688 -0.00305379 0.00529844
-37.78663055 4.00392728 -0.97518103
0.00029889 0.00003442 -0.00013275
0.00237790 -0.03109646 0.02359074
-10.81484693 -5.57029494 3.18664682
-0.00002272 -0.00042568 0.00022191
-0.01620609 0.02802171 0.02580348
-10.54556311 -2.86062982 4.55591869
-0.00019860 -0.00005767 0.00078485
-0.01369016 -0.01275244 -0.00924446
4.04141113 -2.28630499 8.43860018
-0.00023590 -0.00034625 -0.00010360
-0.00041244 -0.03691984 -0.00123169
3.64777533 -4.32345981 10.46366552
0.00013658 -0.00050054 0.00011350
0.00200383 -0.00005948 -0.00656221
-34.67602984 -0.90374983 0.33808179
-0.00099445 0.00020207 0.00063427
-0.00161276 -0.00661800 0.00544972
-33.47635518 1.58753660 0.04471212
-0.00094172 0.00052539 -0.00081447
0.00929321 -0.03525156 0.00669438
13.22081540 13.15355560 -14.75459511
-0.00038533 0.00034368 0.00045572
-0.03738469 0.02400577 -0.05759579
15.97724138 12.34146974 -14.32327273
-0.00140220 -0.00039095 0.00021699
-0.02955110 0.00657323 0.01314046
-7.86127279 7.56168682 1.65739023
0.00060831 -0.00058106 -0.00029503
-0.00599294 0.00150857 0.00186386
-7.36081149 4.73568748 1.42878606
-0.00014442 0.00043770 0.00090834
-0.00471073 0.02554836 0.03338187
6.21857059 12.31023216 -7.84219046
-0.00023833 -0.00022586 -0.00040026
0.00926991 0.00056262 0.01814688
8.53184445 13.49416006 -6.22076066
-0.00027198 0.00057914 -0.00010231
-0.01063475 -0.01227782 -0.01160155
8.94148153 8.13694049 -19.96158130
0.00010238 -0.00020820 0.00047357
0.00158167 0.01090420 0.00513276
10.64102790 10.48231004 -19.01122677
-0.00021066 0.00039415 0.00043036
-0.02840380 -0.00721357 -0.00902155
24.28431915 15.93604860 -2.83073995
0.00002103 0.00011439 -0.00006363
0.00567889 -0.02741532 -0.00255438
24.39707634 18.68610661 -2.99848944
0.00100677 -0.00050085 0.00053863
-0.00561879 -0.00076956 0.00903421
1.57834908 16.77420910 -21.44444224
0.00042314 -0.00002437 0.00120781
-0.00095597 0.01117760 0.01079487
3.28308607 15.52501318 -19.46160988
-0.00093229 0.00040132 -0.00002781
-0.01713941 0.02412644 0.00450047
13.38395403 -1.97853167 -7.14721890
0.00107770 -0.00041521 -0.00051544
-0.00213130 -0.00143982 0.00179713
12.64476237 -1.02833294 -4.54366750
-0.00014345 0.00040669 -0.00043575
0.01201810 0.00307203 -0.00572761
-17.94926192 -2.12796589 3.46099618
0.00003718 -0.00102866 0.00050981
0.03817653 0.01083563 -0.01239413
-15.17156541 -3.02732398 3.19836669
-0.00023994 -0.00053350 0.00117579
0.00480868 0.00607343 0.00250957
-15.72119767 -0.58977937 19.18823635
0.00155996 0.00043238 -0.00066652
-0.00595238 -0.01376689 -0.00234796
-14.65860105 -3.29829888 19.71810731
0.00043855 -0.00072314 -0.00047601
-0.02147539 0.00604157 -0.01769109
-0.28668478 0.54199948 -5.06876510
-0.00092381 0.00035554 -0.00007838
-0.01381574 -0.01090006 -0.00127531
-0.72222311 3.49948999 -5.09858442
0.00047954 -0.00030568 0.00029396
-0.00931666 -0.00126021 0.00297696
23.91511617 -8.56435920 -9.17960684
-0.00038914 -0.00032053 0.00031098
-0.01705624 0.01483850 0.00989099
23.74138432 -5.69955167 -8.11555673
-0.00087252 0.00039545 -0.00003399
-0.00157597 -0.00950706 -0.00913648
-0.57435936 -6.08411901 5.52060571
-0.00012144 0.00045480 0.00028235
-0.00460011 -0.00170672 -0.00696397
0.88302416 -5.87198742 7.86705696
-0.00033989 0.00112329 -0.00114663
-0.00993078 -0.00286251 0.00529548
-0.31922063 -2.37132416 -19.51602173
-0.00011624 -0.00028586 0.00029665
0.03170277 -0.01593851 0.00659005
-2.83571891 -2.36057025 -20.61825275
0.00116660 -0.00013151 -0.00012118
0.00183211 0.01547609 0.01015194
2.86933494 3.00901603 -10.43113142
-0.00011615 -0.00060877 -0.00108279
-0.00200231 -0.01437985 0.00677231
1.99705957 2.01487255 -7.77232293
0.00092612 0.00054585 0.00009482
-0.01254842 0.00569909 0.02349951
-2.09922383 16.54993874 12.37027998
0.00082129 -0.00090964 -0.00043168
0.01271035 -0.01239036 -0.00519830
-2.98009957 18.78141880 13.85996318
0.00066711 0.00056846 -0.00083929
-0.00822419 -0.00269514 -0.00317640
-5.46043108 6.06191340 -11.64340661
0.00011544 -0.00077960 -0.00185028
-0.04498723 0.02041292 -0.00807823
-3.77489276 3.85246035 -12.37010191
0.00038615 -0.00005886 -0.00077054
0.00300745 -0.02915726 -0.02394865
-8.08948600 1.17374683 -7.80810549
-0.00078649 0.00054622 -0.00017225
0.00332184 0.02674795 -0.00650699
-6.14119266 2.90465062 -9.00898714
0.00047857 -0.00001351 0.00059459
0.05482552 0.01080099 -0.00580545
2.77130507 27.22171321 7.28437514
-0.00098706 -0.00036703 0.00116489
-0.00252715 0.00283022 0.01157152
1.43756409 28.99649580 9.05739322
-0.00001081 0.00030727 -0.00001537
-0.00436426 -0.00217296 0.00525407
10.40790886 -6.81909310 -0.38787314
-0.00011137 0.00028433 0.00077187
0.01466374 -0.01241009 0.01883714
8.20736098 -7.62993460 -2.07704701
-0.00040630 -0.00037890 0.00090654
-0.00798279 -0.00967134 -0.00068139
-7.35629538 -0.06244938 7.27760417
-0.00061510 -0.00003243 0.00074256
0.02262059 -0.00396725 0.00518379
-10.21541191 0.47156798 7.30355541
0.00006286 -0.00063254 0.00038690
0.02518792 0.00233366 -0.02298777
20.81876877 11.28545933 10.45251402
-0.00048512 0.00021869 -0.00040098
0.00106164 -0.00226861 -0.00516066
20.60311528 12.62870890 7.93381527
0.00116770 0.00008087 -0.00033087
0.00820580 0.03243367 -0.00855574
-1.06118033 -3.83170707 -26.97006540
-0.00070344 -0.00127561 -0.00071669
-0.02323596 0.03885503 -0.00255448
-3.31946863 -1.78387106 -26.50412422
0.00054973 -0.00017732 -0.00062533
-0.00314021 -0.00908783 0.00333364
-13.55737771 6.72404618 9.82993895
-0.00059040 -0.00051393 0.00058163
-0.00313207 -0.00621125 -0.00660278
-15.04830873 7.58573898 7.60086344
0.00080857 0.00037260 0.00117591
-0.00180702 0.00194274 -0.00163666
-11.59242873 7.37854086 -1.86394030
-0.00008910 -0.00090512 -0.00029204
-0.00221005 0.00243558 -0.01115383
-9.06589031 8.10918720 -3.31633653
-0.00069444 0.00063903 -0.00004640
-0.00357592 0.00726637 -0.00453744
-0.93595014 -16.50713769 22.40242085
-0.00061148 0.00065611 0.00028346
0.00254445 -0.02253932 -0.00218378
-3.30038534 -15.42821268 23.67267488
-0.00040338 -0.00048565 0.00064263
-0.04586362 -0.02013142 0.02359013
-3.13212985 5.91259793 -7.82640138
-0.00103830 -0.00066211 0.00075059
-0.00456980 0.00339558 0.00269341
-4.35880112 6.61599256 -5.19915281
0.00101356 0.00011117 -0.00023675
-0.00281012 0.00377944 -0.00605208
-21.74100162 29.74632890 2.93370755
0.00009808 -0.00022516 -0.00031624
-0.02741137 -0.00165819 -0.01770525
-21.27454340 31.07675893 5.51600186
-0.00023058 0.00074549 0.00052553
-0.00662429 -0.00245707 -0.00501788
7.21942315 -0.00069055 5.97255939
-0.00007142 0.00109130 -0.00024934
-0.01751956 -0.00951901 -0.03462514
6.99678641 2.32572662 7.84213232
-0.00056611 -0.00006043 -0.00105190
-0.00130739 0.00889257 -0.00536085
6.93606146 12.39046068 -12.86413049
0.00013469 -0.00122137 -0.00004125
0.01019188 0.00515691 0.00188728
5.16330161 11.90263018 -15.02473510
0.00024171 -0.00064048 0.00003805
0.01567728 -0.02991228 0.04279806
14.25729215 4.06089593 -1.95899655
0.00001580 0.00053824 -0.00001809
0.00794376 -0.00605182 -0.00459742
14.78537890 1.29517211 -1.08212667
0.00040785 0.00057951 0.00045944
0.01376045 0.02243906 -0.00996812
-3.02670701 11.89577507 -0.22186128
-0.00036626 -0.00084336 -0.00014659
-0.00932892 0.00045774 0.00585361
-5.90351818 12.85687073 0.41100794
-0.00071904 -0.00037741 -0.00046794
0.01655897 -0.00711901 -0.00201710
3.29661903 11.54318973 2.30769922
-0.00047893 -0.00108062 -0.00012060
0.00588996 -0.00194636 0.00902697
6.13276878 11.53550137 2.92387897
-0.00005512 0.00061283 -0.00066611
0.02760553 -0.01732561 0.00592246
25.28463572 -12.88591598 -8.77981945
0.00017110 -0.00064814 -0.00053864
-0.00525745 -0.01004759 0.01984914
25.86968054 -11.66683188 -11.23936171
-0.00092264 -0.00091146 0.00003588
0.02514974 0.00011630 -0.04349881
15.87579356 -2.80871308 0.59600803
-0.00029097 0.00013168 0.00021969
0.00944501 -0.00384608 -0.02221805
16.82529722 -5.23599392 -0.72372162
-0.00000655 0.00005259 -0.00005632
0.00986586 0.02909592 -0.00575928
12.37844310 8.09350238 11.52969485
0.00082531 -0.00010474 0.00072605
-0.02129463 0.00816521 0.02705743
13.94405863 9.30611294 9.38414745
0.00142891 -0.00092024 -0.00010166
-0.00663983 -0.00713519 0.01332366
0.14637145 -14.60302890 17.20767593
0.00066083 0.00061817 -0.00011933
-0.01037164 0.00524236 0.00581483
2.01587648 -12.74479604 18.87376019
0.00015054 0.00012285 0.00013457
-0.01513674 -0.01226598 -0.02059679
-3.58647634 -1.52093965 -12.44495312
0.00050783 0.00099284 0.00002380
-0.00181214 0.00131172 -0.01131054
-2.50200241 -1.82168605 -15.08534834
0.00128168 -0.00036448 -0.00021440
-0.01267919 0.01160191 0.00119404
14.54901778 -8.02568170 -10.61177620
-0.00101047 -0.00051714 -0.00036958
0.00270384 -0.00441733 0.01298740
16.31491096 -6.42027258 -9.06693385
0.00002602 -0.00050421 0.00006798
0.03720084 0.03435664 -0.00122014
7.11751493 -5.45620841 8.81537849
0.00059678 0.00061730 0.00049522
0.01982998 -0.01703437 -0.00739848
9.90758387 -6.52250279 7.98748929
-0.00065551 0.00042185 0.00031342
-0.01902806 0.00904041 0.00101710
-20.87129247 2.14561599 21.14467789
0.00052329 0.00011274 0.00080305
0.00137390 -0.00006502 -0.02219900
-22.35053022 1.13842715 23.42579414
0.00011149 -0.00052286 -0.00106483
0.01623407 0.02214902 -0.00155793
27.07362304 -2.80249277 -6.96918003
0.00041018 -0.00012495 -0.00050445
-0.00042259 -0.00721259 0.00253537
25.67045506 -1.37314600 -8.98529763
0.00024626 -0.00016316 -0.00000606
-0.00987929 0.01131873 -0.00406912
9.94879814 -15.52432217 -7.76381865
-0.00029038 0.00097937 -0.00005615
0.00101856 -0.01410678 0.00430175
9.06842664 -12.79296921 -7.48821509
-0.00075840 0.00006157 -0.00106310
0.00201930 0.00274151 -0.00563834
-5.71408286 -11.30002701 18.36001915
-0.00013835 -0.00009759 -0.00027983
-0.01419858 -0.00584102 -0.02275262
-6.72648851 -11.07448019 15.53479473
0.00006534 0.00034946 -0.00001059
0.00107408 0.00311642 0.00342993
8.90869254 1.68562703 -29.54087856
-0.00050347 0.00071092 -0.00033925
-0.01232493 -0.00300991 -0.00601909
5.97406027 2.05006279 -30.29324760
0.00037030 -0.00140257 -0.00025039
-0.00568312 -0.00731127 -0.00662445
12.66744072 15.36761938 14.66335365
-0.00149338 0.00127995 0.00022491
-0.02124172 0.00102057 0.00071532
11.56857599 16.33224402 17.22389940
-0.00038835 0.00034491 0.00011078
-0.02582250 -0.01173558 -0.03780551
29.01272963 5.31173791 -4.94219067
0.00028850 0.00023298 0.00032663
0.00933729 -0.00738340 0.00417683
27.18105608 7.06886178 -3.82352775
-0.00009330 0.00058226 0.00032123
-0.01349053 0.00654658 0.00378120
-9.94878212 5.13309361 6.40059367
0.00002462 0.00029404 -0.00015278
0.00107460 -0.00079508 0.00605839
-8.89398251 13.37753164 2.62226762
-0.00013439 0.00000851 0.00005587
0.00056137 -0.00136324 0.00160311
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09409186
0.31507415
419.82051344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3733680738 (a.u.)
total exchange computation time: 2.6186339855 s
-154.0790808006
-931.41156719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3731046920 (a.u.)
total exchange computation time: 2.6205499172 s
-154.0822016264
Anderson extrapolation: theta=1.3461455467 (1.3461455467)
-931.41181276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3726756365 (a.u.)
total exchange computation time: 2.6191887856 s
-154.0869154972
Anderson extrapolation: theta=0.0519520482 (0.0519520482)
-931.41196050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3725914207 (a.u.)
total exchange computation time: 2.6187751293 s
-154.0876285597
Anderson extrapolation: theta=1.9221774918 (1.9221774918)
-931.41196624
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3724089608 (a.u.)
total exchange computation time: 2.6212141514 s
-154.0890905859
Anderson extrapolation: theta=0.2214938243 (0.2214938243)
-931.41197236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3723633219 (a.u.)
total exchange computation time: 2.6201100349 s
-154.0893905020
Anderson extrapolation: theta=1.8830912069 (1.8830912069)
-931.41197356
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3722956001 (a.u.)
total exchange computation time: 2.6197519302 s
-154.0897611553
Anderson extrapolation: theta=0.2821630937 (0.2821630937)
-931.41197511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3722950719 (a.u.)
total exchange computation time: 2.6206750870 s
-154.0896816433
Anderson extrapolation: theta=1.3058566044 (1.3058566044)
-931.41197548
-163.253469 68.987006 97.615524
560.954836 1031.573055 -409.139034
397.701367 1100.560061 -311.523510
1210.968919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3723080089 (a.u.)
total exchange computation time: 2.6201088428 s
678.84802298
-1083.72337836
89.84631273
-389.17244991
-174.83817521
78.22462767
551.60419304
0.00000000
-931.41197578
4.05734381 -31.59624964 -2.26229370
-0.00006210 -0.00043407 -0.00017211
-0.02410916 0.00696164 -0.02095380
-11.71939263 -1.39037577 -9.44236157
-0.00034729 0.00017973 -0.00022176
-0.01661632 -0.02194889 -0.02325533
-37.52955330 2.47763457 0.20750411
0.00004941 0.00029688 -0.00018282
0.01280130 0.04167425 -0.03946563
-11.80276179 -4.18439585 4.13849646
-0.00007493 0.00010176 0.00024753
0.02912013 -0.01477559 -0.00929161
3.92507918 -4.18607979 8.61426375
-0.00023539 -0.00015006 -0.00043268
0.00000733 0.03634337 0.01800368
-32.98864239 -0.24961568 0.22571474
-0.00053651 0.00015144 0.00040275
-0.01097565 0.04420889 -0.01276174
14.25603808 12.53392671 -13.54024774
0.00013461 0.00013828 -0.00009211
0.06497644 -0.02615715 0.03948398
-7.74185621 6.11834300 2.77368203
0.00009342 0.00001710 0.00006029
0.01552579 -0.02733772 -0.02925925
7.23157574 12.07783302 -6.29332331
-0.00002864 -0.00026694 -0.00032721
0.00840050 0.01718247 -0.01222367
8.86130548 9.79448906 -19.18387078
0.00016797 -0.00040793 -0.00016892
0.02157691 -0.00276979 0.00521036
23.20660691 17.34890506 -2.50581886
0.00017608 -0.00000231 -0.00034887
0.01196747 0.01821995 -0.00587331
2.01447190 16.95326256 -19.63118471
-0.00015265 0.00013001 -0.00006219
0.01483755 -0.02607872 -0.00137098
14.02840484 -0.95062598 -5.76705275
-0.00003965 -0.00027550 0.00021154
-0.00899547 -0.01878450 0.01073847
-16.16198663 -1.47125680 3.20160227
-0.00022073 -0.00015332 0.00003760
-0.04102465 -0.02622343 0.01482409
-15.98663308 -2.37814867 18.72670135
0.00029016 -0.00022108 -0.00011414
0.02182944 0.01074776 0.01853611
0.42673501 2.15664838 -4.60544596
-0.00000693 0.00016148 0.00009290
0.02244820 0.00748700 -0.00309928
22.75269707 -7.11121711 -8.81093940
0.00014155 -0.00002794 0.00001924
0.01524297 -0.00675894 0.00077816
-0.79190219 -6.45316711 7.29565758
-0.00006822 -0.00016365 -0.00006063
0.01405153 0.01151807 -0.00654974
-1.81074329 -1.42720163 -19.33747381
-0.00013544 -0.00008803 -0.00006230
-0.02574736 -0.00156284 -0.01803385
3.03814303 1.60611960 -9.18054254
-0.00033860 0.00008514 0.00015634
0.01117517 0.02229427 -0.04513195
-3.47453684 17.73946106 12.39431235
0.00025682 0.00020821 0.00026125
-0.00382769 0.01522507 0.00258135
-3.93932632 5.25788009 -11.31899505
-0.00006207 0.00041061 -0.00000202
0.04946351 -0.00003292 0.02990236
-7.85400549 2.71629979 -8.88737386
-0.00002638 -0.00005193 -0.00005442
-0.05630426 -0.01778480 0.00486797
2.54944678 27.55008409 9.09851211
0.00018102 -0.00002048 0.00031908
-0.00222084 0.00059946 -0.00530494
9.31474939 -6.27227827 -1.68735493
-0.00029742 0.00005657 0.00010527
-0.00381874 0.01985365 -0.01052310
-8.63882573 0.68628239 6.25602897
0.00002723 -0.00011411 0.00018484
-0.04994871 -0.00007084 0.01763052
20.54867966 11.00244918 8.66296347
0.00002747 0.00013352 -0.00010658
-0.00811918 -0.03512338 0.00907210
-1.96013786 -2.22175549 -27.64201468
-0.00005784 0.00000410 -0.00006537
0.02294569 -0.03102508 -0.00231448
-14.05019106 6.14961456 8.14632090
0.00037422 -0.00002642 0.00023273
0.00866803 0.00337062 0.01062712
-9.78557497 7.21216762 -1.87155487
-0.00028448 -0.00009651 0.00051469
0.00863880 -0.00432694 -0.00001216
-1.80485630 -15.00250166 22.89264507
0.00010956 0.00032459 -0.00071934
0.02317859 0.03934120 -0.01722924
-2.79265105 6.21318113 -6.03227058
-0.00009153 -0.00024707 0.00013442
0.01969548 -0.01083184 -0.00604628
-20.55958624 29.95804297 4.25485823
-0.00031894 -0.00054145 0.00013879
0.03459005 0.01714335 0.03570263
7.84134980 0.77681233 7.45364873
0.00035132 0.00042807 0.00007747
0.02432852 0.00089522 0.04010724
5.85394668 11.00628256 -13.42511624
0.00019441 -0.00038039 -0.00017545
-0.02249198 0.02042328 -0.05960901
15.65679849 2.91054060 -1.52317600
0.00003874 0.00018939 0.00044452
-0.02445242 -0.00795355 0.01374881
-4.44111097 12.90461324 -0.77214733
0.00007553 -0.00038319 -0.00004850
-0.00778931 0.00463309 -0.00921377
4.78684328 12.62522190 2.42437429
0.00007452 0.00022070 -0.00016980
-0.04241611 0.00605294 0.00395612
24.98621854 -11.39384893 -9.73054497
-0.00025229 0.00024496 0.00038843
-0.01811682 0.00299310 0.03230169
17.02258697 -3.33442843 -0.80060434
0.00040247 0.00034328 -0.00006546
-0.02241431 -0.02944464 0.03296249
13.59300585 7.70891662 10.27853293
0.00040366 -0.00030235 -0.00015860
0.03221556 -0.00650098 -0.04539848
1.85541176 -14.00915565 17.49974395
0.00031159 0.00004818 -0.00008938
0.02855528 0.01581814 0.01453927
-3.62019366 -0.70576228 -14.11310987
0.00006127 -0.00004217 0.00035921
0.01247429 -0.01553263 0.00537879
15.03658524 -7.63361273 -8.84933759
0.00022116 -0.00024823 -0.00004431
-0.03720952 -0.04100103 -0.01494077
8.40846104 -6.83122466 9.01247295
0.00013068 0.00036675 0.00012847
-0.00601685 0.00972800 0.00772258
-21.09799711 2.48631080 22.89847355
0.00002771 0.00028721 0.00004265
-0.02226511 -0.01641843 0.02823794
25.78097422 -3.04056940 -8.25648588
0.00022741 0.00014229 -0.00002097
0.01285602 -0.01782245 0.00668697
9.94839454 -13.95741451 -8.64493171
0.00002454 -0.00018360 -0.00029219
-0.01022268 0.01574165 -0.00004788
-6.65000991 -12.19927823 16.97771592
0.00016762 0.00034430 0.00013026
0.00835839 0.00438590 0.02293679
7.37981424 2.67872067 -29.33213117
-0.00024540 -0.00042267 0.00003944
0.02077654 0.01837254 0.01774967
10.94797810 15.84932735 15.46250090
-0.00007477 0.00028449 0.00014138
0.02574626 0.00957558 0.04068749
28.86251375 6.44759645 -3.48615610
0.00016467 0.00016775 -0.00008951
0.00559907 -0.00607156 -0.00181475
5.11705734 -32.21209804 -3.61302159
-0.00040683 -0.00016336 -0.00045977
0.01032770 -0.00117859 -0.00652898
4.75345468 -31.85181235 -0.61201855
-0.00035760 -0.00053765 -0.00061016
0.01122039 -0.00050135 0.00957786
-12.42292995 -3.13186965 -9.68636502
-0.00063122 0.00030628 -0.00087321
0.01164273 0.02709749 0.00723148
-12.00405459 -0.51547426 -11.05626228
0.00031039 -0.00019428 -0.00013706
0.00024320 -0.00897875 0.01374125
-38.93509607 2.46788428 1.33203355
-0.00019686 0.00011207 -0.00012866
-0.01263514 -0.00291826 0.00415387
-37.78207426 4.00349074 -0.97644943
0.00030756 -0.00009008 -0.00003781
0.00186232 -0.02985037 0.02288400
-10.81568431 -5.57582142 3.19076621
-0.00008980 -0.00030848 0.00032889
-0.01663247 0.02934547 0.02656346
-10.54896168 -2.86188562 4.56740812
-0.00025313 -0.00010904 0.00074666
-0.01299854 -0.01239560 -0.00944769
4.03785999 -2.29263014 8.43700841
-0.00023747 -0.00049361 -0.00010899
-0.00035606 -0.03521160 -0.00140825
3.64988550 -4.33096978 10.46516699
0.00014532 -0.00050005 0.00008038
0.00227230 0.00030291 -0.00965342
-34.69099605 -0.90092153 0.34776280
-0.00099481 0.00017746 0.00065633
0.00143566 -0.00543035 0.00534862
-33.49019624 1.59433723 0.03270026
-0.00090194 0.00037591 -0.00078580
0.01018113 -0.03791726 0.00733736
13.21388981 13.15944638 -14.74952424
-0.00053625 0.00044052 0.00022340
-0.03648939 0.02340059 -0.05612517
15.95530284 12.33580689 -14.31961528
-0.00150587 -0.00036478 0.00026268
-0.02119573 0.00623982 0.00922938
-7.85233171 7.55301712 1.65302183
0.00058288 -0.00057025 -0.00028937
-0.00645874 0.00378376 0.00090827
-7.36312213 4.74303592 1.44343406
-0.00016211 0.00053472 0.00103886
-0.00394686 0.02194214 0.03050751
6.21527966 12.30686155 -7.84763825
-0.00019976 -0.00022363 -0.00032466
0.00961371 0.00052650 0.01885768
8.52743892 13.50247099 -6.22265075
-0.00031813 0.00052479 -0.00014988
-0.01195894 -0.01432995 -0.01168817
8.94306567 8.13415170 -19.95432042
0.00011038 -0.00016972 0.00049137
0.00233382 0.00792750 0.00358140
10.63699756 10.48800127 -19.00504782
-0.00032563 0.00036303 0.00039255
-0.02787500 -0.00802051 -0.00948740
24.28480865 15.93692433 -2.83177261
0.00004505 -0.00000038 -0.00007420
0.00607867 -0.02876372 -0.00262318
24.41200575 18.67857033 -2.99013315
0.00098325 -0.00050198 0.00057430
-0.00589679 0.00021303 0.00842780
1.58466684 16.77418606 -21.42599436
0.00041403 0.00002038 0.00123421
-0.00350363 0.01072655 0.00213111
3.26857659 15.53177230 -19.46188908
-0.00099600 0.00049354 -0.00000742
-0.01405000 0.02101477 0.00547970
13.40005423 -1.98480399 -7.15489536
0.00106916 -0.00041875 -0.00050365
-0.00204692 -0.00028908 0.00397039
12.64297886 -1.02213838 -4.55037921
-0.00009898 0.00041759 -0.00045649
0.00975321 0.00226212 -0.00442876
-17.94753433 -2.14306378 3.46826359
0.00019234 -0.00098211 0.00045866
0.03777307 0.01195321 -0.01264446
-15.17501709 -3.03514039 3.21608047
-0.00022069 -0.00050432 0.00118542
0.00461305 0.00821350 0.00220338
-15.69798065 -0.58371560 19.17816663
0.00153383 0.00036727 -0.00067791
-0.00683955 -0.01810408 -0.00323099
-14.65268085 -3.30896085 19.71042499
0.00035019 -0.00069724 -0.00054822
-0.02177958 0.00663600 -0.01765292
-0.30096521 0.54699860 -5.06997989
-0.00097704 0.00031356 -0.00008227
-0.01224473 -0.00964890 -0.00063093
-0.71531557 3.49486620 -5.09408380
0.00043593 -0.00030259 0.00030385
-0.01202750 0.00277149 0.00186333
23.90875639 -8.56871246 -9.17463899
-0.00045616 -0.00026011 0.00035128
-0.01575128 0.01473848 0.00983659
23.72824826 -5.69391127 -8.11634648
-0.00087544 0.00035785 -0.00007008
0.00014481 -0.00889838 -0.00853230
-0.57632195 -6.07734924 5.52462761
-0.00014233 0.00044730 0.00024963
-0.00562325 -0.00196704 -0.00905576
0.87762143 -5.85522581 7.85001984
-0.00037726 0.00111143 -0.00112104
-0.00836221 -0.00294362 0.00722871
-0.31999276 -2.37610046 -19.51137002
0.00001183 -0.00034857 0.00032497
0.03098794 -0.01475720 0.00727327
-2.81816383 -2.36206873 -20.61975943
0.00116698 -0.00007165 -0.00008525
-0.00164646 0.01382870 0.00743902
2.86753138 2.99944391 -10.44716579
-0.00012483 -0.00066879 -0.00105069
-0.00225018 -0.01500067 0.00894149
2.01056686 2.02323495 -7.77018058
0.00086851 0.00057240 0.00019824
-0.01565153 0.00729835 0.02712671
-2.08651498 16.53591452 12.36364547
0.00085974 -0.00094758 -0.00045095
0.00611078 -0.00618267 -0.00423653
-2.97034487 18.78986312 13.84727651
0.00063569 0.00055980 -0.00084692
-0.00715733 -0.00154228 -0.00055947
-5.46007797 6.05084485 -11.67140830
-0.00007282 -0.00069275 -0.00188320
-0.04716912 0.02210529 -0.00804057
-3.76900829 3.85068405 -12.38239386
0.00039891 -0.00016432 -0.00085677
0.00323784 -0.02246755 -0.01826130
-8.10118151 1.18275982 -7.81088867
-0.00077229 0.00065040 -0.00019591
0.00362803 0.02424640 -0.00507592
-6.13233407 2.90477895 -9.00024616
0.00069025 0.00002872 0.00057255
0.04879095 0.00986974 -0.00498287
2.75642175 27.21629445 7.30220308
-0.00099464 -0.00035870 0.00119856
-0.00118171 0.00124963 0.00491145
1.43726824 29.00103834 9.05732364
-0.00002524 0.00029365 0.00000733
-0.00269942 -0.00449887 0.00586041
10.40668763 -6.81520838 -0.37571783
-0.00005750 0.00023718 0.00084134
0.01170832 -0.01067214 0.01516780
8.20102189 -7.63591446 -2.06346977
-0.00043651 -0.00041524 0.00090464
-0.00680815 -0.00811874 -0.00025094
-7.36482871 -0.06305739 7.28890145
-0.00051987 -0.00004941 0.00076412
0.02399749 -0.00434573 0.00537014
-10.21369719 0.46215136 7.30865451
0.00016539 -0.00062138 0.00029146
0.02500236 0.00313179 -0.02373158
20.81152454 11.28867018 10.44634111
-0.00048011 0.00021002 -0.00041648
0.00138871 -0.00197536 -0.00242415
20.62088220 12.63091582 7.92859005
0.00120082 0.00021102 -0.00036494
0.00800878 0.03127642 -0.00812056
-1.07244390 -3.84965054 -26.98089397
-0.00079867 -0.00111160 -0.00072754
-0.02338277 0.04142584 -0.00275688
-3.31131896 -1.78680929 -26.51340200
0.00052646 -0.00021141 -0.00060332
-0.00824723 -0.00759997 0.00743967
-13.56632967 6.71614689 9.83846108
-0.00060113 -0.00054018 0.00055652
-0.00212325 -0.00663931 -0.00568687
-15.03623554 7.59138758 7.61845190
0.00079881 0.00038279 0.00116628
-0.00296973 0.00304491 -0.00307384
-11.59383302 7.36503874 -1.86866264
-0.00010318 -0.00089512 -0.00033640
-0.00467978 0.00245915 -0.01056019
-9.07641651 8.11899530 -3.31717157
-0.00071099 0.00066357 -0.00005736
-0.00452700 0.00474462 -0.00082905
-0.94504433 -16.49798676 22.40660580
-0.00059299 0.00055196 0.00026948
0.00650441 -0.02843907 -0.00465783
-3.30784140 -15.43611427 23.68303717
-0.00056623 -0.00055990 0.00072715
-0.03385588 -0.01621758 0.01778378
-3.14784444 5.90277027 -7.81505997
-0.00105623 -0.00064865 0.00075668
-0.00420398 0.00319319 0.00028676
-4.34368389 6.61777592 -5.20288954
0.00098757 0.00013043 -0.00025218
-0.00990801 0.00564724 -0.00150101
-21.74037045 29.74290075 2.92842139
-0.00001355 -0.00023079 -0.00038729
-0.02723028 -0.00109794 -0.01707396
-21.27820512 31.08786593 5.52373109
-0.00025259 0.00072595 0.00049387
-0.00414846 -0.00710342 -0.01047986
7.21781496 0.01538724 5.96775829
-0.00014012 0.00105166 -0.00038769
-0.01610966 -0.00988237 -0.03309926
6.98825475 2.32509273 7.82618955
-0.00057168 -0.00002023 -0.00107059
-0.00142265 0.01078286 -0.00378600
6.93839417 12.37229809 -12.86469144
0.00018040 -0.00119425 -0.00003098
0.01218017 0.00812112 0.00313933
5.16740760 11.89210638 -15.02285290
0.00030483 -0.00076053 0.00020982
0.01522050 -0.02885180 0.04128428
14.25777257 4.06878402 -1.95940875
0.00005142 0.00051025 -0.00003517
0.00949372 -0.00764577 -0.00376428
14.79191827 1.30455239 -1.07554046
0.00046051 0.00066550 0.00042016
0.01201608 0.01965119 -0.00925993
-3.03248678 11.88313873 -0.22388079
-0.00040315 -0.00084276 -0.00012177
-0.00872934 -0.00016402 0.00629530
-5.91379630 12.85099140 0.40392696
-0.00064771 -0.00040653 -0.00047826
0.01835711 -0.00713647 -0.00303279
3.28961552 11.52692082 2.30616685
-0.00044103 -0.00107830 -0.00008271
0.01266444 0.00308225 0.00952216
6.13278797 11.54416291 2.91406878
0.00006277 0.00053781 -0.00063987
0.03010102 -0.01939612 0.00692534
25.28704109 -12.89594595 -8.78729080
0.00014762 -0.00068390 -0.00045876
-0.00623741 -0.00745780 0.01925010
25.85661163 -11.68050023 -11.24015641
-0.00082299 -0.00090821 -0.00013889
0.02362856 0.00147603 -0.04205424
15.87171842 -2.80685574 0.59862249
-0.00024764 0.00011479 0.00012409
0.01176829 -0.00442291 -0.02457534
16.82550124 -5.23431343 -0.72474294
0.00003455 0.00017460 -0.00008029
0.01025389 0.03062840 -0.00597318
12.39017028 8.09218156 11.54141475
0.00074364 -0.00007199 0.00083036
-0.01868307 0.00786314 0.02400349
13.96528882 9.29209070 9.38303087
0.00140094 -0.00094518 -0.00004826
-0.00705127 -0.00507431 0.01281236
0.15596604 -14.59359565 17.20606414
0.00061173 0.00063646 -0.00009703
-0.01366345 0.00370934 0.00510130
2.01767073 -12.74332912 18.87514765
0.00008895 0.00007163 0.00004875
-0.01500946 -0.01280968 -0.02141436
-3.57891440 -1.50600692 -12.44494265
0.00050076 0.00099281 -0.00001334
-0.00164936 -0.00132651 -0.00687125
-2.48316577 -1.82679766 -15.08852769
0.00121894 -0.00030740 -0.00019983
-0.01803186 0.01633808 0.00593632
14.53394357 -8.03357421 -10.61692194
-0.00099471 -0.00053224 -0.00030850
0.00501145 -0.00297047 0.01691427
16.31644117 -6.42678287 -9.06595159
0.00018029 -0.00036189 0.00006099
0.03831537 0.03530841 -0.00220071
7.12707427 -5.44747089 8.82258009
0.00067569 0.00054826 0.00046480
0.01879844 -0.01676165 -0.00749365
9.89716821 -6.51589805 7.99222174
-0.00072329 0.00046029 0.00031134
-0.01415360 0.00977733 -0.00203359
-20.86340103 2.14730508 21.15604338
0.00053146 0.00011178 0.00070170
0.00262687 -0.00040685 -0.02741000
-22.34836040 1.13126294 23.40977399
0.00017882 -0.00043009 -0.00106931
0.01672299 0.02326156 -0.00063677
27.07976273 -2.80458804 -6.97666904
0.00041058 -0.00015391 -0.00049137
0.00061796 -0.00696116 0.00386580
25.67384618 -1.37524652 -8.98551325
0.00020530 -0.00011305 -0.00002384
-0.01016675 0.01320946 -0.00463441
9.94447370 -15.51006397 -7.76452912
-0.00028587 0.00090783 -0.00003117
0.00118802 -0.02091086 0.00792540
9.05711253 -12.79196164 -7.50433441
-0.00074932 0.00007325 -0.00108622
0.00242697 0.00297475 -0.00567588
-5.71659316 -11.30166981 18.35512442
-0.00019216 -0.00011732 -0.00036686
-0.01214146 -0.00382013 -0.01984805
-6.72547548 -11.06914273 15.53474104
0.00006982 0.00036161 0.00000476
0.00111797 0.00282832 0.00408073
8.90076281 1.69619854 -29.54615176
-0.00054270 0.00069234 -0.00036450
-0.00687969 -0.00608369 -0.00634112
5.97944055 2.02880018 -30.29720637
0.00034692 -0.00143049 -0.00027667
-0.00575920 -0.00635515 -0.00624265
12.64438918 15.38684994 14.66674924
-0.00156874 0.00128000 0.00022356
-0.01565027 -0.00099507 -0.00137852
11.56195951 16.33705801 17.22440259
-0.00049268 0.00029727 -0.00004192
-0.02525161 -0.01158330 -0.03693878
29.01734333 5.31500642 -4.93716322
0.00032543 0.00020068 0.00033990
0.00873892 -0.00843039 0.00231919
27.17924312 7.07779629 -3.81859350
-0.00014327 0.00060608 0.00033644
-0.01096926 0.00511130 0.00366760
-9.94840998 5.13750210 6.39831829
0.00002497 0.00029373 -0.00015058
0.00089581 -0.00094421 0.00621314
-8.89599734 13.37765694 2.62310850
-0.00013427 0.00000821 0.00005623
0.00042559 -0.00119436 0.00150766
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09413654
0.31783925
423.50486126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3809449655 (a.u.)
total exchange computation time: 2.6229169369 s
-154.1081924058
-931.41486833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3806308985 (a.u.)
total exchange computation time: 2.6196489334 s
-154.1116406173
Anderson extrapolation: theta=1.3424219096 (1.3424219096)
-931.41510428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3801230693 (a.u.)
total exchange computation time: 2.6195750237 s
-154.1168371683
Anderson extrapolation: theta=0.0503324219 (0.0503324219)
-931.41524538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3800259766 (a.u.)
total exchange computation time: 2.6210122108 s
-154.1176103052
Anderson extrapolation: theta=1.8784468996 (1.8784468996)
-931.41525058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3798170904 (a.u.)
total exchange computation time: 2.6198909283 s
-154.1191871295
Anderson extrapolation: theta=0.2134882121 (0.2134882121)
-931.41525588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3797622789 (a.u.)
total exchange computation time: 2.6190059185 s
-154.1195293129
Anderson extrapolation: theta=1.8973084591 (1.8973084591)
-931.41525687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3796739620 (a.u.)
total exchange computation time: 2.6182420254 s
-154.1200014458
Anderson extrapolation: theta=0.2838005354 (0.2838005354)
-931.41525815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3796659112 (a.u.)
total exchange computation time: 2.6204509735 s
-154.1199618561
Anderson extrapolation: theta=1.3177460861 (1.3177460861)
-931.41525847
-163.306720 69.000495 97.622989
560.954481 1031.557952 -409.135092
397.647761 1100.558447 -311.512102
1210.946914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3796687277 (a.u.)
total exchange computation time: 2.6202402115 s
678.94444685
-1083.95337091
89.84634399
-389.01682839
-174.85618153
78.35035947
551.60419304
0.00000000
-931.41525872
4.05631926 -31.60273379 -2.26495624
-0.00007496 -0.00043028 -0.00018367
-0.02589840 0.00776178 -0.02398145
-11.72466602 -1.38776446 -9.44577770
-0.00035580 0.00016803 -0.00023332
-0.01647711 -0.02353905 -0.02167328
-37.52876277 2.48224857 0.20460959
0.00005567 0.00031777 -0.00020235
0.01154753 0.03955157 -0.03648576
-11.80377348 -4.18292649 4.14217360
-0.00006020 0.00009376 0.00024270
0.02816979 -0.01633156 -0.00950348
3.92154844 -4.18819050 8.60784293
-0.00023553 -0.00013208 -0.00042263
-0.00056695 0.03357092 0.02108830
-32.99673242 -0.24717355 0.23170671
-0.00054309 0.00017428 0.00039606
-0.01459110 0.04460951 -0.01324594
14.25830783 12.53590002 -13.54147709
0.00016466 0.00012553 -0.00007167
0.05187614 -0.02342072 0.04000770
-7.74039497 6.11849405 2.77447349
0.00010126 0.00000364 0.00004640
0.01493454 -0.02500665 -0.02476463
7.23117846 12.07389515 -6.29827866
-0.00002410 -0.00025766 -0.00033358
0.00928973 0.01890126 -0.01253871
8.86390828 9.78835943 -19.18638447
0.00017859 -0.00040834 -0.00016575
0.01970452 0.00116274 0.00712818
23.20929421 17.34894070 -2.51107453
0.00018220 0.00000698 -0.00035177
0.01185490 0.01790416 -0.00540972
2.01223936 16.95511218 -19.63212289
-0.00014523 0.00011764 -0.00006077
0.01403746 -0.02205551 0.00688624
14.02777545 -0.95483092 -5.76383822
-0.00004364 -0.00028517 0.00021609
-0.00652119 -0.01883354 0.00695808
-16.16545575 -1.47365769 3.20222347
-0.00024142 -0.00016742 0.00004530
-0.03943602 -0.02862664 0.01512512
-15.98219641 -2.38142339 18.72506073
0.00030155 -0.00021467 -0.00010453
0.02244392 0.01418128 0.01885277
0.42671763 2.15909953 -4.60406438
0.00000494 0.00016382 0.00009141
0.02372909 0.00159320 -0.00269778
22.75487913 -7.11166235 -8.81064785
0.00014852 -0.00003141 0.00001949
0.01187632 -0.00673315 0.00019223
-0.79287123 -6.45557748 7.29472287
-0.00006111 -0.00015766 -0.00006399
0.01359161 0.01179960 -0.00652798
-1.81287422 -1.42852809 -19.33847793
-0.00014731 -0.00008878 -0.00007098
-0.02039251 -0.00136495 -0.01568891
3.03310706 1.60748267 -9.17837152
-0.00033221 0.00009626 0.00013195
0.01370682 0.02096005 -0.04972128
-3.47069929 17.74264301 12.39824104
0.00025615 0.00021410 0.00026157
0.00120043 0.00765832 -0.00133300
-3.94006653 5.26403916 -11.31891007
-0.00003662 0.00040855 0.00001172
0.04948369 -0.00799396 0.02354019
-7.85461844 2.71545220 -8.88817144
-0.00005325 -0.00006008 -0.00005263
-0.04817253 -0.01390461 0.00212308
2.55215346 27.54977925 9.10327785
0.00017915 -0.00001918 0.00031797
-0.00502199 0.00445229 0.00100441
9.31027338 -6.27135311 -1.68581646
-0.00029887 0.00006577 0.00010075
-0.00181434 0.01591167 -0.00704732
-8.63860990 0.68457043 6.25886962
0.00000162 -0.00011426 0.00019402
-0.04966939 -0.00049077 0.01806770
20.54906032 11.00431655 8.66139981
0.00002326 0.00011593 -0.00010290
-0.00825148 -0.03330822 0.00521233
-1.96091694 -2.22181364 -27.64300418
-0.00004473 -0.00001255 -0.00006749
0.02802351 -0.03374317 -0.00590786
-14.04454438 6.14923126 8.14985284
0.00037865 -0.00002481 0.00023820
0.00855727 0.00288346 0.01063827
-9.78980879 7.21070335 -1.86383457
-0.00027919 -0.00009805 0.00051358
0.01192201 -0.00167523 -0.00428335
-1.80312346 -14.99748107 22.88178855
0.00011733 0.00034510 -0.00072601
0.00701703 0.04043393 -0.00870302
-2.79394808 6.20943337 -6.03027755
-0.00007971 -0.00025299 0.00013078
0.02626912 -0.01219167 -0.00814088
-20.56423693 29.94998739 4.25707776
-0.00030205 -0.00053171 0.00015803
0.03108563 0.02073853 0.03913855
7.84671347 0.78323685 7.45496549
0.00036328 0.00042799 0.00009698
0.02216595 -0.00121278 0.03575682
5.85677604 11.00065555 -13.42797787
0.00018256 -0.00037098 -0.00020567
-0.02359549 0.01617155 -0.05791098
15.65728523 2.91335083 -1.51645523
0.00002640 0.00018652 0.00045112
-0.02351764 -0.00321315 0.01191834
-4.44000808 12.89888323 -0.77291032
0.00007097 -0.00038060 -0.00005308
-0.00995399 0.00543252 -0.00860279
4.78779747 12.62855573 2.42184250
0.00005079 0.00022293 -0.00016799
-0.04985277 0.00261802 0.00308934
24.98236423 -11.39016293 -9.72459394
-0.00026063 0.00024530 0.00040437
-0.01431134 -0.00168117 0.02969497
17.02853755 -3.32939284 -0.80145912
0.00039040 0.00032802 -0.00004804
-0.02451762 -0.02988924 0.03478009
13.59918500 7.70435622 10.27597889
0.00041929 -0.00030614 -0.00018078
0.02857175 -0.00821688 -0.04088263
1.86019581 -14.00837194 17.49845937
0.00032694 0.00005666 -0.00008162
0.03111731 0.01717772 0.01561349
-3.61922645 -0.70645479 -14.10770091
0.00006882 -0.00005045 0.00035967
0.01686200 -0.01666732 -0.00359248
15.03975911 -7.63749433 -8.85005985
0.00020156 -0.00026952 -0.00005265
-0.03899891 -0.04179809 -0.01747802
8.41039801 -6.82568593 9.01442973
0.00012664 0.00037131 0.00013329
-0.00967814 0.00801839 0.01102700
-21.09766740 2.49055566 22.89922221
0.00001596 0.00027864 0.00005805
-0.02339714 -0.01692054 0.03166566
25.78443493 -3.03850381 -8.25677461
0.00023375 0.00013265 -0.00001780
0.01181364 -0.01966998 0.00562269
9.94872316 -13.96010782 -8.64931473
0.00001922 -0.00017395 -0.00029305
-0.01045594 0.02179930 -0.00330578
-6.64746344 -12.19409677 16.97975835
0.00017124 0.00034606 0.00014096
0.00573071 0.00245651 0.01867578
7.37621342 2.67245153 -29.33147116
-0.00023623 -0.00041265 0.00004853
0.01487783 0.02058448 0.01760668
10.94695583 15.85363160 15.46477854
-0.00006343 0.00028980 0.00016256
0.01836001 0.01107104 0.04165735
28.86500545 6.45008922 -3.48750580
0.00016699 0.00016526 -0.00009002
0.00339271 -0.00359120 -0.00015905
5.11127139 -32.21458456 -3.62011827
-0.00036375 -0.00016862 -0.00048659
0.01075807 -0.00139393 -0.00659802
4.74843457 -31.85989243 -0.62087739
-0.00030864 -0.00054088 -0.00056455
0.01274420 -0.00108192 0.01274756
-12.43204145 -3.12644514 -9.69924161
-0.00058318 0.00041682 -0.00084251
0.01187109 0.02701463 0.00779587
-11.99939129 -0.51866355 -11.05789713
0.00031066 -0.00022727 -0.00008543
-0.00011153 -0.00717135 0.01153144
-38.93843622 2.46947596 1.33023089
-0.00024510 0.00010044 -0.00011476
-0.01097689 -0.00277490 0.00265347
-37.77740385 4.00122478 -0.97631535
0.00031393 -0.00020808 0.00005314
0.00125565 -0.02791045 0.02163625
-10.81754104 -5.57954942 3.19651358
-0.00015783 -0.00018714 0.00043804
-0.01666653 0.03005123 0.02686303
-10.55315688 -2.86390110 4.57831854
-0.00030413 -0.00015815 0.00070797
-0.01196718 -0.01164434 -0.00949296
4.03428702 -2.30111327 8.43533034
-0.00023869 -0.00063200 -0.00011528
-0.00024067 -0.03253151 -0.00166740
3.65213492 -4.33846119 10.46607684
0.00015503 -0.00049811 0.00003532
0.00248219 0.00064656 -0.01240393
-34.70587429 -0.89842603 0.35777161
-0.00098269 0.00015765 0.00067790
0.00449800 -0.00426484 0.00521104
-33.50341334 1.59881405 0.02113808
-0.00085898 0.00021757 -0.00075466
0.01084742 -0.03959465 0.00790514
13.20472792 13.16677129 -14.74789306
-0.00067876 0.00053206 0.00000232
-0.03326937 0.02140712 -0.05209403
15.93206531 12.33052646 -14.31539220
-0.00157244 -0.00034055 0.00029092
-0.01139344 0.00562025 0.00459430
-7.84378646 7.54457931 1.64870910
0.00055559 -0.00055034 -0.00028752
-0.00689819 0.00596316 -0.00000452
-7.36567466 4.75172912 1.45995176
-0.00017632 0.00061538 0.00115614
-0.00301108 0.01753870 0.02690433
6.21257791 12.30352320 -7.85193032
-0.00016050 -0.00022148 -0.00024717
0.00960227 0.00052598 0.01907439
8.52230048 13.50990368 -6.22525717
-0.00036906 0.00046267 -0.00019765
-0.01297153 -0.01607523 -0.01169589
8.94479283 8.13184875 -19.94684005
0.00012141 -0.00014410 0.00050257
0.00306546 0.00461651 0.00189851
10.63125886 10.49320096 -18.99945031
-0.00043718 0.00032916 0.00035303
-0.02672520 -0.00855993 -0.00985628
24.28567069 15.93603725 -2.83296603
0.00006972 -0.00011911 -0.00008474
0.00599612 -0.02935391 -0.00253723
24.42657378 18.67104712 -2.98126035
0.00095887 -0.00049908 0.00060740
-0.00603447 0.00120559 0.00777192
1.59076988 16.77482042 -21.40741586
0.00039422 0.00006303 0.00122362
-0.00619048 0.01015140 -0.00731460
3.25320603 15.53981933 -19.46183246
-0.00104602 0.00057168 0.00001714
-0.01043540 0.01723670 0.00654132
13.41602897 -1.99109403 -7.16232849
0.00106091 -0.00041751 -0.00048301
-0.00199404 0.00089327 0.00613626
12.64179309 -1.01580519 -4.55736233
-0.00006437 0.00042518 -0.00047144
0.00718583 0.00145377 -0.00288855
-17.94349178 -2.15742909 3.47475607
0.00034393 -0.00093163 0.00040681
0.03643210 0.01275460 -0.01273908
-15.17818605 -3.04245344 3.23392929
-0.00020212 -0.00046656 0.00119369
0.00447480 0.01026924 0.00184482
-15.67518280 -0.57876136 19.16789890
0.00150416 0.00028561 -0.00069256
-0.00768519 -0.02186732 -0.00393901
-14.64809544 -3.31921613 19.70166080
0.00026159 -0.00066955 -0.00061951
-0.02159042 0.00692050 -0.01724770
-0.31599607 0.55140638 -5.07123335
-0.00102338 0.00027744 -0.00008327
-0.01043695 -0.00803272 0.00014512
-0.70914515 3.49041226 -5.08946899
0.00038139 -0.00028307 0.00030925
-0.01467225 0.00678649 0.00077938
23.90143128 -8.57216245 -9.16906830
-0.00051715 -0.00020111 0.00039108
-0.01410003 0.01414123 0.00964565
23.71512107 -5.68881621 -8.11765915
-0.00087112 0.00032322 -0.00010344
0.00196886 -0.00805133 -0.00779662
-0.57862918 -6.07070003 5.52809451
-0.00016736 0.00043866 0.00020880
-0.00662817 -0.00226183 -0.01092784
0.87170622 -5.83864461 7.83342575
-0.00040801 0.00109934 -0.00108763
-0.00669001 -0.00297400 0.00912428
-0.31886575 -2.38178117 -19.50627256
0.00013459 -0.00040508 0.00035621
0.02910167 -0.01290617 0.00802019
-2.80070965 -2.36271969 -20.62081020
0.00115297 -0.00001910 -0.00006108
-0.00520997 0.01189403 0.00439211
2.86558992 2.98895246 -10.46265216
-0.00013462 -0.00073053 -0.00101032
-0.00253947 -0.01522549 0.01082304
2.02311494 2.03204464 -7.76637573
0.00079976 0.00060505 0.00031468
-0.01800256 0.00868419 0.02986913
-2.07343162 16.52151138 12.35675133
0.00087184 -0.00096046 -0.00046609
-0.00018555 -0.00012094 -0.00316978
-2.96102883 18.79821291 13.83455556
0.00060885 0.00055613 -0.00084365
-0.00598320 -0.00025835 0.00215858
-5.46261568 6.04113104 -11.69990275
-0.00026530 -0.00060155 -0.00191496
-0.04704902 0.02253510 -0.00750412
-3.76292538 3.84753079 -12.39580498
0.00041229 -0.00024145 -0.00091890
0.00330933 -0.01528791 -0.01215262
-8.11265467 1.19325877 -7.81398293
-0.00075707 0.00074319 -0.00021298
0.00382164 0.02117770 -0.00327948
-6.12048527 2.90551216 -8.99181055
0.00087268 0.00006663 0.00055398
0.04051227 0.00868990 -0.00410938
2.74146601 27.21095228 7.32033202
-0.00099688 -0.00035707 0.00120416
0.00008430 -0.00045242 -0.00217257
1.43680695 29.00530515 9.05761323
-0.00003302 0.00027075 0.00003250
-0.00110850 -0.00670633 0.00645730
10.40618395 -6.81197771 -0.36263295
-0.00001642 0.00019743 0.00089482
0.00839948 -0.00878732 0.01101301
8.19426556 -7.64239189 -2.04990790
-0.00046140 -0.00044456 0.00090460
-0.00537399 -0.00623335 0.00023404
-7.37189133 -0.06393175 7.30052785
-0.00042033 -0.00006719 0.00078545
0.02472620 -0.00435472 0.00507134
-10.21045016 0.45292667 7.31229919
0.00026562 -0.00060722 0.00019411
0.02406062 0.00379748 -0.02392248
20.80436542 11.29175997 10.44001963
-0.00047376 0.00020259 -0.00042051
0.00172068 -0.00166053 0.00045146
20.63913994 12.63503956 7.92286716
0.00123297 0.00033398 -0.00039607
0.00772722 0.02890997 -0.00711797
-1.08514052 -3.86505517 -26.99189151
-0.00089365 -0.00093855 -0.00073882
-0.02310697 0.04328320 -0.00276747
-3.30367473 -1.79021329 -26.52222383
0.00048245 -0.00023938 -0.00056472
-0.01329983 -0.00609228 0.01145424
-13.57541175 6.70784071 9.84663469
-0.00060770 -0.00056807 0.00053554
-0.00108820 -0.00701226 -0.00458390
-15.02434434 7.59722278 7.63585197
0.00078459 0.00039715 0.00115099
-0.00399169 0.00398383 -0.00441210
-11.59552411 7.35168734 -1.87403218
-0.00012688 -0.00088517 -0.00037834
-0.00692103 0.00240940 -0.00997383
-9.08722016 8.12909417 -3.31805742
-0.00073120 0.00067784 -0.00005329
-0.00536174 0.00224274 0.00282161
-0.95373990 -16.49057876 22.41050529
-0.00055913 0.00042493 0.00024602
0.01006986 -0.03374586 -0.00682803
-3.31737236 -15.44500978 23.69448936
-0.00067888 -0.00061749 0.00078678
-0.02128392 -0.01197193 0.01140432
-3.16381669 5.89313831 -7.80370098
-0.00107263 -0.00063609 0.00075288
-0.00382596 0.00295873 -0.00214793
-4.32917388 6.61990538 -5.20671827
0.00093261 0.00015756 -0.00024887
-0.01699523 0.00763220 0.00312393
-21.74140813 29.73940531 2.92208884
-0.00012269 -0.00023386 -0.00045391
-0.02619355 -0.00040858 -0.01553895
-21.28212108 31.09853758 5.53081806
-0.00026506 0.00068821 0.00044111
-0.00195388 -0.01137172 -0.01534642
7.21521948 0.03085937 5.96092865
-0.00020194 0.00101173 -0.00051725
-0.01414916 -0.00966438 -0.03031896
6.97963591 2.32511967 7.81001475
-0.00057738 0.00002697 -0.00108298
-0.00136464 0.01232057 -0.00228332
6.94147335 12.35463322 -12.86505999
0.00023382 -0.00115560 -0.00001579
0.01397301 0.01079983 0.00429975
5.17244639 11.87981437 -15.01844054
0.00036511 -0.00087507 0.00037320
0.01428809 -0.02721676 0.03869344
14.25883483 4.07620353 -1.96005165
0.00009288 0.00047618 -0.00004893
0.01079892 -0.00903572 -0.00297247
14.79919406 1.31513702 -1.06952176
0.00050530 0.00073863 0.00038420
0.00991079 0.01614785 -0.00834419
-3.03880153 11.87049233 -0.22551449
-0.00043739 -0.00084479 -0.00009521
-0.00803270 -0.00083278 0.00670995
-5.92294938 12.84467470 0.39666011
-0.00056966 -0.00043564 -0.00049232
0.01984814 -0.00711312 -0.00385089
3.28338817 11.51084080 2.30521806
-0.00037711 -0.00105642 -0.00004295
0.01862309 0.00762746 0.00993910
6.13465193 11.55163573 2.90468301
0.00018882 0.00045596 -0.00061034
0.03159948 -0.02067319 0.00752900
25.28906418 -12.90643298 -8.79358239
0.00012007 -0.00070818 -0.00038197
-0.00724576 -0.00442973 0.01834144
25.84499081 -11.69407812 -11.24352846
-0.00073137 -0.00089880 -0.00030413
0.02121963 0.00312862 -0.03883081
15.86836450 -2.80526946 0.59973082
-0.00019580 0.00009602 0.00002012
0.01360419 -0.00476184 -0.02632185
16.82633369 -5.23075585 -0.72613033
0.00007703 0.00030121 -0.00010505
0.01053941 0.03134688 -0.00614482
12.40075243 8.09134264 11.55460573
0.00067423 -0.00004114 0.00092039
-0.01529782 0.00723923 0.02006636
13.98608686 9.27775748 9.38269952
0.00137170 -0.00096096 0.00000251
-0.00726252 -0.00264895 0.01204393
0.16472326 -14.58393507 17.20476498
0.00054994 0.00064870 -0.00007768
-0.01658094 0.00228084 0.00437328
2.01854511 -12.74264725 18.87522271
0.00002817 0.00001923 -0.00003927
-0.01474251 -0.01283748 -0.02167083
-3.57145354 -1.49115548 -12.44535329
0.00049446 0.00098181 -0.00003157
-0.00143508 -0.00405767 -0.00205245
-2.46543425 -1.83090797 -15.09134323
0.00113567 -0.00023245 -0.00016717
-0.02272908 0.02035001 0.01005108
14.51917650 -8.04164877 -10.62103108
-0.00096971 -0.00054161 -0.00023257
0.00722801 -0.00162032 0.02024968
16.32031959 -6.43112925 -9.06510420
0.00033605 -0.00021852 0.00005041
0.03793180 0.03487278 -0.00297786
7.13778570 -5.43976062 8.82932244
0.00074948 0.00048121 0.00043403
0.01732230 -0.01605816 -0.00756831
9.88588514 -6.50869411 7.99682955
-0.00077031 0.00050178 0.00029627
-0.00886460 0.01053493 -0.00534571
-20.85534861 2.14896924 21.16572901
0.00054454 0.00010973 0.00058098
0.00377278 -0.00059622 -0.03168372
-22.34516569 1.12552434 23.39371483
0.00024727 -0.00033374 -0.00106974
0.01678530 0.02390210 0.00042737
27.08594030 -2.80710993 -6.98392114
0.00041519 -0.00018176 -0.00047297
0.00163996 -0.00667473 0.00514324
25.67661421 -1.37653747 -8.98601290
0.00016333 -0.00005612 -0.00004348
-0.01037924 0.01466009 -0.00497699
9.94022207 -15.49708732 -7.76475388
-0.00028079 0.00080970 0.00000822
0.00129820 -0.02712567 0.01135707
9.04594716 -12.79077175 -7.52080159
-0.00073861 0.00008588 -0.00110934
0.00281326 0.00320875 -0.00564554
-5.71984758 -11.30354674 18.34901327
-0.00023675 -0.00012812 -0.00044075
-0.00968636 -0.00146596 -0.01631943
-6.72439393 -11.06363194 15.53493744
0.00007444 0.00037254 0.00002269
0.00114140 0.00252276 0.00469545
8.89241146 1.70639721 -29.55181357
-0.00055903 0.00066106 -0.00039117
-0.00111255 -0.00922624 -0.00671237
5.98446788 2.00714808 -30.30154773
0.00032392 -0.00145405 -0.00030082
-0.00550072 -0.00517805 -0.00557950
12.62037848 15.40601952 14.67006034
-0.00161945 0.00127154 0.00021271
-0.00917162 -0.00314957 -0.00393298
11.55379546 16.34116211 17.22264195
-0.00059390 0.00025083 -0.00018902
-0.02429555 -0.01114902 -0.03506825
29.02249259 5.31775827 -4.93199363
0.00035979 0.00016422 0.00034568
0.00807844 -0.00941469 0.00051059
27.17675790 7.08704405 -3.81343448
-0.00018226 0.00062368 0.00035117
-0.00811723 0.00350508 0.00354063
-9.94803303 5.14190552 6.39607627
0.00002526 0.00029337 -0.00014833
0.00071381 -0.00108540 0.00637766
-8.89801069 13.37777808 2.62395464
-0.00013419 0.00000795 0.00005658
0.00030500 -0.00105033 0.00145416
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09418872
0.32107000
427.80968064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3886445882 (a.u.)
total exchange computation time: 2.6219460964 s
-154.1387558900
-931.41810864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3882852066 (a.u.)
total exchange computation time: 2.6209781170 s
-154.1424970314
Anderson extrapolation: theta=1.3437558794 (1.3437558794)
-931.41833493
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3877066409 (a.u.)
total exchange computation time: 2.6207649708 s
-154.1481397666
Anderson extrapolation: theta=0.0502500096 (0.0502500096)
-931.41847038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3875990898 (a.u.)
total exchange computation time: 2.6198589802 s
-154.1489670379
Anderson extrapolation: theta=1.8772188815 (1.8772188815)
-931.41847534
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3873682758 (a.u.)
total exchange computation time: 2.6175661087 s
-154.1506548943
Anderson extrapolation: theta=0.2113642785 (0.2113642785)
-931.41848039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3873077116 (a.u.)
total exchange computation time: 2.6213219166 s
-154.1510237096
Anderson extrapolation: theta=1.8972375371 (1.8972375371)
-931.41848132
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3872083767 (a.u.)
total exchange computation time: 2.6205630302 s
-154.1515462590
Anderson extrapolation: theta=0.2833820073 (0.2833820073)
-931.41848253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3871973614 (a.u.)
total exchange computation time: 2.6190991402 s
-154.1515195551
Anderson extrapolation: theta=1.3215874577 (1.3215874577)
-931.41848283
-163.361884 69.019022 97.624222
560.952758 1031.542950 -409.132327
397.590874 1100.561972 -311.508106
1210.930410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3871965358 (a.u.)
total exchange computation time: 2.6175727844 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3871965358 (a.u.)
total exchange computation time: 2.6203558445 s
[qbox] save md116.xml
SampleWriter: write time: 1.235 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1231.66 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: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1341914548
ExchangeOperator: bisection time: 1.578 s
total exchange = -52.3871965358 (a.u.)
total exchange computation time: 2.6153731346 s
679.04431723
-1084.18915671
89.84539685
-388.85709561
-174.87474829
78.47962348
551.60419304
0.00000000
-931.41848307
4.05509492 -31.60915805 -2.26780379
-0.00008862 -0.00042613 -0.00019672
-0.02721427 0.00836959 -0.02677092
-11.73006652 -1.38533474 -9.44936104
-0.00036415 0.00015566 -0.00024393
-0.01599499 -0.02458700 -0.01959032
-37.52788316 2.48716770 0.20143359
0.00006121 0.00033738 -0.00022012
0.00999486 0.03669186 -0.03262185
-11.80456785 -4.18158312 4.14577742
-0.00004614 0.00008502 0.00023783
0.02649772 -0.01762799 -0.00944040
3.91801331 -4.19004223 8.60158481
-0.00023597 -0.00011577 -0.00041108
-0.00114200 0.02986459 0.02383265
-33.00493502 -0.24438728 0.23759649
-0.00055144 0.00019709 0.00038915
-0.01787750 0.04409229 -0.01360343
14.26097778 12.53769264 -13.54239779
0.00018710 0.00011457 -0.00005133
0.03540279 -0.01921509 0.03908541
-7.73881853 6.11845217 2.77507389
0.00010872 -0.00000836 0.00003499
0.01410511 -0.02165804 -0.01959297
7.23085286 12.07010309 -6.30333074
-0.00001909 -0.00024760 -0.00034001
0.01018505 0.02024682 -0.01244495
8.86666309 9.78223877 -19.18884317
0.00018808 -0.00040674 -0.00016159
0.01721742 0.00508421 0.00903526
23.21207297 17.34911448 -2.51637194
0.00018837 0.00001590 -0.00035444
0.01213911 0.01678684 -0.00497878
2.01011513 16.95679164 -19.63300795
-0.00013833 0.00010752 -0.00005500
0.01278899 -0.01728995 0.01555425
14.02709575 -0.95918116 -5.76057000
-0.00004627 -0.00029487 0.00021868
-0.00373373 -0.01887221 0.00308788
-16.16922911 -1.47627944 3.20296136
-0.00026107 -0.00018264 0.00005313
-0.03698290 -0.03054690 0.01532868
-15.97758660 -2.38458871 18.72356556
0.00031311 -0.00020657 -0.00009489
0.02251821 0.01730794 0.01863489
0.42688330 2.16156296 -4.60270362
0.00001738 0.00016310 0.00009007
0.02462745 -0.00438833 -0.00251111
22.75715281 -7.11215953 -8.81035481
0.00015366 -0.00003479 0.00001943
0.00807522 -0.00640390 -0.00039718
-0.79373542 -6.45789683 7.29373780
-0.00005426 -0.00015152 -0.00006740
0.01304486 0.01206344 -0.00671142
-1.81516246 -1.42986509 -19.33960309
-0.00015615 -0.00008952 -0.00007837
-0.01398329 -0.00150415 -0.01305842
3.02817684 1.60900745 -9.17658408
-0.00032472 0.00010667 0.00010558
0.01539937 0.01950046 -0.05282684
-3.46685248 17.74588404 12.40215945
0.00025791 0.00021614 0.00025986
0.00564286 0.00028584 -0.00532889
-3.94042499 5.27013656 -11.31864348
-0.00001174 0.00040268 0.00002201
0.04727971 -0.01483205 0.01646586
-7.85560302 2.71449734 -8.88895264
-0.00007550 -0.00006606 -0.00005233
-0.03833844 -0.00932586 -0.00098213
2.55482140 27.54950875 9.10805134
0.00017591 -0.00001592 0.00032016
-0.00757935 0.00819822 0.00748197
9.30578336 -6.27030520 -1.68433235
-0.00029928 0.00007285 0.00009809
0.00019647 0.01163085 -0.00328890
-8.63877726 0.68285468 6.26184966
-0.00002349 -0.00011468 0.00020341
-0.04797749 -0.00114301 0.01845357
20.54937732 11.00592697 8.65987636
0.00001901 0.00009953 -0.00010136
-0.00824933 -0.03043867 0.00080876
-1.96147983 -2.22213210 -27.64403925
-0.00002921 -0.00003041 -0.00007143
0.03235265 -0.03567704 -0.00942411
-14.03883168 6.14887020 8.15346686
0.00038297 -0.00002342 0.00024360
0.00825217 0.00254784 0.01036980
-9.79395064 7.20922615 -1.85614732
-0.00027235 -0.00009823 0.00051033
0.01468975 0.00096040 -0.00838053
-1.80133649 -14.99214854 22.87086488
0.00011701 0.00036590 -0.00072836
-0.00824849 0.04042564 -0.00043770
-2.79504246 6.20559155 -6.02834732
-0.00006460 -0.00025961 0.00012608
0.03248762 -0.01358516 -0.01013184
-20.56864781 29.94209180 4.25959922
-0.00028710 -0.00052026 0.00017866
0.02706137 0.02378311 0.04107053
7.85224814 0.78965201 7.45655809
0.00037393 0.00042681 0.00011399
0.01927516 -0.00339127 0.03040510
5.85942337 10.99515330 -13.43128626
0.00017034 -0.00036380 -0.00023469
-0.02391137 0.01174975 -0.05494500
15.65759053 2.91613626 -1.50964253
0.00001471 0.00018620 0.00045673
-0.02194726 0.00195186 0.00993310
-4.43898198 12.89319514 -0.77373967
0.00006537 -0.00037761 -0.00005739
-0.01182178 0.00620768 -0.00817310
4.78836706 12.63190975 2.41933454
0.00002377 0.00022330 -0.00016650
-0.05524560 -0.00116319 0.00270558
24.97839951 -11.38648991 -9.71841381
-0.00026683 0.00024309 0.00041865
-0.00978911 -0.00691463 0.02582225
17.03429898 -3.32458784 -0.80204558
0.00037740 0.00031268 -0.00002986
-0.02605087 -0.02974716 0.03590482
13.60558456 7.69973243 10.27310944
0.00043287 -0.00031082 -0.00020041
0.02421645 -0.00998280 -0.03544475
1.86521992 -14.00745571 17.49729524
0.00034343 0.00006567 -0.00007347
0.03300592 0.01785422 0.01610380
-3.61812915 -0.70727588 -14.10231966
0.00007842 -0.00005912 0.00035563
0.02047291 -0.01702869 -0.01214290
15.04263212 -7.64169840 -8.85091695
0.00018147 -0.00029084 -0.00006217
-0.03911745 -0.04110624 -0.01956433
8.41226031 -6.82008535 9.01647158
0.00012078 0.00037488 0.00013985
-0.01313442 0.00586113 0.01447555
-21.09751820 2.49466999 22.90021516
0.00000379 0.00026989 0.00007487
-0.02394215 -0.01711766 0.03372926
25.78798679 -3.03658997 -8.25701997
0.00023956 0.00012218 -0.00001523
0.01076015 -0.02102766 0.00439597
9.94897111 -13.96263295 -8.65372326
0.00001381 -0.00016143 -0.00029551
-0.01057836 0.02689624 -0.00624530
-6.64487276 -12.18889637 16.98194486
0.00017342 0.00034674 0.00014933
0.00274675 0.00018002 0.01384622
7.37272737 2.66634120 -29.33067531
-0.00023020 -0.00040156 0.00005749
0.00856631 0.02254288 0.01723562
10.94607520 15.85802125 15.46737756
-0.00005619 0.00029584 0.00018408
0.00978485 0.01242169 0.04203959
28.86752333 6.45255429 -3.48885674
0.00016813 0.00016407 -0.00008970
0.00105001 -0.00105753 0.00140679
5.10614476 -32.21715652 -3.62761932
-0.00031941 -0.00017449 -0.00051315
0.01094685 -0.00148126 -0.00640296
4.74419550 -31.86803882 -0.62895497
-0.00025401 -0.00054630 -0.00050697
0.01399869 -0.00156807 0.01543726
-12.44042541 -3.11936501 -9.71164042
-0.00053487 0.00052547 -0.00080971
0.01177817 0.02617001 0.00826060
-11.99473483 -0.52229234 -11.05882527
0.00030942 -0.00025242 -0.00004367
-0.00049292 -0.00513920 0.00891327
-38.94244911 2.47089758 1.32859086
-0.00028580 0.00008942 -0.00010756
-0.00894583 -0.00262154 0.00086914
-37.77265647 3.99724829 -0.97485528
0.00031763 -0.00031670 0.00013784
0.00055770 -0.02525667 0.01982695
-10.82041919 -5.58143571 3.20390727
-0.00022522 -0.00006417 0.00054748
-0.01632039 0.03014496 0.02671228
-10.55808551 -2.86663021 4.58864717
-0.00035026 -0.00020343 0.00066942
-0.01061353 -0.01051742 -0.00937763
4.03069931 -2.31159014 8.43355007
-0.00023931 -0.00075747 -0.00012278
-0.00006534 -0.02888458 -0.00200475
3.65453646 -4.34591298 10.46622650
0.00016547 -0.00049482 -0.00002017
0.00262952 0.00096346 -0.01475932
-34.72047685 -0.89619192 0.36809978
-0.00095825 0.00014248 0.00069885
0.00746785 -0.00316386 0.00504508
-33.51596564 1.60086426 0.01006038
-0.00081375 0.00005437 -0.00072141
0.01129096 -0.04028960 0.00837314
13.19352708 13.17540816 -14.74945452
-0.00080398 0.00061301 -0.00019797
-0.02802770 0.01821833 -0.04594922
15.90812951 12.32559047 -14.31088755
-0.00159624 -0.00031946 0.00029879
-0.00025535 0.00470039 -0.00074163
-7.83566398 7.53650697 1.64439609
0.00052658 -0.00052186 -0.00028923
-0.00730509 0.00797727 -0.00082791
-7.36841172 4.76149719 1.47811832
-0.00018632 0.00067633 0.00125715
-0.00188479 0.01229819 0.02253883
6.21046465 12.30021709 -7.85505340
-0.00012201 -0.00021926 -0.00016980
0.00923850 0.00056220 0.01880050
8.51636706 13.51635119 -6.22858038
-0.00042348 0.00039410 -0.00024529
-0.01366613 -0.01749065 -0.01162080
8.94670786 8.12982872 -19.93924333
0.00013537 -0.00013247 0.00050673
0.00377076 0.00107736 0.00013856
10.62388228 10.49787604 -18.99445686
-0.00054276 0.00029366 0.00031223
-0.02495831 -0.00881772 -0.01011855
24.28690022 15.93335118 -2.83431495
0.00009305 -0.00023864 -0.00009463
0.00542319 -0.02916030 -0.00230213
24.44077197 18.66359778 -2.97191124
0.00093421 -0.00049216 0.00063774
-0.00603871 0.00218435 0.00708024
1.59649354 16.77607691 -21.38928565
0.00036331 0.00010314 0.00117337
-0.00894367 0.00948356 -0.01728620
3.23719593 15.54892273 -19.46137494
-0.00108026 0.00063307 0.00004617
-0.00632673 0.01281242 0.00767087
13.43188151 -1.99732933 -7.16938555
0.00105276 -0.00041149 -0.00045366
-0.00199656 0.00205513 0.00822980
12.64104771 -1.00938290 -4.56452249
-0.00004075 0.00042950 -0.00047972
0.00437741 0.00066178 -0.00116515
-17.93721644 -2.17101273 3.48046782
0.00048814 -0.00087858 0.00035490
0.03416184 0.01321572 -0.01267055
-15.18108076 -3.04913712 3.25189117
-0.00018396 -0.00042068 0.00120040
0.00441597 0.01218768 0.00143776
-15.65285595 -0.57514729 19.15738976
0.00147117 0.00018988 -0.00070974
-0.00846025 -0.02499302 -0.00446874
-14.64483323 -3.32904727 19.69183956
0.00017475 -0.00064134 -0.00068844
-0.02091501 0.00688790 -0.01649069
-0.33166658 0.55532186 -5.07247791
-0.00106192 0.00024848 -0.00008088
-0.00842985 -0.00614428 0.00102297
-0.70387394 3.48637424 -5.08480642
0.00031642 -0.00024749 0.00031039
-0.01713077 0.01062546 -0.00022001
23.89324203 -8.57474578 -9.16290647
-0.00057071 -0.00014555 0.00042985
-0.01212208 0.01305662 0.00932813
23.70211455 -5.68421459 -8.11944964
-0.00085920 0.00029248 -0.00013356
0.00386578 -0.00699944 -0.00694989
-0.58134262 -6.06418943 5.53089169
-0.00019644 0.00042873 0.00016091
-0.00760757 -0.00259988 -0.01251705
0.86538100 -5.82224567 7.81739085
-0.00043183 0.00108721 -0.00104663
-0.00496552 -0.00296476 0.01094837
-0.31595520 -2.38825285 -19.50068357
0.00024752 -0.00045286 0.00039056
0.02618166 -0.01048096 0.00879034
-2.78357477 -2.36264172 -20.62159180
0.00112439 0.00002505 -0.00004991
-0.00877912 0.00971931 0.00107750
2.86349282 2.97752790 -10.47747524
-0.00014566 -0.00079238 -0.00096291
-0.00286450 -0.01504839 0.01238144
2.03455970 2.04138656 -7.76074032
0.00072319 0.00064274 0.00044006
-0.01947781 0.00976462 0.03150775
-2.06035963 16.50710083 12.34966292
0.00085926 -0.00094926 -0.00047670
-0.00597351 0.00559957 -0.00202582
-2.95207947 18.80654688 13.82196690
0.00058695 0.00055787 -0.00082922
-0.00473345 0.00111226 0.00490847
-5.46803684 6.03279832 -11.72885711
-0.00045255 -0.00051106 -0.00194324
-0.04461222 0.02176273 -0.00633948
-3.75663966 3.84344060 -12.40996089
0.00042572 -0.00028908 -0.00095585
0.00326481 -0.00802911 -0.00593658
-8.12389362 1.20505562 -7.81727817
-0.00074131 0.00082237 -0.00022199
0.00389404 0.01758117 -0.00112757
-6.10615363 2.90677794 -8.98362679
0.00101806 0.00009937 0.00053892
0.03065315 0.00733429 -0.00326133
2.72651544 27.20558238 7.33832781
-0.00099420 -0.00036254 0.00118045
0.00122584 -0.00222493 -0.00943489
1.43627772 29.00916097 9.05829856
-0.00003456 0.00023924 0.00006005
0.00035190 -0.00871820 0.00703194
10.40619505 -6.80928558 -0.34887312
0.00001074 0.00016550 0.00093070
0.00489474 -0.00683982 0.00654927
8.18717988 -7.64925133 -2.03633170
-0.00048004 -0.00046566 0.00090661
-0.00374768 -0.00409228 0.00074680
-7.37743858 -0.06507298 7.31246505
-0.00031914 -0.00008424 0.00080455
0.02480831 -0.00399434 0.00427608
-10.20572855 0.44393472 7.31447776
0.00036048 -0.00059064 0.00009711
0.02237211 0.00431728 -0.02355859
20.79731175 11.29474799 10.43372582
-0.00046607 0.00019647 -0.00041272
0.00204225 -0.00133604 0.00336135
20.65787126 12.64093508 7.91670803
0.00126374 0.00044511 -0.00042207
0.00733397 0.02549092 -0.00561108
-1.09925328 -3.87780715 -27.00305865
-0.00098667 -0.00075941 -0.00074979
-0.02242747 0.04440777 -0.00260306
-3.29684560 -1.79399066 -26.53034367
0.00041837 -0.00026130 -0.00051030
-0.01806565 -0.00464008 0.01518467
-13.58456053 6.69910476 9.85452737
-0.00061001 -0.00059738 0.00051938
-0.00004719 -0.00733391 -0.00332584
-15.01269778 7.60330215 7.65298165
0.00076655 0.00041492 0.00113048
-0.00484004 0.00471369 -0.00562768
-11.59763936 7.33848360 -1.88001298
-0.00015905 -0.00087558 -0.00041791
-0.00882576 0.00228657 -0.00939495
-9.09835240 8.13933050 -3.31877034
-0.00075449 0.00068207 -0.00003464
-0.00604146 -0.00017107 0.00630861
-0.96181832 -16.48523891 22.41398632
-0.00051195 0.00027821 0.00021454
0.01302662 -0.03807535 -0.00858235
-3.32820773 -15.45463900 23.70664047
-0.00074067 -0.00065752 0.00082005
-0.00896495 -0.00762309 0.00488279
-3.18002341 5.88368768 -7.79247363
-0.00108746 -0.00062452 0.00073921
-0.00343320 0.00270463 -0.00454428
-4.31570544 6.62250258 -5.21035554
0.00084943 0.00019285 -0.00022692
-0.02372579 0.00964709 0.00761908
-21.74405110 29.73588483 2.91480395
-0.00022600 -0.00023393 -0.00051258
-0.02437982 0.00037763 -0.01317877
-21.28615678 31.10851230 5.53696450
-0.00026919 0.00063401 0.00036988
-0.00007047 -0.01516266 -0.01952304
7.21175685 0.04573922 5.95224088
-0.00025477 0.00097366 -0.00063323
-0.01171198 -0.00897091 -0.02645568
6.97093343 2.32590169 7.79370001
-0.00058239 0.00007958 -0.00108943
-0.00108961 0.01343408 -0.00087206
6.94540888 12.33763023 -12.86516503
0.00029396 -0.00110683 0.00000384
0.01546557 0.01307177 0.00530716
5.17836084 11.86585434 -15.01165681
0.00042056 -0.00098170 0.00052370
0.01285803 -0.02498005 0.03497766
14.26055891 4.08306928 -1.96087671
0.00013910 0.00043689 -0.00005958
0.01182556 -0.01019255 -0.00223933
14.80707725 1.32671129 -1.06401444
0.00054080 0.00079608 0.00035238
0.00746930 0.01197236 -0.00723112
-3.04560858 11.85779490 -0.22673696
-0.00046866 -0.00084961 -0.00006702
-0.00727207 -0.00152475 0.00708666
-5.93088605 12.83792207 0.38915726
-0.00048621 -0.00046458 -0.00050929
0.02100061 -0.00704988 -0.00445525
3.27830215 11.49522825 2.30487840
-0.00029068 -0.00101709 -0.00000167
0.02368487 0.01162532 0.01026711
6.13845250 11.55784157 2.89575866
0.00031872 0.00037068 -0.00057921
0.03198935 -0.02106852 0.00770871
25.29064321 -12.91719149 -8.79874990
0.00008841 -0.00071947 -0.00030936
-0.00825429 -0.00109611 0.01720122
25.83467047 -11.70746427 -11.24928029
-0.00065102 -0.00088210 -0.00045309
0.01811529 0.00504911 -0.03408740
15.86584434 -2.80397502 0.59922598
-0.00013750 0.00007636 -0.00008972
0.01493402 -0.00486460 -0.02744573
16.82781205 -5.22527714 -0.72789431
0.00012045 0.00042908 -0.00013042
0.01071733 0.03124649 -0.00627569
12.41039705 8.09094739 11.56902651
0.00061974 -0.00001337 0.00099296
-0.01137523 0.00635207 0.01545646
14.00643982 9.26326191 9.38310628
0.00134200 -0.00096617 0.00004967
-0.00727531 0.00009909 0.01104046
0.17246430 -14.57413470 17.20373385
0.00047730 0.00065541 -0.00006127
-0.01897939 0.00100583 0.00365736
2.01851597 -12.74275215 18.87396965
-0.00003123 -0.00003222 -0.00012717
-0.01433804 -0.01234705 -0.02136020
-3.56408064 -1.47655272 -12.44588972
0.00048913 0.00095962 -0.00002965
-0.00117222 -0.00680167 0.00299031
-2.44909570 -1.83377111 -15.09354277
0.00103467 -0.00014264 -0.00011905
-0.02671274 0.02360973 0.01350547
14.50485240 -8.04982264 -10.62389919
-0.00093593 -0.00054572 -0.00014434
0.00930616 -0.00038931 0.02294078
16.32652270 -6.43333841 -9.06443932
0.00048720 -0.00007973 0.00003710
0.03605482 0.03306268 -0.00353834
7.14955875 -5.43303450 8.83560096
0.00081633 0.00041794 0.00040300
0.01540041 -0.01491271 -0.00761974
9.87405878 -6.50084451 8.00110975
-0.00079522 0.00054636 0.00026733
-0.00332720 0.01128603 -0.00881936
-20.84706496 2.15059686 21.17347287
0.00056196 0.00010732 0.00044523
0.00475606 -0.00058307 -0.03476904
-22.34094228 1.12125060 23.37768185
0.00031510 -0.00023578 -0.00106556
0.01641795 0.02405144 0.00161787
27.09221837 -2.81004088 -6.99085802
0.00042385 -0.00020839 -0.00044953
0.00260266 -0.00635853 0.00632800
25.67874614 -1.37692997 -8.98681757
0.00012065 0.00000572 -0.00006400
-0.01051192 0.01561083 -0.00506858
9.93605000 -15.48577309 -7.76428260
-0.00027537 0.00068811 0.00006079
0.00135294 -0.03239077 0.01437985
9.03495420 -12.78938522 -7.53761476
-0.00072638 0.00009946 -0.00113220
0.00317330 0.00343775 -0.00554139
-5.72369563 -11.30551351 18.34190198
-0.00027055 -0.00012867 -0.00049902
-0.00686078 0.00119933 -0.01220526
-6.72324243 -11.05796653 15.53542160
0.00007910 0.00038222 0.00004301
0.00114452 0.00221433 0.00525171
8.88399192 1.71603044 -29.55788676
-0.00055156 0.00061705 -0.00041942
0.00477013 -0.01231617 -0.00711881
5.98915808 1.98517864 -30.30623104
0.00030257 -0.00147238 -0.00032175
-0.00495085 -0.00379530 -0.00466314
12.59580570 15.42499607 14.67313040
-0.00164198 0.00125404 0.00019049
-0.00185921 -0.00541351 -0.00694322
11.54414243 16.34458292 17.21873210
-0.00069043 0.00020675 -0.00032639
-0.02295611 -0.01042765 -0.03217760
29.02813695 5.31993312 -4.92679275
0.00039132 0.00012395 0.00034429
0.00735862 -0.01029846 -0.00119147
27.17377520 7.09650662 -3.80805846
-0.00020917 0.00063447 0.00036531
-0.00505236 0.00177842 0.00338260
-9.94765225 5.14630311 6.39386849
0.00002548 0.00029295 -0.00014601
0.00053007 -0.00121858 0.00654989
-8.90002298 13.37789556 2.62480583
-0.00013413 0.00000773 0.00005691
0.00016620 -0.00091076 0.00141972
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09424264
0.32424043
432.03411427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3965255683 (a.u.)
total exchange computation time: 2.7681720257 s
-154.1700832232
-931.42092647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3961128668 (a.u.)
total exchange computation time: 2.7690720558 s
-154.1741641206
Anderson extrapolation: theta=1.3519735078 (1.3519735078)
-931.42114529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.689 s
total exchange = -52.3954463587 (a.u.)
total exchange computation time: 2.7690320015 s
-154.1803565223
Anderson extrapolation: theta=0.0519267946 (0.0519267946)
-931.42127709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.689 s
total exchange = -52.3953239217 (a.u.)
total exchange computation time: 2.7697529793 s
-154.1812604850
Anderson extrapolation: theta=1.8970024727 (1.8970024727)
-931.42128201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3950603120 (a.u.)
total exchange computation time: 2.7704670429 s
-154.1831133575
Anderson extrapolation: theta=0.2078770729 (0.2078770729)
-931.42128700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.690 s
total exchange = -52.3949924803 (a.u.)
total exchange computation time: 2.7680661678 s
-154.1835100936
Anderson extrapolation: theta=1.8734110651 (1.8734110651)
-931.42128789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3948812034 (a.u.)
total exchange computation time: 2.7698068619 s
-154.1840733990
Anderson extrapolation: theta=0.2815624801 (0.2815624801)
-931.42128901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3948673807 (a.u.)
total exchange computation time: 2.7703161240 s
-154.1840551313
Anderson extrapolation: theta=1.3472525643 (1.3472525643)
-931.42128928
-163.417391 69.042000 97.618178
560.950275 1031.528212 -409.130669
397.532884 1100.570213 -311.512491
1210.919989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1348404543
ExchangeOperator: bisection time: 1.688 s
total exchange = -52.3948629770 (a.u.)
total exchange computation time: 2.7691559792 s
679.14527863
-1084.42748267
89.84445146
-388.69524244
-174.89343149
78.61093665
551.60419304
0.00000000
-931.42128949
4.05366063 -31.61551774 -2.27085788
-0.00010282 -0.00042173 -0.00021110
-0.02799637 0.00875811 -0.02916250
-11.73559041 -1.38309470 -9.45309550
-0.00037216 0.00014290 -0.00025335
-0.01517057 -0.02504587 -0.01705584
-37.52692645 2.49236990 0.19800593
0.00006590 0.00035532 -0.00023569
0.00824237 0.03307118 -0.02793519
-11.80515779 -4.18037575 4.14930842
-0.00003313 0.00007570 0.00023306
0.02412318 -0.01862630 -0.00909490
3.91446938 -4.19166355 8.59551054
-0.00023670 -0.00010160 -0.00039822
-0.00171181 0.02524153 0.02618702
-33.01327554 -0.24126085 0.24338132
-0.00056137 0.00021941 0.00038210
-0.02073103 0.04268906 -0.01381735
14.26392086 12.53933703 -13.54301696
0.00020039 0.00010607 -0.00003170
0.01629230 -0.01384375 0.03723071
-7.73713326 6.11824321 2.77552315
0.00011569 -0.00001836 0.00002643
0.01299949 -0.01723796 -0.01368607
7.23060583 12.06646723 -6.30847882
-0.00001362 -0.00023694 -0.00034628
0.01107204 0.02119556 -0.01195206
8.86955073 9.77615734 -19.19123217
0.00019614 -0.00040315 -0.00015647
0.01411926 0.00884378 0.01085614
23.21494538 17.34941775 -2.52170776
0.00019479 0.00002405 -0.00035690
0.01280870 0.01489990 -0.00459051
2.00808956 16.95833772 -19.63377301
-0.00013220 0.00010002 -0.00004477
0.01105235 -0.01186450 0.02425845
14.02638724 -0.96367698 -5.75727796
-0.00004741 -0.00030457 0.00021928
-0.00069424 -0.01886286 -0.00074550
-16.17328778 -1.47913684 3.20381750
-0.00027924 -0.00019870 0.00006104
-0.03368484 -0.03190745 0.01541216
-15.97280306 -2.38762050 18.72221415
0.00032457 -0.00019695 -0.00008549
0.02202390 0.02008606 0.01789621
0.42723897 2.16399255 -4.60136222
0.00003015 0.00015935 0.00008877
0.02505059 -0.01018480 -0.00256431
22.75948879 -7.11270612 -8.81006484
0.00015674 -0.00003792 0.00001908
0.00390049 -0.00575012 -0.00097661
-0.79449897 -6.46012310 7.29270096
-0.00004770 -0.00014525 -0.00007095
0.01245253 0.01232843 -0.00712204
-1.81755858 -1.43121368 -19.34082899
-0.00016149 -0.00009040 -0.00008435
-0.00679434 -0.00191653 -0.01019030
3.02336542 1.61068266 -9.17520419
-0.00031660 0.00011631 0.00007804
0.01617938 0.01798540 -0.05425384
-3.46296214 17.74912728 12.40603674
0.00026177 0.00021449 0.00025610
0.00940207 -0.00669458 -0.00929043
-3.94041870 5.27611953 -11.31824987
0.00001148 0.00039362 0.00002852
0.04300414 -0.02037918 0.00887939
-7.85688338 2.71347054 -8.88974142
-0.00009243 -0.00006953 -0.00005371
-0.02748855 -0.00418202 -0.00435861
2.55743087 27.54930151 9.11288255
0.00017144 -0.00001081 0.00032564
-0.00980425 0.01170614 0.01383601
9.30129486 -6.26916757 -1.68287362
-0.00029869 0.00007769 0.00009740
0.00210796 0.00718106 0.00058456
-8.63931475 0.68113011 6.26497207
-0.00004738 -0.00011548 0.00021299
-0.04490755 -0.00199236 0.01876288
20.54963068 11.00730256 8.65835915
0.00001481 0.00008484 -0.00010216
-0.00808157 -0.02670143 -0.00392979
-1.96179313 -2.22272580 -27.64514703
-0.00001171 -0.00004902 -0.00007711
0.03568811 -0.03671943 -0.01265372
-14.03305531 6.14852880 8.15716087
0.00038708 -0.00002214 0.00024880
0.00774491 0.00240390 0.00984224
-9.79797916 7.20775637 -1.84852472
-0.00026424 -0.00009708 0.00050503
0.01681386 0.00351625 -0.01222170
-1.79961316 -14.98650415 22.85993784
0.00010928 0.00038636 -0.00072664
-0.02182735 0.03912967 0.00712998
-2.79588621 6.20164492 -6.02649526
-0.00004649 -0.00026694 0.00012042
0.03795235 -0.01491552 -0.01186277
-20.57284992 29.93437969 4.26243754
-0.00027429 -0.00050737 0.00019989
0.02273702 0.02632475 0.04148286
7.85793151 0.79604101 7.45838526
0.00038294 0.00042453 0.00012806
0.01573113 -0.00545304 0.02428865
5.86188623 10.98974169 -13.43501853
0.00015820 -0.00035891 -0.00026183
-0.02330940 0.00723093 -0.05058382
15.65772653 2.91893676 -1.50275319
0.00000399 0.00018862 0.00046131
-0.01975607 0.00745138 0.00783960
-4.43804708 12.88755494 -0.77463207
0.00005890 -0.00037423 -0.00006153
-0.01333316 0.00692592 -0.00793013
4.78851044 12.63525481 2.41684746
-0.00000549 0.00022164 -0.00016508
-0.05851559 -0.00528926 0.00280395
24.97435928 -11.38287023 -9.71203448
-0.00027058 0.00023809 0.00043068
-0.00480307 -0.01251595 0.02094746
17.03985943 -3.32001234 -0.80235505
0.00036376 0.00029757 -0.00001129
-0.02698311 -0.02900520 0.03633220
13.61217095 7.69503163 10.26996655
0.00044408 -0.00031642 -0.00021707
0.01939082 -0.01179419 -0.02934342
1.87049866 -14.00640173 17.49625535
0.00036068 0.00007484 -0.00006522
0.03409056 0.01780798 0.01598152
-3.61687391 -0.70822834 -14.09703209
0.00008967 -0.00006779 0.00034734
0.02328410 -0.01670987 -0.02007044
15.04520334 -7.64621958 -8.85192498
0.00016174 -0.00031144 -0.00007264
-0.03763821 -0.03899682 -0.02116162
8.41402129 -6.81443954 9.01862510
0.00011324 0.00037723 0.00014818
-0.01618116 0.00329592 0.01793757
-21.09755370 2.49865226 22.90146832
-0.00000850 0.00026111 0.00009235
-0.02384916 -0.01702701 0.03425361
25.79162165 -3.03483835 -8.25723141
0.00024483 0.00011116 -0.00001332
0.00973081 -0.02184791 0.00303060
9.94913745 -13.96495058 -8.65817996
0.00000837 -0.00014661 -0.00029934
-0.01059122 0.03069811 -0.00865502
-6.64226089 -12.18369457 16.98423818
0.00017399 0.00034616 0.00015509
-0.00054251 -0.00242137 0.00854329
7.36930742 2.66040477 -29.32974650
-0.00022745 -0.00038956 0.00006620
0.00214265 0.02412649 0.01664806
10.94527006 15.86250673 15.47030090
-0.00005363 0.00030252 0.00020563
0.00016365 0.01356649 0.04175291
28.87004931 6.45501119 -3.49019681
0.00016806 0.00016416 -0.00008861
-0.00131381 0.00143329 0.00284521
5.10168902 -32.21981926 -3.63551279
-0.00027478 -0.00018047 -0.00053838
0.01090017 -0.00144458 -0.00594747
4.74081436 -31.87628131 -0.63608646
-0.00019492 -0.00055344 -0.00043969
0.01492574 -0.00193105 0.01749776
-12.44808753 -3.11068101 -9.72353298
-0.00048761 0.00062911 -0.00077524
0.01135670 0.02456094 0.00861447
-11.99010858 -0.52623610 -11.05920714
0.00030661 -0.00026889 -0.00001330
-0.00088417 -0.00292206 0.00595214
-38.94701024 2.47215853 1.32700409
-0.00031764 0.00007904 -0.00010807
-0.00663814 -0.00245704 -0.00111637
-37.76787492 3.99172392 -0.97218008
0.00031830 -0.00041297 0.00021396
-0.00023176 -0.02186833 0.01743403
-10.82429756 -5.58147452 3.21293806
-0.00029042 0.00005792 0.00065539
-0.01559616 0.02961842 0.02611104
-10.56366459 -2.87000390 4.59840108
-0.00039024 -0.00024337 0.00063167
-0.00895943 -0.00903563 -0.00910268
4.02710759 -2.32383722 8.43164695
-0.00023910 -0.00086609 -0.00013181
0.00017020 -0.02428690 -0.00241550
3.65709916 -4.35330571 10.46547162
0.00017639 -0.00049030 -0.00008440
0.00271231 0.00124601 -0.01667894
-34.73462174 -0.89415170 0.37873715
-0.00092205 0.00013159 0.00071909
0.01024975 -0.00216450 0.00485955
-33.52782596 1.60044528 -0.00050416
-0.00076718 -0.00010966 -0.00068649
0.01150505 -0.04000801 0.00871761
13.18060852 13.18516157 -14.75383204
-0.00090463 0.00067908 -0.00037006
-0.02123958 0.01412492 -0.03829390
15.88417806 12.32094255 -14.30642836
-0.00157233 -0.00030274 0.00028362
0.01196218 0.00348719 -0.00668805
-7.82798919 7.52892351 1.64003234
0.00049593 -0.00048559 -0.00029400
-0.00769594 0.00977820 -0.00151130
-7.37126430 4.77201897 1.49766620
-0.00019132 0.00071407 0.00133873
-0.00056151 0.00617449 0.01739674
6.20891758 12.29694544 -7.85702427
-0.00008571 -0.00021681 -0.00009453
0.00852915 0.00063512 0.01804534
8.50959609 13.52172676 -6.23261579
-0.00048008 0.00032046 -0.00029244
-0.01403840 -0.01855647 -0.01146142
8.94885399 8.12787473 -19.93163812
0.00015215 -0.00013550 0.00050368
0.00444242 -0.00256389 -0.00163446
10.61497610 10.50201072 -18.99008353
-0.00063987 0.00025771 0.00027059
-0.02257861 -0.00877970 -0.01026444
24.28846211 15.92887798 -2.83580495
0.00011308 -0.00035581 -0.00010328
0.00438187 -0.02819512 -0.00193373
24.45460007 18.65628232 -2.96212821
0.00090978 -0.00048131 0.00066520
-0.00592152 0.00312525 0.00636427
1.60166906 16.77791462 -21.37221484
0.00032122 0.00014041 0.00108211
-0.01165870 0.00876215 -0.02738279
3.22079809 15.55881136 -19.46044731
-0.00109683 0.00067517 0.00007993
-0.00178215 0.00779642 0.00885293
13.44761168 -2.00343867 -7.17593824
0.00104444 -0.00040086 -0.00041603
-0.00207433 0.00314678 0.01018846
12.64057061 -1.00292005 -4.57175405
-0.00002894 0.00043065 -0.00048073
0.00140491 -0.00010050 0.00067146
-17.92884746 -2.18378642 3.48540304
0.00062119 -0.00082439 0.00030362
0.03096508 0.01330753 -0.01243290
-15.18370484 -3.05507386 3.26994117
-0.00016584 -0.00036734 0.00120535
0.00445334 0.01392163 0.00098908
-15.63104760 -0.57306494 19.14660676
0.00143522 0.00008278 -0.00072871
-0.00913784 -0.02743248 -0.00482054
-14.64285282 -3.33845629 19.68100766
0.00009164 -0.00061392 -0.00075358
-0.01976768 0.00653609 -0.01539924
-0.34785372 0.55886079 -5.07365978
-0.00109194 0.00022759 -0.00007477
-0.00626648 -0.00408017 0.00196976
-0.69965260 3.48298742 -5.08015733
0.00024205 -0.00019695 0.00030774
-0.01927286 0.01411846 -0.00107787
23.88430987 -8.57652892 -9.15617294
-0.00061558 -0.00009538 0.00046708
-0.00984258 0.01150248 0.00889628
23.68934494 -5.68004194 -8.12166606
-0.00083945 0.00026636 -0.00016005
0.00580198 -0.00578418 -0.00601637
-0.58452230 -6.05783817 5.53292175
-0.00022945 0.00041731 0.00010721
-0.00855149 -0.00298817 -0.01376916
0.85875147 -5.80602842 7.80202694
-0.00044859 0.00107516 -0.00099838
-0.00324224 -0.00292967 0.01266764
-0.31144009 -2.39536686 -19.49455586
0.00034680 -0.00048981 0.00042800
0.02241667 -0.00761006 0.00953996
-2.76697793 -2.36196809 -20.62230736
0.00108140 0.00005996 -0.00005264
-0.01226528 0.00736813 -0.00241615
2.86122017 2.96518108 -10.49153951
-0.00015809 -0.00085268 -0.00090986
-0.00321937 -0.01447023 0.01358659
2.04481075 2.05132690 -7.75317393
0.00064252 0.00068407 0.00056957
-0.02001167 0.01046397 0.03188640
-2.04765374 16.49303346 12.34245036
0.00082434 -0.00091568 -0.00048254
-0.01111943 0.01084089 -0.00083563
-2.94342020 18.81494900 13.80967905
0.00057024 0.00056527 -0.00080365
-0.00344632 0.00251194 0.00760861
-5.47619211 6.02579936 -11.75819999
-0.00062553 -0.00042582 -0.00196535
-0.04006446 0.01996059 -0.00448237
-3.75015385 3.83885834 -12.42448063
0.00043881 -0.00030758 -0.00096773
0.00314519 -0.00102402 0.00012586
-8.13489392 1.21792996 -7.82064252
-0.00072551 0.00088590 -0.00022152
0.00384088 0.01351771 0.00135528
-6.08994337 2.90849321 -8.97564291
0.00112136 0.00012636 0.00052715
0.01990926 0.00587936 -0.00249991
2.71163999 27.20007612 7.35574538
-0.00098720 -0.00037526 0.00112732
0.00220309 -0.00400215 -0.01657095
1.43577006 29.01248247 9.05941485
-0.00003050 0.00020004 0.00008989
0.00163510 -0.01047009 0.00757214
10.40650613 -6.80701263 -0.33471192
0.00002353 0.00014151 0.00094814
0.00136665 -0.00490275 0.00198769
8.17986451 -7.65636158 -2.02270972
-0.00049177 -0.00047764 0.00091069
-0.00199805 -0.00177374 0.00125274
-7.38146541 -0.06645901 7.32466432
-0.00021886 -0.00009911 0.00081942
0.02427554 -0.00328540 0.00300347
-10.19963583 0.43520736 7.31521251
0.00044693 -0.00057227 0.00000273
0.01994602 0.00467907 -0.02263890
20.79038325 11.29765413 10.42763801
-0.00045712 0.00019167 -0.00039321
0.00233802 -0.00101669 0.00618905
20.67705205 12.64839284 7.91020502
0.00129263 0.00054056 -0.00044108
0.00681150 0.02123082 -0.00369254
-1.11474053 -3.88783754 -27.01438533
-0.00107611 -0.00057724 -0.00075976
-0.02135670 0.04476909 -0.00227329
-3.29112365 -1.79805241 -26.53753291
0.00033591 -0.00027757 -0.00044164
-0.02229688 -0.00332245 0.01842634
-13.59371220 6.68991935 9.86221622
-0.00060811 -0.00062791 0.00050860
0.00097976 -0.00760933 -0.00195347
-15.00134785 7.60967039 7.66976642
0.00074545 0.00043516 0.00110530
-0.00548671 0.00519543 -0.00670127
-11.60029551 7.32542000 -1.88656956
-0.00019812 -0.00086663 -0.00045512
-0.01030027 0.00209466 -0.00881887
-9.10985490 8.14955634 -3.31909663
-0.00078019 0.00067674 -0.00000226
-0.00653910 -0.00243836 0.00954374
-0.96909839 -16.48223256 22.41694137
-0.00045430 0.00011652 0.00017691
0.01519446 -0.04107363 -0.00983624
-3.33959252 -15.46473541 23.71909083
-0.00075387 -0.00067995 0.00082709
0.00250678 -0.00335500 -0.00143570
-3.19644054 5.87440280 -7.78152478
-0.00110065 -0.00061400 0.00071597
-0.00302173 0.00244548 -0.00683209
-4.30369107 6.62569102 -5.21352587
0.00074026 0.00023622 -0.00018734
-0.02971231 0.01158209 0.01175344
-21.74818823 29.73238749 2.90671140
-0.00032055 -0.00023065 -0.00056016
-0.02190094 0.00122810 -0.01011371
-21.29019680 31.11755776 5.54191445
-0.00026629 0.00056542 0.00028309
0.00149270 -0.01841293 -0.02296084
7.20757644 0.06006927 5.94193175
-0.00029687 0.00093914 -0.00073168
-0.00889783 -0.00792908 -0.02173730
6.96216418 2.32750704 7.77733183
-0.00058576 0.00013577 -0.00109032
-0.00056132 0.01407306 0.00043659
6.95029224 12.32142835 -12.86494482
0.00035938 -0.00104983 0.00002714
0.01655747 0.01482772 0.00609994
5.18506332 11.85036338 -15.00272944
0.00046911 -0.00107790 0.00065661
0.01090450 -0.02210920 0.03007927
14.26300773 4.08931036 -1.96183902
0.00018888 0.00039341 -0.00006739
0.01254448 -0.01109275 -0.00158497
14.81541820 1.33901929 -1.05895029
0.00056572 0.00083522 0.00032548
0.00472869 0.00719139 -0.00593879
-3.05286130 11.84500402 -0.22752511
-0.00049676 -0.00085725 -0.00003740
-0.00648124 -0.00221272 0.00741332
-5.93753567 12.83073737 0.38138135
-0.00039880 -0.00049317 -0.00052827
0.02178529 -0.00694656 -0.00483310
3.27466769 11.48032816 2.30516797
-0.00018547 -0.00096261 0.00004076
0.02781790 0.01504345 0.01050268
6.14421358 11.56275620 2.88730676
0.00044788 0.00028565 -0.00054820
0.03123357 -0.02055519 0.00746947
25.29171637 -12.92801718 -8.80286322
0.00005268 -0.00071680 -0.00024173
-0.00923479 0.00240527 0.01590697
25.82546034 -11.72054097 -11.25712122
-0.00058430 -0.00085711 -0.00058028
0.01454252 0.00718287 -0.02817148
15.86423942 -2.80297871 0.59703910
-0.00007483 0.00005675 -0.00020287
0.01574248 -0.00473495 -0.02794030
16.82994724 -5.21788345 -0.73004291
0.00016437 0.00055486 -0.00015625
0.01078294 0.03032171 -0.00636762
12.41934452 8.09094143 11.58439455
0.00058188 0.00001036 0.00104579
-0.00715444 0.00526703 0.01040305
14.02634690 9.24877242 9.38418968
0.00131263 -0.00095962 0.00009232
-0.00710172 0.00310584 0.00983446
0.17904216 -14.56427268 17.20292686
0.00039618 0.00065731 -0.00004772
-0.02072902 -0.00007517 0.00297776
2.01760811 -12.74361374 18.87140750
-0.00008872 -0.00008061 -0.00021265
-0.01380068 -0.01134157 -0.02048346
-3.55677957 -1.46236682 -12.44624288
0.00048496 0.00092639 -0.00000707
-0.00086794 -0.00946622 0.00806418
-2.43439427 -1.83518730 -15.09491462
0.00091890 -0.00004106 -0.00005818
-0.02995343 0.02611632 0.01629018
14.49109865 -8.05802037 -10.62536134
-0.00089403 -0.00054508 -0.00004650
0.01120387 0.00070366 0.02495242
16.33493547 -6.43352128 -9.06399128
0.00062787 0.00004909 0.00002192
0.03280585 0.02999933 -0.00389102
7.16227563 -5.42722232 8.84141249
0.00087443 0.00036027 0.00037182
0.01303770 -0.01332004 -0.00764598
9.86202851 -6.49230324 8.00484944
-0.00079741 0.00059392 0.00022413
0.00225384 0.01199409 -0.01232571
-20.83848984 2.15218874 21.17908586
0.00058296 0.00010546 0.00029968
0.00552454 -0.00032745 -0.03647683
-22.33571267 1.11845089 23.36174803
0.00038055 -0.00013825 -0.00105630
0.01562074 0.02369220 0.00291517
27.09865595 -2.81336153 -6.99740708
0.00043625 -0.00023367 -0.00042153
0.00346392 -0.00601846 0.00737987
25.68023383 -1.37636574 -8.98793287
0.00007761 0.00007035 -0.00008435
-0.01056078 0.01602423 -0.00489161
9.93196084 -15.47644397 -7.76293003
-0.00026983 0.00054764 0.00012444
0.00136030 -0.03636854 0.01677673
9.02415572 -12.78778799 -7.55476754
-0.00071274 0.00011395 -0.00115447
0.00350356 0.00365362 -0.00536054
-5.72796415 -11.30740678 18.33404267
-0.00029215 -0.00011776 -0.00053942
-0.00371083 0.00413785 -0.00757277
-6.72202078 -11.05216541 15.53622763
0.00008375 0.00039066 0.00006544
0.00112717 0.00191706 0.00572753
8.87586473 1.72490886 -29.56439624
-0.00052032 0.00056082 -0.00044936
0.01052052 -0.01521313 -0.00753707
5.99354487 1.96297661 -30.31120014
0.00028395 -0.00148469 -0.00033849
-0.00416432 -0.00223117 -0.00353249
12.57111897 15.44364085 14.67577494
-0.00163321 0.00122717 0.00015513
0.00615446 -0.00773930 -0.01036472
11.53308251 16.34736467 17.21285022
-0.00078070 0.00016622 -0.00044982
-0.02123300 -0.00941310 -0.02824395
29.03423230 5.32147682 -4.92166489
0.00041980 0.00008035 0.00033628
0.00658209 -0.01104283 -0.00273016
27.17048287 7.10607819 -3.80247514
-0.00022335 0.00063807 0.00037872
-0.00189225 -0.00001606 0.00317884
-9.94726862 5.15069416 6.39169588
0.00002567 0.00029249 -0.00014370
0.00052161 -0.00136022 0.00640089
-8.90203469 13.37800988 2.62566197
-0.00013411 0.00000753 0.00005724
0.00000685 -0.00077148 0.00140359
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09446067
0.32682882
435.48301112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.708 s
total exchange = -52.4042680145 (a.u.)
total exchange computation time: 2.6711468697 s
-154.2015331197
-931.42280037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4038011228 (a.u.)
total exchange computation time: 2.6676881313 s
-154.2060040250
Anderson extrapolation: theta=1.3545709246 (1.3545709246)
-931.42301322
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4030543781 (a.u.)
total exchange computation time: 2.6681840420 s
-154.2127891696
Anderson extrapolation: theta=0.0521845954 (0.0521845954)
-931.42314150
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.708 s
total exchange = -52.4029242742 (a.u.)
total exchange computation time: 2.6683800220 s
-154.2137598113
Anderson extrapolation: theta=1.8861962109 (1.8861962109)
-931.42314623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4026478524 (a.u.)
total exchange computation time: 2.6675400734 s
-154.2157351593
Anderson extrapolation: theta=0.2033513442 (0.2033513442)
-931.42315096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4025790346 (a.u.)
total exchange computation time: 2.6677238941 s
-154.2161524195
Anderson extrapolation: theta=1.8565930550 (1.8565930550)
-931.42315179
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4024672461 (a.u.)
total exchange computation time: 2.6682670116 s
-154.2167490148
Anderson extrapolation: theta=0.2816131149 (0.2816131149)
-931.42315283
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4024533269 (a.u.)
total exchange computation time: 2.6679329872 s
-154.2167412819
Anderson extrapolation: theta=1.3626850850 (1.3626850850)
-931.42315308
-163.473162 69.069966 97.605405
560.947667 1031.513877 -409.130025
397.474505 1100.583844 -311.524619
1210.916334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4024485312 (a.u.)
total exchange computation time: 2.6692309380 s
679.24604226
-1084.66460614
89.84330014
-388.53354351
-174.91189751
78.74227049
551.60419304
0.00000000
-931.42315330
4.05201035 -31.62180987 -2.27413694
-0.00011728 -0.00041718 -0.00022658
-0.02821946 0.00891201 -0.03102932
-11.74123134 -1.38104788 -9.45696155
-0.00037967 0.00013006 -0.00026137
-0.01401664 -0.02487903 -0.01414778
-37.52590614 2.49782723 0.19436276
0.00006967 0.00037120 -0.00024867
0.00639688 0.02869409 -0.02251876
-11.80556163 -4.17931207 4.15276925
-0.00002150 0.00006595 0.00022854
0.02108418 -0.01928778 -0.00846714
3.91091224 -4.19309015 8.58963831
-0.00023773 -0.00009003 -0.00038425
-0.00227114 0.01975662 0.02812543
-33.02177599 -0.23780509 0.24905955
-0.00057263 0.00024079 0.00037498
-0.02306697 0.04044794 -0.01388107
14.26698962 12.54087461 -13.54334891
0.00020345 0.00010053 -0.00001315
-0.00442997 -0.00769668 0.03493489
-7.73534771 6.11790127 2.77586681
0.00012201 -0.00002582 0.00002111
0.01157815 -0.01175255 -0.00700024
7.23044422 12.06299489 -6.31371911
-0.00000770 -0.00022590 -0.00035220
0.01193949 0.02173982 -0.01108269
8.87254730 9.77014413 -19.19353741
0.00020246 -0.00039772 -0.00015046
0.01044147 0.01228038 0.01252029
23.21791660 17.34983598 -2.52707900
0.00020164 0.00003105 -0.00035917
0.01383371 0.01232539 -0.00423946
2.00614925 16.95979227 -19.63435093
-0.00012709 0.00009545 -0.00003016
0.00879512 -0.00592036 0.03252206
14.02567338 -0.96831833 -5.75399167
-0.00004694 -0.00031425 0.00021795
0.00251422 -0.01877968 -0.00440290
-16.17760632 -1.48224040 3.20479254
-0.00029551 -0.00021530 0.00006895
-0.02957636 -0.03265490 0.01536218
-15.96784962 -2.39049733 18.72100081
0.00033562 -0.00018601 -0.00007660
0.02096139 0.02248709 0.01667131
0.42778790 2.16634356 -4.60004061
0.00004300 0.00015274 0.00008737
0.02492417 -0.01552863 -0.00288023
22.76185486 -7.11329707 -8.80978241
0.00015759 -0.00004062 0.00001844
-0.00056900 -0.00475901 -0.00153161
-0.79516645 -6.46225427 7.29160917
-0.00004145 -0.00013883 -0.00007478
0.01186142 0.01261845 -0.00777312
-1.82000711 -1.43257707 -19.34213350
-0.00016302 -0.00009154 -0.00008881
0.00085147 -0.00253615 -0.00716466
3.01867881 1.61249663 -9.17424285
-0.00030831 0.00012517 0.00005022
0.01605083 0.01647440 -0.05392745
-3.45899926 17.75231887 12.40984237
0.00026739 0.00020940 0.00025034
0.01244699 -0.01312195 -0.01309413
-3.94008064 5.28194528 -11.31778776
0.00003206 0.00038205 0.00003107
0.03702687 -0.02463791 0.00101067
-7.85837580 2.71241147 -8.89056382
-0.00010368 -0.00007025 -0.00005686
-0.01628722 0.00136382 -0.00791221
2.55996470 27.54918457 9.11782051
0.00016593 -0.00000398 0.00033427
-0.01162934 0.01484757 0.01973192
9.29682262 -6.26797453 -1.68141037
-0.00029716 0.00008023 0.00009869
0.00384560 0.00270840 0.00442265
-8.64019869 0.67939017 6.26823922
-0.00006936 -0.00011677 0.00022269
-0.04055402 -0.00300123 0.01895778
20.54982170 11.00847216 8.65681163
0.00001075 0.00007223 -0.00010542
-0.00773479 -0.02233103 -0.00876683
-1.96183110 -2.22360277 -27.64635243
0.00000719 -0.00006792 -0.00008432
0.03780317 -0.03677362 -0.01540224
-14.02721920 6.14820595 8.16093082
0.00039088 -0.00002088 0.00025367
0.00703993 0.00249041 0.00909364
-9.80187796 7.20631371 -1.84099641
-0.00025524 -0.00009465 0.00049784
0.01821099 0.00593465 -0.01573977
-1.79805822 -14.98055788 22.84906581
0.00009512 0.00040578 -0.00072128
-0.03321622 0.03640354 0.01370763
-2.79643717 6.19758322 -6.02473472
-0.00002586 -0.00027491 0.00011398
0.04227300 -0.01607725 -0.01317560
-20.57687662 29.92687067 4.26559588
-0.00026373 -0.00049332 0.00022096
0.01832474 0.02830655 0.04046441
7.86373624 0.80238794 7.46039981
0.00038998 0.00042127 0.00013885
0.01164554 -0.00723315 0.01768563
5.86416927 10.98438587 -13.43914104
0.00014663 -0.00035637 -0.00028634
-0.02168708 0.00267334 -0.04474265
15.65771010 2.92179474 -1.49580337
-0.00000547 0.00019392 0.00046479
-0.01699560 0.01317084 0.00570573
-4.43721504 12.88196816 -0.77558565
0.00005176 -0.00037051 -0.00006560
-0.01443799 0.00755473 -0.00788012
4.78820240 12.63855905 2.41438200
-0.00003589 0.00021779 -0.00016350
-0.05972081 -0.00971305 0.00335132
24.97028199 -11.37934710 -9.70549354
-0.00027172 0.00023017 0.00044002
0.00038292 -0.01827741 0.01539271
17.04521172 -3.31566059 -0.80238423
0.00034980 0.00028300 0.00000733
-0.02730017 -0.02766480 0.03608031
13.61890693 7.69023984 10.26659729
0.00045275 -0.00032296 -0.00023050
0.01434462 -0.01363015 -0.02287111
1.87604040 -14.00521038 17.49533875
0.00037827 0.00008380 -0.00005719
0.03428952 0.01702781 0.01524083
-3.61543904 -0.70930972 -14.09189935
0.00010217 -0.00007616 0.00033520
0.02530760 -0.01583897 -0.02715595
15.04748420 -7.65104162 -8.85309627
0.00014312 -0.00033064 -0.00008380
-0.03477318 -0.03565263 -0.02223276
8.41565744 -6.80876832 9.02091700
0.00010429 0.00037818 0.00015826
-0.01859949 0.00037940 0.02126985
-21.09777320 2.50250317 22.90298573
-0.00002057 0.00025244 0.00010969
-0.02309200 -0.01666269 0.03316800
25.79533158 -3.03325528 -8.25741947
0.00024958 0.00009985 -0.00001213
0.00876387 -0.02211952 0.00156591
9.94922209 -13.96703139 -8.66270344
0.00000294 -0.00013025 -0.00030423
-0.01050891 0.03295090 -0.01034936
-6.63965320 -12.17851146 16.98659742
0.00017280 0.00034418 0.00015803
-0.00405883 -0.00529491 0.00290849
7.36590399 2.65465448 -29.32868925
-0.00022794 -0.00037687 0.00007456
-0.00404807 0.02522287 0.01586457
10.94446618 15.86709687 15.47354635
-0.00005623 0.00030972 0.00022683
-0.01025683 0.01443153 0.04069203
28.87256515 6.45747916 -3.49151494
0.00016680 0.00016550 -0.00008682
-0.00358657 0.00378634 0.00411956
5.09790131 -32.22257052 -3.64377075
-0.00023079 -0.00018606 -0.00056125
0.01063290 -0.00129289 -0.00524698
4.73834796 -31.88464215 -0.64214559
-0.00013281 -0.00056177 -0.00036552
0.01547849 -0.00214623 0.01880782
-12.45505365 -3.10049177 -9.73489758
-0.00044275 0.00072462 -0.00073957
0.01060265 0.02219208 0.00884743
-11.98553651 -0.53035893 -11.05922423
0.00030222 -0.00027602 0.00000445
-0.00126707 -0.00057125 0.00273358
-38.95197821 2.47326890 1.32534890
-0.00033969 0.00006936 -0.00011692
-0.00415871 -0.00228159 -0.00321574
-37.76310757 3.98485932 -0.96843642
0.00031555 -0.00049387 0.00027908
-0.00111245 -0.01773354 0.01444158
-10.82913176 -5.57969813 3.22356910
-0.00035188 0.00017656 0.00075993
-0.01448893 0.02845634 0.02505826
-10.56979277 -2.87393135 4.60759713
-0.00042292 -0.00027660 0.00059535
-0.00703535 -0.00722970 -0.00867307
4.02352630 -2.33757277 8.42959578
-0.00023780 -0.00095407 -0.00014266
0.00046479 -0.01877866 -0.00289363
3.65982809 -4.36062209 10.46369455
0.00018751 -0.00048472 -0.00015551
0.00273028 0.00148763 -0.01813295
-34.74813846 -0.89224414 0.38967234
-0.00087504 0.00012452 0.00073854
0.01276250 -0.00129597 0.00466273
-33.53898118 1.59757436 -0.01053443
-0.00072022 -0.00027056 -0.00065047
0.01148295 -0.03875065 0.00891441
13.16638828 13.19578063 -14.76055645
-0.00097553 0.00072728 -0.00050914
-0.01346785 0.00946747 -0.02978612
15.86095973 12.31650835 -14.30237905
-0.00149719 -0.00029148 0.00024327
0.02481800 0.00202132 -0.01306340
-7.82078606 7.52193933 1.63557597
0.00046376 -0.00044254 -0.00030118
-0.00805113 0.01129625 -0.00200358
-7.37415129 4.78291917 1.51828025
-0.00019049 0.00072506 0.00139781
0.00096963 -0.00079069 0.01152191
6.20789323 12.29371271 -7.85788921
-0.00005299 -0.00021400 -0.00002328
0.00748709 0.00074411 0.01682876
8.50196477 13.52596507 -6.23735362
-0.00053753 0.00024322 -0.00033877
-0.01408473 -0.01925432 -0.01121763
8.95127238 8.12576360 -19.92413308
0.00017159 -0.00015333 0.00049347
0.00507365 -0.00616238 -0.00335916
10.60468616 10.50560732 -18.98633928
-0.00072603 0.00022255 0.00022859
-0.01959556 -0.00843112 -0.01029111
24.29029254 15.92267681 -2.83741347
0.00012800 -0.00046757 -0.00011021
0.00292360 -0.02651002 -0.00145472
24.46806527 18.64915839 -2.95195514
0.00088604 -0.00046675 0.00068972
-0.00569827 0.00400533 0.00563675
1.60613008 16.78028932 -21.35682222
0.00026837 0.00017473 0.00095038
-0.01420956 0.00803788 -0.03709959
3.20429103 15.56917780 -19.45897711
-0.00109412 0.00069576 0.00011857
0.00310708 0.00228213 0.01006232
13.46321473 -2.00935516 -7.18186651
0.00103562 -0.00038601 -0.00037080
-0.00224218 0.00412244 0.01195498
12.64017961 -0.99646336 -4.57894446
-0.00002941 0.00042877 -0.00047417
-0.00163827 -0.00082132 0.00254113
-17.91858074 -2.19574455 3.48957629
0.00073930 -0.00077065 0.00025366
0.02684836 0.01300121 -0.01202284
-15.18605599 -3.06015740 3.28805178
-0.00014735 -0.00030738 0.00120841
0.00459903 0.01543197 0.00050850
-15.60979927 -0.57266382 19.13552832
0.00139675 -0.00003282 -0.00074877
-0.00969430 -0.02915567 -0.00499888
-14.64208389 -3.34746473 19.66923201
0.00001415 -0.00058858 -0.00081363
-0.01816726 0.00586604 -0.01399414
-0.36442491 0.56214965 -5.07472093
-0.00111291 0.00021531 -0.00006471
-0.00399393 -0.00193488 0.00295235
-0.69661243 3.48046586 -5.07557429
0.00015984 -0.00013317 0.00030198
-0.02097035 0.01709916 -0.00173877
23.87477449 -8.57760711 -9.14889420
-0.00065060 -0.00005245 0.00050234
-0.00729584 0.00950925 0.00836622
23.67693091 -5.67622378 -8.12425120
-0.00081179 0.00024544 -0.00018261
0.00774160 -0.00445451 -0.00502381
-0.58822607 -6.05167004 5.53410795
-0.00026622 0.00040420 0.00004917
-0.00944927 -0.00343140 -0.01464255
0.85192323 -5.78999073 7.78743938
-0.00045843 0.00106329 -0.00094339
-0.00157520 -0.00288471 0.01425093
-0.30555114 -2.40294727 -19.48784348
0.00042942 -0.00051443 0.00046838
0.01802621 -0.00444086 0.01022658
-2.75113278 -2.36084289 -20.62317099
0.00102453 0.00008507 -0.00006979
-0.01557228 0.00492267 -0.00597713
2.85875021 2.95194743 -10.50477110
-0.00017202 -0.00090982 -0.00085266
-0.00359911 -0.01349976 0.01441478
2.05383535 2.06190855 -7.74365333
0.00056158 0.00072737 0.00069791
-0.01961018 0.01073354 0.03093859
-2.03562931 16.47963049 12.33518658
0.00076986 -0.00086183 -0.00048350
-0.01555144 0.01551658 0.00036937
-2.93497215 18.82350508 13.79785752
0.00055878 0.00057832 -0.00076733
-0.00216604 0.00387204 0.01016948
-5.48680278 6.02002371 -11.78781758
-0.00077641 -0.00034954 -0.00197848
-0.03379058 0.01737811 -0.00194448
-3.74347528 3.83421332 -12.43899266
0.00045134 -0.00029848 -0.00095555
0.00298643 0.00547838 0.00583271
-8.14565882 1.23163275 -7.82392381
-0.00071017 0.00093206 -0.00021032
0.00366423 0.00907552 0.00412721
-6.07251295 2.91056881 -8.96781224
0.00118027 0.00014736 0.00051823
0.00892861 0.00439695 -0.00186605
2.69689956 27.19432459 7.37214737
-0.00097660 -0.00039509 0.00104601
0.00298300 -0.00570485 -0.02323201
1.43536261 29.01516231 9.06099520
-0.00002164 0.00015432 0.00012184
0.00270279 -0.01191096 0.00806686
10.40690096 -6.80504016 -0.32042889
0.00002215 0.00012529 0.00094710
-0.00204149 -0.00303906 -0.00249543
8.17242669 -7.66358054 -2.00901098
-0.00049625 -0.00047996 0.00091677
-0.00019554 0.00063847 0.00172215
-7.38400449 -0.06804640 7.33704766
-0.00012190 -0.00011046 0.00082822
0.02318823 -0.00226921 0.00130179
-10.19232071 0.42676676 7.31455980
0.00052200 -0.00055276 -0.00008676
0.01680059 0.00486953 -0.02116733
20.78359803 11.30049797 10.42192951
-0.00044705 0.00018812 -0.00036256
0.00259336 -0.00071973 0.00881264
20.69665029 12.65715175 7.90347571
0.00131912 0.00061738 -0.00045163
0.00615409 0.01637546 -0.00147485
-1.13153665 -3.89512421 -27.02585132
-0.00116040 -0.00039522 -0.00076804
-0.01990225 0.04432747 -0.00177961
-3.28676818 -1.80231778 -26.54359286
0.00023775 -0.00028888 -0.00036113
-0.02575298 -0.00221420 0.02098215
-13.60280382 6.68026760 9.86978535
-0.00060208 -0.00065947 0.00050357
0.00197113 -0.00784365 -0.00050787
-14.99033418 7.61635705 7.68614050
0.00072216 0.00045682 0.00107604
-0.00591779 0.00540547 -0.00761907
-11.60358293 7.31248477 -1.89366661
-0.00024218 -0.00085859 -0.00048997
-0.01126652 0.00184080 -0.00823770
-9.12175816 8.15963274 -3.31883803
-0.00080752 0.00066254 0.00004270
-0.00683887 -0.00451325 0.01246166
-0.97544724 -16.48174345 22.41929359
-0.00038966 -0.00005414 0.00013527
0.01644761 -0.04246142 -0.01054399
-3.35082369 -15.47503744 23.73145320
-0.00072272 -0.00068538 0.00080924
0.01274116 0.00069671 -0.00730200
-3.21304286 5.86526780 -7.77099464
-0.00111210 -0.00060451 0.00068375
-0.00258511 0.00219753 -0.00893736
-4.29349764 6.62958929 -5.21597587
0.00060895 0.00028708 -0.00013209
-0.03456325 0.01331197 0.01529251
-21.75366758 29.72896542 2.89799901
-0.00040391 -0.00022384 -0.00059412
-0.01890289 0.00210408 -0.00650781
-21.29414534 31.12547477 5.54545721
-0.00025764 0.00048473 0.00018380
0.00273707 -0.02108555 -0.02564198
7.20285071 0.07391337 5.93029042
-0.00032695 0.00090931 -0.00080964
-0.00582365 -0.00667420 -0.01642534
6.95336052 2.32997487 7.76099040
-0.00058642 0.00019355 -0.00108608
0.00024173 0.01421041 0.00163982
6.95619035 12.30613521 -12.86435076
0.00042827 -0.00098689 0.00005313
0.01716301 0.01598477 0.00662238
5.19243409 11.83351744 -14.99195861
0.00050856 -0.00116101 0.00076698
0.00840522 -0.01857626 0.02394907
14.26622535 4.09487161 -1.96289847
0.00024094 0.00034681 -0.00007272
0.01293669 -0.01171719 -0.00102230
14.82404895 1.35176803 -1.05425010
0.00057895 0.00085383 0.00030416
0.00174810 0.00191411 -0.00449712
-3.06051124 11.83207753 -0.22785893
-0.00052163 -0.00086763 -0.00000657
-0.00569401 -0.00287032 0.00767841
-5.94285015 12.82312695 0.37330925
-0.00030899 -0.00052127 -0.00054830
0.02217934 -0.00680593 -0.00497546
3.27273808 11.46635003 2.30610121
-0.00006526 -0.00089537 0.00008396
0.03102316 0.01787063 0.01064559
6.15188884 11.56641108 2.87931263
0.00057169 0.00020449 -0.00051896
0.02937146 -0.01917118 0.00684604
25.29222356 -12.93869546 -8.80600165
0.00001305 -0.00069975 -0.00017954
-0.01016114 0.00593821 0.01453423
25.81714147 -11.73317747 -11.26668866
-0.00053266 -0.00082312 -0.00068169
0.01073339 0.00945406 -0.02147086
15.86359930 -2.80227258 0.59313987
-0.00000995 0.00003813 -0.00031675
0.01601824 -0.00437726 -0.02780498
16.83274328 -5.20863146 -0.73258175
0.00020833 0.00067516 -0.00018238
0.01073396 0.02856992 -0.00642355
12.42785352 8.09125826 11.60040016
0.00056142 0.00002940 0.00107754
-0.00286360 0.00405129 0.00514046
14.04581874 9.23447327 9.38587579
0.00128432 -0.00094042 0.00012972
-0.00675870 0.00629488 0.00847499
0.18434962 -14.55441528 17.20230236
0.00030944 0.00065525 -0.00003682
-0.02172924 -0.00093425 0.00235557
2.01585447 -12.74517042 18.86759000
-0.00014375 -0.00012386 -0.00029342
-0.01313943 -0.00983230 -0.01905103
-3.54953169 -1.44876106 -12.44610182
0.00048210 0.00088264 0.00003585
-0.00053371 -0.01195081 0.01294340
-2.42152858 -1.83500292 -15.09528810
0.00079144 0.00006926 0.00001271
-0.03244050 0.02788542 0.01840947
14.47803153 -8.06617497 -10.62529426
-0.00084482 -0.00054028 0.00005813
0.01288505 0.00164449 0.02626673
16.34535879 -6.43186561 -9.06378171
0.00075292 0.00016328 0.00000567
0.02840826 0.02589795 -0.00406317
7.17579154 -5.42222647 8.84675543
0.00092200 0.00031000 0.00034058
0.01024977 -0.01128562 -0.00764638
9.85013637 -6.48302690 8.00783373
-0.00077720 0.00064419 0.00016686
0.00764114 0.01261516 -0.01571083
-20.82957613 2.15376056 21.18246333
0.00060658 0.00010518 0.00015018
0.00603520 0.00019179 -0.03670657
-22.32952572 1.11710318 23.34599287
0.00044187 -0.00004324 -0.00104156
0.01439689 0.02281264 0.00429966
27.10530581 -2.81705103 -7.00350386
0.00045187 -0.00025753 -0.00038957
0.00418404 -0.00566039 0.00826289
25.68107430 -1.37481944 -8.98934796
0.00003453 0.00013555 -0.00010341
-0.01052370 0.01588907 -0.00444046
9.92795506 -15.46934374 -7.76054928
-0.00026433 0.00039411 0.00019622
0.00133180 -0.03878852 0.01836004
9.01357196 -12.78596685 -7.57224885
-0.00069782 0.00012927 -0.00117584
0.00380101 0.00384921 -0.00510098
-5.73246010 -11.30904645 18.32571925
-0.00030036 -0.00009442 -0.00056005
-0.00030752 0.00728876 -0.00252549
-6.72073006 -11.04624681 15.53738467
0.00008827 0.00039793 0.00008961
0.00108954 0.00164352 0.00610546
8.86838230 1.73285492 -29.57136763
-0.00046643 0.00049344 -0.00048097
0.01586128 -0.01776671 -0.00793319
5.99767644 1.94063783 -30.31638572
0.00026889 -0.00149031 -0.00035027
-0.00320444 -0.00051855 -0.00223397
12.54680942 15.46181132 14.67778427
-0.00159073 0.00119082 0.00010515
0.01463813 -0.01005839 -0.01409953
11.52072129 16.34956952 17.20523737
-0.00086316 0.00013044 -0.00055502
-0.01913078 -0.00810149 -0.02325051
29.04073103 5.32234375 -4.91670436
0.00044500 0.00003408 0.00032243
0.00575189 -0.01161060 -0.00405096
27.16707456 7.11564877 -3.79669700
-0.00022467 0.00063431 0.00039117
0.00125014 -0.00182606 0.00291879
-9.94688219 5.15507791 6.38955763
0.00002584 0.00029201 -0.00014144
0.00044344 -0.00131946 0.00617441
-8.90404638 13.37812150 2.62652300
-0.00013413 0.00000737 0.00005756
-0.00016657 -0.00064029 0.00140308
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09474613
0.32840717
437.58608388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4114767587 (a.u.)
total exchange computation time: 2.6672618389 s
-154.2316570749
-931.42313983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4109594287 (a.u.)
total exchange computation time: 2.6673898697 s
-154.2365468337
Anderson extrapolation: theta=1.3582481909 (1.3582481909)
-931.42334777
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4101465724 (a.u.)
total exchange computation time: 2.6675589085 s
-154.2439205018
Anderson extrapolation: theta=0.0532721229 (0.0532721229)
-931.42347365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4100156908 (a.u.)
total exchange computation time: 2.6660540104 s
-154.2449307804
Anderson extrapolation: theta=1.9123654173 (1.9123654173)
-931.42347842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4097368125 (a.u.)
total exchange computation time: 2.6684520245 s
-154.2470035901
Anderson extrapolation: theta=0.2060650333 (0.2060650333)
-931.42348331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4096687133 (a.u.)
total exchange computation time: 2.6661529541 s
-154.2474412751
Anderson extrapolation: theta=1.8614857159 (1.8614857159)
-931.42348419
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4095590221 (a.u.)
total exchange computation time: 2.6659522057 s
-154.2480710311
Anderson extrapolation: theta=0.2817371480 (0.2817371480)
-931.42348530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4095464405 (a.u.)
total exchange computation time: 2.6700539589 s
-154.2480667373
Anderson extrapolation: theta=1.3554207398 (1.3554207398)
-931.42348557
-163.528579 69.101083 97.589374
560.945564 1031.500076 -409.130281
397.416984 1100.601158 -311.540907
1210.917382
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4095438107 (a.u.)
total exchange computation time: 2.6668169498 s
679.34623435
-1084.89647170
89.84102211
-388.37480090
-174.92992585
78.87076885
551.60419304
0.00000000
-931.42348579
4.05014237 -31.62803324 -2.27765538
-0.00013170 -0.00041262 -0.00024286
-0.02787210 0.00882594 -0.03226631
-11.74698041 -1.37919299 -9.46093674
-0.00038650 0.00011748 -0.00026783
-0.01254189 -0.02403772 -0.01095843
-37.52483649 2.50350592 0.19054586
0.00007248 0.00038464 -0.00025869
0.00456105 0.02356581 -0.01646181
-11.80580281 -4.17839719 4.15616476
-0.00001160 0.00005597 0.00022443
0.01741266 -0.01954554 -0.00753881
3.90733759 -4.19436433 8.58398305
-0.00023903 -0.00008148 -0.00036940
-0.00281455 0.01348531 0.02962232
-33.03045439 -0.23403729 0.25463070
-0.00058494 0.00026080 0.00036787
-0.02481176 0.03738601 -0.01377735
14.27002421 12.54235282 -13.54341134
0.00019573 0.00009824 0.00000420
-0.02555688 -0.00118903 0.03252499
-7.73347284 6.11746865 2.77615648
0.00012756 -0.00003014 0.00001927
0.00999038 -0.00506976 -0.00014667
7.23037472 12.05969027 -6.31904491
-0.00000135 -0.00021469 -0.00035759
0.01276898 0.02186601 -0.00986403
8.87562442 9.76422566 -19.19574606
0.00020674 -0.00039065 -0.00014366
0.00620161 0.01522149 0.01395347
23.22099455 17.35034929 -2.53248294
0.00020910 0.00003658 -0.00036127
0.01516040 0.00917022 -0.00391147
2.00427679 16.96120115 -19.63467795
-0.00012329 0.00009402 -0.00001157
0.00600124 0.00035744 0.03980501
14.02497892 -0.97310456 -5.75073935
-0.00004481 -0.00032386 0.00021483
0.00579267 -0.01859157 -0.00775338
-16.18215303 -1.48559588 3.20588610
-0.00030946 -0.00023212 0.00007680
-0.02467940 -0.03273518 0.01516655
-15.96273446 -2.39320069 18.71991608
0.00034598 -0.00017393 -0.00006846
0.01933146 0.02448537 0.01499478
0.42852910 2.16857477 -4.59874122
0.00005563 0.00014356 0.00008573
0.02418172 -0.02018262 -0.00347748
22.76421654 -7.11392473 -8.80951179
0.00015610 -0.00004272 0.00001751
-0.00524842 -0.00342324 -0.00204862
-0.79574243 -6.46428809 7.29045741
-0.00003549 -0.00013226 -0.00007901
0.01131086 0.01295298 -0.00866355
-1.82244908 -1.43396002 -19.34349329
-0.00016058 -0.00009305 -0.00009170
0.00862574 -0.00330898 -0.00407991
3.01411604 1.61443769 -9.17369754
-0.00030031 0.00013326 0.00002302
0.01508353 0.01499413 -0.05186333
-3.45494036 17.75540923 12.41354697
0.00027440 0.00020117 0.00024270
0.01479463 -0.01887186 -0.01661795
-3.93945694 5.28758096 -11.31731785
0.00004925 0.00036858 0.00002955
0.02980900 -0.02772623 -0.00692339
-7.85999387 2.71136293 -8.89144727
-0.00010923 -0.00006807 -0.00006187
-0.00527988 0.00713761 -0.01155966
2.56240881 27.54918217 9.12291068
0.00015960 0.00000434 0.00034573
-0.01300547 0.01749485 0.02481452
9.29238005 -6.26676060 -1.67991301
-0.00029479 0.00008050 0.00010191
0.00536010 -0.00165557 0.00810698
-8.64139549 0.67762708 6.27165263
-0.00008879 -0.00011859 0.00023244
-0.03502424 -0.00408157 0.01897217
20.54995305 11.00946948 8.65519647
0.00000690 0.00006197 -0.00011114
-0.00720625 -0.01755655 -0.01346169
-1.96157744 -2.22476345 -27.64767665
0.00002681 -0.00008657 -0.00009278
0.03849087 -0.03573347 -0.01750939
-14.02132878 6.14790231 8.16477092
0.00039428 -0.00001952 0.00025811
0.00615864 0.00281940 0.00816435
-9.80563628 7.20491683 -1.83358953
-0.00024572 -0.00009102 0.00048893
0.01881131 0.00817066 -0.01891214
-1.79675952 -14.97433077 22.83829952
0.00007574 0.00042341 -0.00071283
-0.04215893 0.03216297 0.01915434
-2.79666201 6.19339750 -6.02307582
-0.00000339 -0.00028341 0.00010701
0.04509256 -0.01695760 -0.01393591
-20.58076194 29.91958002 4.26906639
-0.00025545 -0.00047844 0.00024121
0.01389062 0.02957048 0.03827354
7.86963082 0.80867907 7.46255080
0.00039481 0.00041720 0.00014619
0.00714765 -0.00859704 0.01085441
5.86628499 10.97905067 -13.44360873
0.00013617 -0.00035617 -0.00030745
-0.01896908 -0.00189580 -0.03735018
15.65756257 2.92475433 -1.48880953
-0.00001337 0.00020217 0.00046718
-0.01373271 0.01892922 0.00357962
-4.43649439 12.87643967 -0.77660003
0.00004416 -0.00036649 -0.00006969
-0.01508926 0.00807005 -0.00802686
4.78743363 12.64178837 2.41194240
-0.00006642 0.00021160 -0.00016154
-0.05899707 -0.01434020 0.00428540
24.96620766 -11.37596498 -9.69883386
-0.00027020 0.00021930 0.00044641
0.00553329 -0.02399369 0.00946531
17.05035340 -3.31152228 -0.80213505
0.00033584 0.00026927 0.00002565
-0.02698238 -0.02571832 0.03516062
13.62575358 7.68534290 10.26305158
0.00045883 -0.00033044 -0.00024058
0.00930097 -0.01546623 -0.01631259
1.88184667 -14.00388766 17.49453973
0.00039571 0.00009217 -0.00004970
0.03355353 0.01552018 0.01388450
-3.61380892 -0.71051328 -14.08697612
0.00011550 -0.00008398 0.00031969
0.02655586 -0.01453866 -0.03316432
15.04949680 -7.65613870 -8.85443908
0.00012625 -0.00034786 -0.00009537
-0.03079609 -0.03130712 -0.02273223
8.41715009 -6.80309416 9.02337300
0.00009432 0.00037755 0.00016998
-0.02016864 -0.00282154 0.02431025
-21.09817083 2.50622553 22.90475903
-0.00003208 0.00024404 0.00012606
-0.02165245 -0.01602109 0.03049498
25.79910913 -3.03184286 -8.25759545
0.00025386 0.00008854 -0.00001172
0.00788572 -0.02185132 0.00004606
9.94922565 -13.96885799 -8.66730675
-0.00000242 -0.00011316 -0.00030977
-0.01034175 0.03349112 -0.01119730
-6.63707683 -12.17336919 16.98897909
0.00016978 0.00034067 0.00015803
-0.00769535 -0.00835751 -0.00289415
7.36246934 2.64909877 -29.32750961
-0.00023146 -0.00036377 0.00008247
-0.00965261 0.02571937 0.01489231
10.94358318 15.87179835 15.47710573
-0.00006430 0.00031727 0.00024724
-0.02113036 0.01492545 0.03869391
28.87505332 6.45997633 -3.49280129
0.00016442 0.00016800 -0.00008442
-0.00567174 0.00591280 0.00519323
5.09476525 -32.22540103 -3.65235028
-0.00018830 -0.00019082 -0.00058081
0.01016680 -0.00103943 -0.00432682
4.73683017 -31.89313452 -0.64705205
-0.00006926 -0.00057064 -0.00028770
0.01562612 -0.00219556 0.01928692
-12.46136997 -3.08894247 -9.74571996
-0.00040165 0.00080893 -0.00070321
0.00951620 0.01907778 0.00895070
-11.98104210 -0.53451678 -11.05907379
0.00029631 -0.00027341 0.00000873
-0.00162516 0.00185235 -0.00063746
-38.95720105 2.47423944 1.32349663
-0.00035148 0.00006042 -0.00013440
-0.00161275 -0.00209642 -0.00534203
-37.75840841 3.97690791 -0.96380768
0.00030903 -0.00055636 0.00033074
-0.00208124 -0.01285706 0.01084736
-10.83485393 -5.57617776 3.23573586
-0.00040801 0.00028910 0.00085922
-0.01298538 0.02663167 0.02354842
-10.57635212 -2.87830188 4.61626163
-0.00044727 -0.00030188 0.00056108
-0.00488453 -0.00514412 -0.00810179
4.01997350 -2.35245918 8.42736728
-0.00023519 -0.00101783 -0.00015558
0.00081539 -0.01243452 -0.00343092
3.66272434 -4.36784729 10.46080618
0.00019857 -0.00047824 -0.00023158
0.00268458 0.00168254 -0.01909945
-34.76087302 -0.89041600 0.40089329
-0.00081845 0.00012069 0.00075718
0.01493870 -0.00058139 0.00446354
-33.54943266 1.59232856 -0.02001838
-0.00067385 -0.00042431 -0.00061400
0.01121561 -0.03651392 0.00893914
13.15134264 13.20697992 -14.76910633
-0.00101381 0.00075597 -0.00061297
-0.00527273 0.00457768 -0.02103853
15.83926240 12.31219803 -14.29913034
-0.00136954 -0.00028657 0.00017659
0.03766516 0.00038528 -0.01957717
-7.81407636 7.51564745 1.63099681
0.00043029 -0.00039407 -0.00031001
-0.00833166 0.01242687 -0.00231738
-7.37697885 4.79377091 1.53960044
-0.00018299 0.00070617 0.00143149
0.00269948 -0.00846038 0.00496728
6.20732774 12.29052558 -7.85772277
-0.00002517 -0.00021066 0.00004211
0.00613089 0.00088690 0.01517959
8.49347025 13.52902337 -6.24277894
-0.00059450 0.00016391 -0.00038394
-0.01380171 -0.01956732 -0.01089073
8.95400172 8.12327480 -19.91683391
0.00019352 -0.00018545 0.00047646
0.00566113 -0.00956155 -0.00496726
10.59319529 10.50868721 -18.98322572
-0.00079881 0.00018946 0.00018674
-0.01603200 -0.00776540 -0.01019896
24.29230216 15.91485095 -2.83911114
0.00013627 -0.00057114 -0.00011500
0.00112465 -0.02419038 -0.00089353
24.48118124 18.64227994 -2.94143661
0.00086339 -0.00044875 0.00071126
-0.00538669 0.00480315 0.00490952
1.60972024 16.78315664 -21.34370329
0.00020573 0.00020620 0.00078093
-0.01645272 0.00736638 -0.04585055
3.18797439 15.57968410 -19.45689023
-0.00107100 0.00069308 0.00016214
0.00821114 -0.00359095 0.01126488
13.47868037 -2.01501900 -7.18706211
0.00102591 -0.00036750 -0.00031884
-0.00251017 0.00494069 0.01347865
12.63968820 -0.99005701 -4.58597914
-0.00004225 0.00042404 -0.00046008
-0.00464464 -0.00149146 0.00435543
-17.90666859 -2.20690588 3.49301271
0.00083874 -0.00071902 0.00020572
0.02182809 0.01227020 -0.01144040
-15.18812528 -3.06429518 3.30619355
-0.00012802 -0.00024176 0.00120947
0.00485997 0.01668803 0.00000675
-15.58914506 -0.57404955 19.12414351
0.00135630 -0.00015396 -0.00076922
-0.01010827 -0.03014249 -0.00500980
-14.64242837 -3.35611366 19.65659871
-0.00005593 -0.00056662 -0.00086735
-0.01613897 0.00488220 -0.01230091
-0.38124087 0.56531994 -5.07560114
-0.00112445 0.00021177 -0.00005063
-0.00165956 0.00020551 0.00393928
-0.69485745 3.47899224 -5.07109782
0.00007184 -0.00005857 0.00029403
-0.02210783 0.01941942 -0.00215482
23.86479198 -8.57810252 -9.14110273
-0.00067475 -0.00001848 0.00053528
-0.00452554 0.00712056 0.00775729
23.66499134 -5.67267862 -8.12714424
-0.00077626 0.00023008 -0.00020105
0.00964732 -0.00306574 -0.00400236
-0.59250894 -6.04571221 5.53439676
-0.00030654 0.00038916 -0.00001161
-0.01028820 -0.00393169 -0.01511064
0.84499845 -5.77412983 7.77372520
-0.00046169 0.00105158 -0.00088227
-0.00001773 -0.00284777 0.01566984
-0.29855744 -2.41079985 -19.48050435
0.00049329 -0.00052580 0.00051136
0.01323913 -0.00112565 0.01081258
-2.73624199 -2.35941600 -20.62440095
0.00095472 0.00010019 -0.00010135
-0.01859930 0.00248061 -0.00947333
2.85605968 2.93788643 -10.51711927
-0.00018754 -0.00096222 -0.00079288
-0.00399876 -0.01215177 0.01484867
2.06165812 2.07314801 -7.73223663
0.00048403 0.00077086 0.00081974
-0.01834952 0.01055670 0.02869636
-2.02455797 16.46717846 12.32794544
0.00069877 -0.00079013 -0.00047956
-0.01924601 0.01958224 0.00155959
-2.92665685 18.83229846 13.78665923
0.00055243 0.00059668 -0.00072102
-0.00094030 0.00511586 0.01249932
-5.49948435 6.01531309 -11.81755433
-0.00089914 -0.00028482 -0.00198000
-0.02628743 0.01430164 0.00119711
-3.73661369 3.82990404 -12.45314722
0.00046320 -0.00026418 -0.00092107
0.00281985 0.01131086 0.01104526
-8.15619916 1.24589174 -7.82695216
-0.00069580 0.00095953 -0.00018733
0.00337365 0.00437194 0.00712524
-6.05453533 2.91291387 -8.96009593
0.00119494 0.00016236 0.00051160
-0.00174892 0.00294804 -0.00137929
2.68234195 27.18822342 7.38712556
-0.00096326 -0.00042154 0.00093920
0.00354599 -0.00724277 -0.02904911
1.43512081 29.01711216 9.06306995
-0.00000891 0.00010343 0.00015569
0.00352754 -0.01300304 0.00850582
10.40717068 -6.80325394 -0.30629880
0.00000733 0.00011643 0.00092822
-0.00521187 -0.00129740 -0.00675035
8.16497689 -7.67076036 -1.99520668
-0.00049340 -0.00047240 0.00092464
0.00159195 0.00306186 0.00212979
-7.38512246 -0.06977285 7.34951078
-0.00003033 -0.00011715 0.00082934
0.02163456 -0.00100505 -0.00075358
-10.18397594 0.41862460 7.31260983
0.00058278 -0.00053285 -0.00016912
0.01295515 0.00487544 -0.01915292
20.77697176 11.30329769 10.41676110
-0.00043604 0.00018570 -0.00032186
0.00279557 -0.00046355 0.01111144
20.71662568 12.66691426 7.89665601
0.00134266 0.00067367 -0.00045276
0.00536688 0.01117673 0.00092261
-1.14955251 -3.89969421 -27.03742639
-0.00123796 -0.00021676 -0.00077395
-0.01806631 0.04303279 -0.00111574
-3.28399102 -1.80671884 -26.54836690
0.00012748 -0.00029622 -0.00027193
-0.02822524 -0.00137707 0.02268304
-13.61177464 6.67013513 9.87732335
-0.00059212 -0.00069193 0.00050450
0.00290657 -0.00804341 0.00096153
-14.97968318 7.62337498 7.70204764
0.00069755 0.00047875 0.00104337
-0.00612579 0.00533120 -0.00837386
-11.60756083 7.29966235 -1.90126852
-0.00028904 -0.00085169 -0.00052241
-0.01167256 0.00153654 -0.00764264
-9.13408054 8.16943254 -3.31781569
-0.00083567 0.00064032 0.00009883
-0.00693855 -0.00636154 0.01501470
-0.98078809 -16.48385664 22.42099961
-0.00032186 -0.00022684 0.00009186
0.01673737 -0.04207736 -0.01070690
-3.36127400 -15.48529676 23.74336806
-0.00065270 -0.00067487 0.00076866
0.02153189 0.00444610 -0.01256255
-3.22980361 5.85626747 -7.76101224
-0.00112170 -0.00059598 0.00064346
-0.00211374 0.00197902 -0.01078376
-4.28542247 6.63430339 -5.21748865
0.00046086 0.00034432 -0.00006403
-0.03792753 0.01470879 0.01802315
-21.76030541 29.72567230 2.88888778
-0.00047428 -0.00021348 -0.00061261
-0.01554560 0.00296608 -0.00254450
-21.29792614 31.13209952 5.54742848
-0.00024455 0.00039433 0.00007510
0.00367090 -0.02316517 -0.02756956
7.19776808 0.08734844 5.91764244
-0.00034418 0.00088477 -0.00086523
-0.00261096 -0.00533404 -0.01078568
6.94457168 2.33331360 7.74474948
-0.00058322 0.00025088 -0.00107712
0.00132498 0.01384989 0.00274304
6.96314031 12.29182171 -12.86335084
0.00049851 -0.00092054 0.00008061
0.01721950 0.01649292 0.00682930
5.20031998 11.81553302 -14.97972005
0.00053666 -0.00122832 0.00084974
0.00535084 -0.01436904 0.01656442
14.27023582 4.09971476 -1.96402056
0.00029390 0.00029826 -0.00007595
0.01298817 -0.01204861 -0.00055946
14.83278684 1.36463408 -1.04982552
0.00057968 0.00085016 0.00028894
-0.00139199 -0.00370917 -0.00295066
-3.06851014 11.81897513 -0.22772217
-0.00054336 -0.00088058 0.00002519
-0.00494320 -0.00347119 0.00786989
-5.94680535 12.81509942 0.36493222
-0.00021840 -0.00054872 -0.00056843
0.02216467 -0.00663163 -0.00487721
3.27270976 11.45346712 2.30768688
0.00006619 -0.00081778 0.00012757
0.03332370 0.02010952 0.01069846
6.16136417 11.56889104 2.87173806
0.00068587 0.00013057 -0.00049292
0.02651971 -0.01701675 0.00589869
25.29210802 -12.94900981 -8.80824934
-0.00003019 -0.00066847 -0.00012298
-0.01100970 0.00937633 0.01315099
25.80948040 -11.74523456 -11.27757197
-0.00049664 -0.00077975 -0.00075490
0.00690029 0.01177587 -0.01436719
15.86394088 -2.80183472 0.58753658
0.00005495 0.00002143 -0.00042880
0.01575189 -0.00379683 -0.02704422
16.83619716 -5.19762852 -0.73551427
0.00025185 0.00078663 -0.00020867
0.01056964 0.02599105 -0.00644713
12.43618702 8.09182338 11.61672081
0.00055822 0.00004332 0.00108780
0.00129873 0.00276363 -0.00011702
14.06487636 9.22055991 9.38808131
0.00125769 -0.00090800 0.00016138
-0.00627584 0.00957202 0.00702238
0.18832538 -14.54461513 17.20182223
0.00022028 0.00065016 -0.00002832
-0.02191675 -0.00155843 0.00180626
2.01329555 -12.74732969 18.86260494
-0.00019586 -0.00015997 -0.00036724
-0.01236639 -0.00784005 -0.01708459
-3.54231653 -1.43588772 -12.44516751
0.00048063 0.00082931 0.00009780
-0.00018529 -0.01415405 0.01738430
-2.41065104 -1.83310954 -15.09453334
0.00065536 0.00018534 0.00009091
-0.03417162 0.02893861 0.01987170
14.46575409 -8.07422878 -10.62361739
-0.00078924 -0.00053197 0.00016670
0.01431914 0.00242188 0.02687612
16.35752315 -6.42862275 -9.06382116
0.00085825 0.00025916 -0.00001099
0.02315037 0.02103221 -0.00409359
7.18993562 -5.41792228 8.85162976
0.00095737 0.00026891 0.00030939
0.00706623 -0.00883037 -0.00762097
9.83871253 -6.47297742 8.00985517
-0.00073589 0.00069672 0.00009635
0.01257823 0.01309714 -0.01880252
-20.82029255 2.15534413 21.18359120
0.00063169 0.00010756 0.00000275
0.00625926 0.00097364 -0.03545894
-22.32245644 1.11715357 23.33050122
0.00049734 0.00004709 -0.00102103
0.01275611 0.02140863 0.00574955
27.11221211 -2.82108743 -7.00909424
0.00047008 -0.00027990 -0.00035441
0.00472725 -0.00528942 0.00894698
25.68126980 -1.37229936 -8.99103519
-0.00000821 0.00019910 -0.00012009
-0.01040004 0.01522064 -0.00372211
9.92403089 -15.46462071 -7.75704332
-0.00025899 0.00023421 0.00027254
0.00128088 -0.03948285 0.01899530
9.00322115 -12.78390981 -7.59004278
-0.00068175 0.00014534 -0.00119599
0.00406483 0.00401681 -0.00476345
-5.73697489 -11.31023942 18.31724105
-0.00029435 -0.00005795 -0.00055951
0.00324970 0.01056489 0.00279081
-6.71937256 -11.04022748 15.53891589
0.00009261 0.00040416 0.00011510
0.00103243 0.00140482 0.00637130
8.86187194 1.73971213 -29.57882522
-0.00039213 0.00041664 -0.00051405
0.02050521 -0.01982749 -0.00826384
6.00161162 1.91826727 -30.32170822
0.00025798 -0.00148871 -0.00035650
-0.00213671 0.00130424 -0.00081774
12.52339699 15.47936535 14.67892949
-0.00151332 0.00114518 0.00003960
0.02325474 -0.01228223 -0.01798730
11.50718762 16.35127786 17.19619958
-0.00093628 0.00010062 -0.00063765
-0.01666112 -0.00649445 -0.01719767
29.04758228 5.32249911 -4.91199209
0.00046670 -0.00001409 0.00030372
0.00487096 -0.01196745 -0.00510560
27.16374287 7.12510744 -3.79073997
-0.00021338 0.00062322 0.00040244
0.00427296 -0.00360277 0.00259603
-9.94649338 5.15945457 6.38745253
0.00002597 0.00029152 -0.00013920
0.00029615 -0.00145403 0.00637127
-8.90605865 13.37823090 2.62738891
-0.00013419 0.00000723 0.00005789
-0.00034930 -0.00051706 0.00142029
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09477644
0.32870935
437.98873312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4178798379 (a.u.)
total exchange computation time: 2.6656119823 s
-154.2585303191
-931.42166709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4172910407 (a.u.)
total exchange computation time: 2.6655368805 s
-154.2640509499
Anderson extrapolation: theta=1.3613886984 (1.3613886984)
-931.42187445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4163825468 (a.u.)
total exchange computation time: 2.6647980213 s
-154.2723246890
Anderson extrapolation: theta=0.0564163449 (0.0564163449)
-931.42200134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4162489991 (a.u.)
total exchange computation time: 2.6657848358 s
-154.2734118042
Anderson extrapolation: theta=2.0819766888 (2.0000000000)
-931.42200677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4159627066 (a.u.)
total exchange computation time: 2.6651430130 s
-154.2756790778
Anderson extrapolation: theta=0.2785030515 (0.2785030515)
-931.42201291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4158851167 (a.u.)
total exchange computation time: 2.6652891636 s
-154.2762402260
Anderson extrapolation: theta=1.6037466523 (1.6037466523)
-931.42201419
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4157892159 (a.u.)
total exchange computation time: 2.6659948826 s
-154.2768722032
Anderson extrapolation: theta=0.3472018776 (0.3472018776)
-931.42201546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4157845828 (a.u.)
total exchange computation time: 2.6671171188 s
-154.2768341794
Anderson extrapolation: theta=1.0990792978 (1.0990792978)
-931.42201576
-163.585956 69.134653 97.573815
560.944578 1031.486919 -409.131319
397.358621 1100.621572 -311.557504
1210.921053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4158006500 (a.u.)
total exchange computation time: 2.6672410965 s
679.44187658
-1085.11599962
89.83853009
-388.22365237
-174.94696991
78.99264475
551.60419304
0.00000000
-931.42201589
4.04805937 -31.63418853 -2.28142275
-0.00014581 -0.00040816 -0.00025961
-0.02700251 0.00851493 -0.03285593
-11.75282623 -1.37752355 -9.46499648
-0.00039249 0.00010551 -0.00027261
-0.01078080 -0.02250760 -0.00761193
-37.52373164 2.50936642 0.18660196
0.00007438 0.00039527 -0.00026547
0.00283372 0.01775585 -0.00989337
-11.80590966 -4.17763310 4.15950211
-0.00000374 0.00004597 0.00022087
0.01317118 -0.01934018 -0.00629241
3.90374121 -4.19553447 8.57855632
-0.00024062 -0.00007632 -0.00035389
-0.00333899 0.00656396 0.03069356
-33.03932421 -0.22998106 0.26009556
-0.00059799 0.00027905 0.00036085
-0.02593911 0.03356253 -0.01350863
14.27286164 12.54382185 -13.54322286
0.00017739 0.00009929 0.00002032
-0.04578920 0.00526050 0.03014723
-7.73152089 6.11699693 2.77644501
0.00013224 -0.00003079 0.00002104
0.00821671 0.00256070 0.00702033
7.23040373 12.05655433 -6.32444680
0.00000542 -0.00020351 -0.00036228
0.01353858 0.02158691 -0.00835940
8.87874938 9.75842462 -19.19784707
0.00020871 -0.00038223 -0.00013618
0.00145658 0.01751584 0.01510050
23.22418945 17.35093335 -2.53791705
0.00021730 0.00004037 -0.00036320
0.01673692 0.00557610 -0.00359165
2.00245064 16.96261278 -19.63469788
-0.00012105 0.00009584 0.00001040
0.00269503 0.00673585 0.04559851
14.02432914 -0.97803422 -5.74754684
-0.00004100 -0.00033335 0.00021009
0.00903479 -0.01829364 -0.01067083
-16.18689014 -1.48920390 3.20709666
-0.00032071 -0.00024880 0.00008452
-0.01906136 -0.03214900 0.01483499
-15.95747017 -2.39571514 18.71894703
0.00035537 -0.00016092 -0.00006128
0.01717141 0.02608212 0.01292655
0.42945687 2.17065028 -4.59746865
0.00006772 0.00013220 0.00008371
0.02281167 -0.02397541 -0.00436670
22.76653774 -7.11457880 -8.80925697
0.00015216 -0.00004406 0.00001634
-0.01003956 -0.00177560 -0.00251944
-0.79623114 -6.46622198 7.28923882
-0.00002979 -0.00012549 -0.00008376
0.01084624 0.01336286 -0.00978730
-1.82482450 -1.43536850 -19.34488455
-0.00015419 -0.00009498 -0.00009303
0.01621764 -0.00420478 -0.00106825
3.00966962 1.61649443 -9.17355234
-0.00029298 0.00014060 -0.00000272
0.01342367 0.01356329 -0.04823815
-3.45076732 17.75835400 12.41712338
0.00028245 0.00019018 0.00023334
0.01651410 -0.02387056 -0.01976554
-3.93860327 5.29300275 -11.31690135
0.00006255 0.00035378 0.00002399
0.02190769 -0.02985358 -0.01469928
-7.86165267 2.71036944 -8.89241989
-0.00010928 -0.00006290 -0.00006875
0.00509872 0.01295327 -0.01521133
2.56475259 27.54931475 9.12819230
0.00015267 0.00001387 0.00035951
-0.01392322 0.01955132 0.02877846
9.28797883 -6.26555944 -1.67835310
-0.00029171 0.00007859 0.00010696
0.00663052 -0.00580028 0.01155426
-8.64286249 0.67583250 6.27521240
-0.00010513 -0.00012097 0.00024214
-0.02849839 -0.00516216 0.01876022
20.55002880 11.01033136 8.65347745
0.00000338 0.00005421 -0.00011918
-0.00651279 -0.01261795 -0.01779558
-1.96102683 -2.22619979 -27.64913595
0.00004639 -0.00010438 -0.00010214
0.03764144 -0.03354633 -0.01888889
-14.01539085 6.14762042 8.16867400
0.00039719 -0.00001792 0.00026203
0.00514351 0.00339011 0.00711226
-9.80924947 7.20358299 -1.82632854
-0.00023609 -0.00008630 0.00047847
0.01860684 0.01019503 -0.02174418
-1.79578608 -14.96785553 22.82768101
0.00005238 0.00043849 -0.00070187
-0.04868656 0.02647928 0.02346706
-2.79653897 6.18908095 -6.02152444
0.00002008 -0.00029226 0.00009981
0.04619845 -0.01747632 -0.01405981
-20.58454011 29.91251750 4.27283217
-0.00024943 -0.00046308 0.00026011
0.00950717 0.03017130 0.03523913
7.87558054 0.81490387 7.46478552
0.00039726 0.00041255 0.00015002
0.00238269 -0.00947057 0.00404102
5.86825438 10.97370085 -13.44836457
0.00012752 -0.00035825 -0.00032458
-0.01465817 -0.00622033 -0.02926221
15.65730909 2.92785996 -1.48178808
-0.00001949 0.00021336 0.00046849
-0.01008006 0.02455284 0.00153986
-4.43589015 12.87097344 -0.77767633
0.00003636 -0.00036224 -0.00007391
-0.01526971 0.00845468 -0.00838225
4.78620972 12.64490705 2.40953586
-0.00009616 0.00020301 -0.00015902
-0.05662287 -0.01904960 0.00551852
24.96217601 -11.37276796 -9.69210115
-0.00026597 0.00020553 0.00044959
0.01091401 -0.02956681 0.00286985
17.05528691 -3.30758237 -0.80161463
0.00032220 0.00025670 0.00004334
-0.02604520 -0.02319735 0.03362843
13.63267198 7.68032664 10.25938003
0.00046237 -0.00033886 -0.00024733
0.00445311 -0.01726739 -0.00993711
1.88791179 -14.00244521 17.49384783
0.00041255 0.00009959 -0.00004305
0.03191939 0.01334017 0.01195393
-3.61197394 -0.71182901 -14.08230873
0.00012929 -0.00009105 0.00030141
0.02707543 -0.01294890 -0.03789239
15.05127181 -7.66147731 -8.85595726
0.00011164 -0.00036266 -0.00010703
-0.02604888 -0.02626732 -0.02263753
8.41848716 -6.79744177 9.02601654
0.00008381 0.00037523 0.00018316
-0.02070885 -0.00621814 0.02691594
-21.09873552 2.50982429 22.90676758
-0.00004268 0.00023603 0.00014069
-0.01956206 -0.01509886 0.02639183
25.80294751 -3.03059901 -8.25777107
0.00025772 0.00007750 -0.00001209
0.00712414 -0.02110800 -0.00147762
9.94914943 -13.97042622 -8.67199645
-0.00000768 -0.00009624 -0.00031551
-0.01012186 0.03232246 -0.01114825
-6.63455982 -12.16829140 16.99133844
0.00016489 0.00033556 0.00015506
-0.01131881 -0.01150482 -0.00865576
7.35896021 2.64374148 -29.32621509
-0.00023763 -0.00035058 0.00008984
-0.01434611 0.02555734 0.01375679
10.94253716 15.87661497 15.48096362
-0.00007797 0.00032496 0.00026635
-0.03203499 0.01497123 0.03561851
28.87749774 6.46251912 -3.49404757
0.00016103 0.00017151 -0.00008153
-0.00749408 0.00774216 0.00604204
5.09225227 -32.22829524 -3.66119498
-0.00014806 -0.00019437 -0.00059621
0.00953033 -0.00069828 -0.00321511
4.73627006 -31.90176144 -0.65077649
-0.00000596 -0.00057936 -0.00020965
0.01536031 -0.00206924 0.01891961
-12.46710308 -3.07622395 -9.75599378
-0.00036565 0.00087905 -0.00066671
0.00810497 0.01524902 0.00891492
-11.97664729 -0.53856110 -11.05896242
0.00028902 -0.00026088 -0.00000084
-0.00194142 0.00428010 -0.00404390
-38.96252272 2.47508150 1.32131696
-0.00035294 0.00005225 -0.00016045
0.00090025 -0.00190395 -0.00741086
-37.75383679 3.96816853 -0.95851416
0.00029838 -0.00059749 0.00036654
-0.00313203 -0.00727626 0.00667633
-10.84137193 -5.57102524 3.24934581
-0.00045716 0.00039277 0.00095142
-0.01107384 0.02411913 0.02158188
-10.58321082 -2.88298767 4.62442961
-0.00046247 -0.00031817 0.00052941
-0.00255749 -0.00282962 -0.00740315
4.01647067 -2.36810766 8.42492851
-0.00023103 -0.00105421 -0.00017079
0.00121803 -0.00537524 -0.00401648
3.66578513 -4.37496937 10.45674727
0.00020932 -0.00047107 -0.00031058
0.00258069 0.00182925 -0.01957181
-34.77269204 -0.88862350 0.41238780
-0.00075377 0.00011942 0.00077503
0.01672538 -0.00003774 0.00427386
-33.55919677 1.58484496 -0.02895448
-0.00062910 -0.00056693 -0.00057782
0.01068894 -0.03329961 0.00877056
13.13597385 13.21845976 -14.77894559
-0.00101876 0.00076479 -0.00068159
0.00285036 -0.00026051 -0.01255156
15.81987342 12.30791132 -14.29708145
-0.00119113 -0.00028843 0.00008382
0.04967041 -0.00129642 -0.02583094
-7.80787726 7.51011717 1.62627562
0.00039578 -0.00034177 -0.00031968
-0.00856441 0.01317661 -0.00241418
-7.37964098 4.80410414 1.56122506
-0.00016810 0.00065473 0.00143736
0.00458868 -0.01671811 -0.00209609
6.20713798 12.28739281 -7.85662604
-0.00000344 -0.00020666 0.00010005
0.00450855 0.00107124 0.01318406
8.48412987 13.53088245 -6.24887171
-0.00064962 0.00008415 -0.00042760
-0.01318150 -0.01947502 -0.01048373
8.95707800 8.12020001 -19.90983916
0.00021775 -0.00023072 0.00045327
0.00619726 -0.01259707 -0.00638753
10.58072188 10.51129119 -18.98073722
-0.00085594 0.00015974 0.00014551
-0.01193341 -0.00678594 -0.00998224
24.29438070 15.90554255 -2.84086357
0.00013669 -0.00066417 -0.00011740
-0.00092126 -0.02134710 -0.00027884
24.49396708 18.63569585 -2.93061719
0.00084216 -0.00042770 0.00072986
-0.00500535 0.00550054 0.00419477
1.61230208 16.78647541 -21.33339437
0.00013486 0.00023515 0.00057893
-0.01824173 0.00680234 -0.05302830
3.17216098 15.58997033 -19.45411298
-0.00102693 0.00066606 0.00021052
0.01336363 -0.00963693 0.01242044
13.49399216 -2.02038004 -7.19143166
0.00101489 -0.00034603 -0.00026124
-0.00288508 0.00556688 0.01471416
12.63891215 -0.98374206 -4.59274688
-0.00006705 0.00041669 -0.00043888
-0.00749807 -0.00210688 0.00602062
-17.89341868 -2.21731522 3.49574800
0.00091590 -0.00067129 0.00016051
0.01594305 0.01109521 -0.01069026
-15.18989673 -3.06741021 3.32433574
-0.00010739 -0.00017158 0.00120845
0.00523951 0.01766738 -0.00050214
-15.56911036 -0.57728259 19.11245168
0.00131448 -0.00027760 -0.00078939
-0.01036124 -0.03038252 -0.00486058
-14.64376194 -3.36446338 19.64321153
-0.00011693 -0.00054930 -0.00091363
-0.01371885 0.00359547 -0.01035176
-0.39815854 0.56850282 -5.07623993
-0.00112643 0.00021682 -0.00003257
0.00069059 0.00226551 0.00490167
-0.69445737 3.47870877 -5.06675341
-0.00001949 0.00002393 0.00028494
-0.02259687 0.02096423 -0.00229245
23.85453211 -8.57816154 -9.13283584
-0.00068726 0.00000513 0.00056562
-0.00160115 0.00443742 0.00709542
23.65364302 -5.66932135 -8.13028256
-0.00073309 0.00022041 -0.00021531
0.01148651 -0.00167077 -0.00298274
-0.59742235 -6.03999534 5.53375950
-0.00035014 0.00037196 -0.00007346
-0.01105406 -0.00448820 -0.01516434
0.83807258 -5.75844346 7.76097136
-0.00045890 0.00103996 -0.00081573
0.00138433 -0.00283680 0.01689874
-0.29075236 -2.41872141 -19.47250256
0.00053725 -0.00052363 0.00055647
0.00827608 0.00219061 0.01126944
-2.72249109 -2.35783708 -20.62621148
0.00087332 0.00010557 -0.00014676
-0.02124623 0.00015074 -0.01275602
2.85312408 2.92308070 -10.52855742
-0.00020472 -0.00100840 -0.00073215
-0.00441401 -0.01045025 0.01487664
2.06835632 2.08503446 -7.71906124
0.00041311 0.00081275 0.00093002
-0.01636653 0.00994938 0.02528589
-2.01466615 16.45592656 12.32079989
0.00061405 -0.00070307 -0.00047084
-0.02222421 0.02303263 0.00270550
-2.91839917 18.84140537 13.77622697
0.00055088 0.00061972 -0.00066584
0.00018084 0.00616483 0.01450874
-5.51377697 6.01147897 -11.84721772
-0.00098981 -0.00023311 -0.00196775
-0.01809816 0.01101184 0.00480241
-3.72957928 3.82628797 -12.46662486
0.00047440 -0.00020762 -0.00086649
0.00266463 0.01637644 0.01567299
-8.16653274 1.26041867 -7.82954383
-0.00068280 0.00096756 -0.00015183
0.00298908 -0.00044011 0.01025629
-6.03666489 2.91543961 -8.95246415
0.00116743 0.00017161 0.00050665
-0.01171709 0.00158032 -0.00104591
2.66800165 27.18167838 7.40032345
-0.00094807 -0.00045374 0.00081107
0.00389302 -0.00852113 -0.03367313
1.43509519 29.01826512 9.06566598
0.00000664 0.00004881 0.00019119
0.00408657 -0.01373034 0.00887219
10.40712098 -6.80154723 -0.29258242
-0.00001977 0.00011437 0.00089265
-0.00805817 0.00028821 -0.01065950
8.15762465 -7.67775253 -1.98127186
-0.00048340 -0.00045507 0.00093401
0.00330233 0.00542003 0.00245874
-7.38491452 -0.07156090 7.36192771
0.00005412 -0.00011830 0.00082151
0.01970719 0.00044387 -0.00307503
-10.17483719 0.41078123 7.30948606
0.00062652 -0.00051330 -0.00024221
0.00845534 0.00469262 -0.01662308
20.77051681 11.30606900 10.41227366
-0.00042436 0.00018421 -0.00027267
0.00292221 -0.00026498 0.01296836
20.73693000 12.67736174 7.88989285
0.00136274 0.00070851 -0.00044397
0.00446520 0.00587723 0.00338141
-1.16867558 -3.90162690 -27.04906983
-0.00130725 -0.00004543 -0.00077678
-0.01584944 0.04083074 -0.00026722
-3.28294368 -1.81120430 -26.55175078
0.00000943 -0.00030077 -0.00017777
-0.02956464 -0.00085330 0.02341073
-13.62056733 6.65950972 9.88492028
-0.00057847 -0.00072514 0.00051134
0.00377248 -0.00821508 0.00238951
-14.96940762 7.63071965 7.71744157
0.00067254 0.00049988 0.00100794
-0.00611695 0.00501063 -0.00896750
-11.61225409 7.28693411 -1.90933882
-0.00033639 -0.00084611 -0.00055236
-0.01150558 0.00119621 -0.00702168
-9.14682816 8.17884247 -3.31587316
-0.00086381 0.00061108 0.00016456
-0.00683873 -0.00795351 0.01716331
-0.98510317 -16.48854859 22.42204945
-0.00025477 -0.00039434 0.00004880
0.01610353 -0.03991386 -0.01037198
-3.37040470 -15.49528360 23.75451301
-0.00054981 -0.00064976 0.00070798
0.02883469 0.00784707 -0.01713905
-3.24669391 5.84738843 -7.75169074
-0.00112929 -0.00058825 0.00059629
-0.00159977 0.00180493 -0.01230946
-4.27967174 6.63991893 -5.21789687
0.00030260 0.00040636 0.00001319
-0.03954586 0.01565911 0.01978003
-21.76789598 29.72256095 2.87962061
-0.00053051 -0.00019970 -0.00061454
-0.01198060 0.00378075 0.00159918
-21.30148196 31.13730456 5.54771011
-0.00022825 0.00029666 -0.00003998
0.00431091 -0.02464526 -0.02876367
7.19252543 0.10045661 5.90433345
-0.00034823 0.00086567 -0.00089761
0.00062774 -0.00401632 -0.00506175
6.93586404 2.33750114 7.72867666
-0.00057503 0.00030578 -0.00106385
0.00268125 0.01302854 0.00375656
6.97114559 12.27851901 -12.86193238
0.00056762 -0.00085363 0.00010813
0.01661188 0.01625827 0.00663992
5.20853381 11.79666798 -14.96646631
0.00055162 -0.00127715 0.00089963
0.00197548 -0.00953440 0.00785525
14.27504228 4.10381950 -1.96517695
0.00034635 0.00024897 -0.00007753
0.01268843 -0.01208055 -0.00021656
14.84143941 1.37727281 -1.04558178
0.00056746 0.00082319 0.00028015
-0.00459303 -0.00949229 -0.00135526
-3.07681199 11.80565999 -0.22710310
-0.00056215 -0.00089582 0.00005757
-0.00425735 -0.00398775 0.00797771
-5.94940215 12.80666546 0.35625628
-0.00012874 -0.00057539 -0.00058766
0.02172676 -0.00642378 -0.00453367
3.27472372 11.44181665 2.30992822
0.00020527 -0.00073222 0.00017123
0.03476009 0.02177173 0.01067259
6.17246480 11.57032810 2.86452501
0.00078672 0.00006672 -0.00047122
0.02285189 -0.01423751 0.00472388
25.29131773 -12.95874952 -8.80969106
-0.00007672 -0.00062360 -0.00007200
-0.01176266 0.01258623 0.01180408
25.80224223 -11.75656996 -11.28933580
-0.00047653 -0.00072699 -0.00079850
0.00294646 0.01405223 -0.00697405
15.86524782 -2.80162956 0.58027584
0.00011764 0.00000755 -0.00053648
0.01493711 -0.00300128 -0.02566637
16.84029881 -5.18503270 -0.73884191
0.00029447 0.00088589 -0.00023500
0.01029184 0.02259748 -0.00644286
12.44460011 8.09255788 11.63303428
0.00057147 0.00005194 0.00107694
0.00518570 0.00145353 -0.00520156
14.08354937 9.20723318 9.39071719
0.00123323 -0.00086226 0.00018705
-0.00569698 0.01281771 0.00554267
0.19095794 -14.53491049 17.20145280
0.00013203 0.00064298 -0.00002189
-0.02127859 -0.00195484 0.00134118
2.00997875 -12.74996944 18.85657282
-0.00024461 -0.00018701 -0.00043200
-0.01149615 -0.00539663 -0.01461591
-3.53511272 -1.42388183 -12.44316778
0.00048057 0.00076775 0.00017650
0.00015694 -0.01598051 0.02113809
-2.40186774 -1.82944263 -15.09256071
0.00051374 0.00030432 0.00017377
-0.03515047 0.02929970 0.02068826
14.45435422 -8.08213417 -10.62029338
-0.00072837 -0.00052085 0.00027630
0.01547884 0.00302461 0.02677639
16.37110630 -6.42409090 -9.06411149
0.00094098 0.00033419 -0.00002758
0.01734598 0.01569939 -0.00402638
7.20451277 -5.41415926 8.85603702
0.00097905 0.00023861 0.00027834
0.00354203 -0.00600122 -0.00757457
9.82805956 -6.46212527 8.01072427
-0.00067586 0.00075082 0.00001418
0.01680675 0.01338265 -0.02142323
-20.81062537 2.15698737 21.18254592
0.00065712 0.00011362 -0.00013677
0.00618631 0.00199361 -0.03283690
-22.31460539 1.11851602 23.31536194
0.00054529 0.00013063 -0.00099449
0.01071558 0.01948409 0.00724388
27.11940811 -2.82544799 -7.01413630
0.00049008 -0.00030073 -0.00031691
0.00506601 -0.00490972 0.00941075
25.68082793 -1.36884647 -8.99295053
-0.00005028 0.00025892 -0.00013332
-0.01019126 0.01406127 -0.00275812
9.92018523 -15.46231743 -7.75237320
-0.00025388 0.00007508 0.00034938
0.00122351 -0.03841376 0.01862059
8.99311945 -12.78160659 -7.60812864
-0.00066465 0.00016201 -0.00121462
0.00430571 0.00414114 -0.00435276
-5.74129052 -11.31078492 18.30893390
-0.00027375 -0.00000806 -0.00053709
0.00683275 0.01385441 0.00818559
-6.71795178 -11.03412205 15.54083758
0.00009667 0.00040950 0.00014141
0.00095539 0.00121210 0.00651076
8.85661828 1.74535419 -29.58678927
-0.00030083 0.00033270 -0.00054827
0.02418698 -0.02126502 -0.00848333
6.00541586 1.89597664 -30.32708084
0.00025152 -0.00147951 -0.00035682
-0.00102372 0.00319501 0.00066416
12.50140975 15.49616664 14.67897234
-0.00140132 0.00109086 -0.00004169
0.03157219 -0.01430676 -0.02180708
11.49263286 16.35258818 17.18610781
-0.00099861 0.00007795 -0.00069346
-0.01384912 -0.00460286 -0.01011955
29.05473205 5.32192102 -4.90759272
0.00048471 -0.00006324 0.00028132
0.00394444 -0.01208962 -0.00585799
27.16067306 7.13434531 -3.78462385
-0.00019017 0.00060502 0.00041226
0.00709162 -0.00530436 0.00221237
-9.94610298 5.16382343 6.38538164
0.00002605 0.00029098 -0.00013689
0.00010334 -0.00154321 0.00653598
-8.90807213 13.37833850 2.62825977
-0.00013429 0.00000713 0.00005823
-0.00054075 -0.00039762 0.00146058
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09435101
0.32766488
436.59702290
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4242227144 (a.u.)
total exchange computation time: 2.6665518284 s
-154.2822380436
-931.41939948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4235120836 (a.u.)
total exchange computation time: 2.6635901928 s
-154.2884484525
Anderson extrapolation: theta=1.3588265289 (1.3588265289)
-931.41960892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4224065812 (a.u.)
total exchange computation time: 2.6649339199 s
-154.2977704184
Anderson extrapolation: theta=0.0563927579 (0.0563927579)
-931.41973711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4222350124 (a.u.)
total exchange computation time: 2.6672079563 s
-154.2990159647
Anderson extrapolation: theta=2.0792790293 (2.0000000000)
-931.41974278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4218589478 (a.u.)
total exchange computation time: 2.6666100025 s
-154.3016438603
Anderson extrapolation: theta=0.2733250536 (0.2733250536)
-931.41974953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4217486272 (a.u.)
total exchange computation time: 2.6662609577 s
-154.3023208034
Anderson extrapolation: theta=1.5676580161 (1.5676580161)
-931.41975104
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4216004417 (a.u.)
total exchange computation time: 2.6672320366 s
-154.3031244939
Anderson extrapolation: theta=0.3305871337 (0.3305871337)
-931.41975274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4215780586 (a.u.)
total exchange computation time: 2.6671531200 s
-154.3031389648
Anderson extrapolation: theta=1.0865849696 (1.0865849696)
-931.41975322
-208.015016 69.170902 97.549756
560.945298 1031.474518 -409.133070
352.930281 1100.645421 -311.583314
1197.106632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4215747782 (a.u.)
total exchange computation time: 2.6656939983 s
679.52770623
-1085.31414084
89.83683507
-388.08659163
-174.96198764
79.10330957
551.60419304
0.00000000
-931.41975359
4.04576805 -31.64027812 -2.28544359
-0.00015933 -0.00040392 -0.00027646
-0.02556482 0.00796484 -0.03267770
-11.75875522 -1.37602775 -9.46911493
-0.00039751 0.00009453 -0.00027564
-0.00871761 -0.02019965 -0.00418749
-37.52260494 2.51536390 0.18258174
0.00007545 0.00040273 -0.00026876
0.00129716 0.01125993 -0.00289428
-11.80591490 -4.17701821 4.16279092
0.00000180 0.00003623 0.00021805
0.00834976 -0.01853322 -0.00469208
3.90011908 -4.19665398 8.57336637
-0.00024246 -0.00007486 -0.00033796
-0.00383446 -0.00086849 0.03123073
-33.04839414 -0.22566591 0.26545620
-0.00061143 0.00029510 0.00035403
-0.02631698 0.02886896 -0.01302770
14.27534582 12.54533146 -13.54280180
0.00014922 0.00010354 0.00003516
-0.06374224 0.01129135 0.02758445
-7.72950556 6.11654496 2.77678770
0.00013597 -0.00002732 0.00002650
0.00629171 0.01092593 0.01420628
7.23053718 12.05358493 -6.32991318
0.00001255 -0.00019260 -0.00036611
0.01419673 0.02083725 -0.00655498
8.88188558 9.75275871 -19.19983158
0.00020812 -0.00037284 -0.00012822
-0.00374054 0.01898866 0.01586325
23.22751348 17.35156042 -2.54337888
0.00022634 0.00004223 -0.00036496
0.01843802 0.00165887 -0.00326769
2.00064527 16.96407638 -19.63436604
-0.00012063 0.00010090 0.00003480
-0.00105310 0.01292301 0.04929117
14.02374907 -0.98310501 -5.74443665
-0.00003556 -0.00034263 0.00020400
0.01210002 -0.01779923 -0.01301407
-16.19177429 -1.49305994 3.20842167
-0.00032888 -0.00026499 0.00009201
-0.01271621 -0.03079365 0.01431229
-15.95207341 -2.39802838 18.71807770
0.00036350 -0.00014723 -0.00005526
0.01445182 0.02718063 0.01046882
0.43056062 2.17254083 -4.59622978
0.00007891 0.00011917 0.00008117
0.02072216 -0.02671405 -0.00552276
22.76878148 -7.11524657 -8.80902159
0.00014577 -0.00004447 0.00001494
-0.01481303 0.00019052 -0.00291918
-0.79663618 -6.46805278 7.28794472
-0.00002431 -0.00011850 -0.00008913
0.01047026 0.01382838 -0.01110274
-1.82707481 -1.43680941 -19.34628405
-0.00014402 -0.00009740 -0.00009285
0.02332054 -0.00520321 0.00174534
3.00532677 1.61865580 -9.17377928
-0.00028664 0.00014721 -0.00002621
0.01119488 0.01212451 -0.04310201
-3.44646688 17.76111461 12.42054729
0.00029124 0.00017684 0.00022250
0.01766010 -0.02798876 -0.02239403
-3.93758059 5.29819422 -11.31659825
0.00007170 0.00033809 0.00001452
0.01369512 -0.03112435 -0.02211307
-7.86327214 2.70947589 -8.89350987
-0.00010422 -0.00005479 -0.00007748
0.01457193 0.01857358 -0.01871620
2.56698896 27.54959815 9.13369593
0.00014540 0.00002426 0.00037495
-0.01434673 0.02087606 0.03125400
9.28362876 -6.26440302 -1.67670406
-0.00028804 0.00007462 0.00011371
0.00763766 -0.00963264 0.01466502
-8.64454934 0.67399809 6.27891690
-0.00011787 -0.00012388 0.00025165
-0.02103496 -0.00616970 0.01821047
20.55005430 11.01109589 8.65162115
0.00000025 0.00004901 -0.00012929
-0.00564407 -0.00763291 -0.02154494
-1.96018583 -2.22789494 -27.65074097
0.00006509 -0.00012073 -0.00011200
0.03508430 -0.03003749 -0.01945238
-14.00941323 6.14736468 8.17263196
0.00039953 -0.00001597 0.00026540
0.00398283 0.00419333 0.00597491
-9.81271911 7.20232780 -1.81923531
-0.00022679 -0.00008061 0.00046667
0.01757729 0.01194059 -0.02415568
-1.79518823 -14.96117601 22.81724353
0.00002627 0.00045030 -0.00068897
-0.05285249 0.01942440 0.02667537
-2.79605952 6.18462958 -6.02008152
0.00004362 -0.00030126 0.00009273
0.04531319 -0.01750124 -0.01348903
-20.58824493 29.90568775 4.27686981
-0.00024563 -0.00044756 0.00027726
0.00527170 0.03017073 0.03143401
7.88154863 0.82105562 7.46705143
0.00039722 0.00040759 0.00015039
-0.00254899 -0.00981249 -0.00260014
5.87011068 10.96830304 -13.45334615
0.00012127 -0.00036263 -0.00033697
-0.00965555 -0.01079844 -0.01893485
15.65697784 2.93115500 -1.47475474
-0.00002366 0.00022732 0.00046880
-0.00611762 0.02975451 -0.00033075
-4.43540371 12.86557244 -0.77881729
0.00002860 -0.00035784 -0.00007836
-0.01490427 0.00867194 -0.00891456
4.78454897 12.64787877 2.40717190
-0.00012426 0.00019203 -0.00015581
-0.05266711 -0.02364419 0.00694549
24.95822856 -11.36979904 -9.68534630
-0.00025918 0.00018901 0.00044954
0.01548031 -0.03466466 -0.00304331
17.06001950 -3.30382142 -0.80083477
0.00030923 0.00024558 0.00006007
-0.02440926 -0.02004295 0.03140491
13.63962473 7.67517716 10.25563181
0.00046349 -0.00034815 -0.00025088
-0.00008742 -0.01888194 -0.00390084
1.89422317 -14.00089984 17.49324814
0.00042830 0.00010573 -0.00003755
0.02934510 0.01051249 0.00944177
-3.60993008 -0.71324463 -14.07793368
0.00014316 -0.00009723 0.00028112
0.02682363 -0.01112043 -0.04103198
15.05284587 -7.66701856 -8.85765008
0.00009961 -0.00037474 -0.00011848
-0.02071380 -0.02070979 -0.02185642
8.41966445 -6.79183735 9.02886773
0.00007334 0.00037114 0.00019750
-0.02000200 -0.00967868 0.02885229
-21.09945111 2.51330657 22.90897974
-0.00005202 0.00022859 0.00015287
-0.01679142 -0.01383304 0.02098526
25.80684085 -3.02951800 -8.25795810
0.00026122 0.00006695 -0.00001323
0.00646083 -0.01988755 -0.00296451
9.94899512 -13.97174509 -8.67677216
-0.00001282 -0.00008035 -0.00032099
-0.00983361 0.02947434 -0.01016115
-6.63213013 -12.16330237 16.99363101
0.00015818 0.00032885 0.00014921
-0.01476546 -0.01458387 -0.01412254
7.35534042 2.63858135 -29.32481443
-0.00024590 -0.00033768 0.00009657
-0.01782981 0.02459569 0.01241027
10.94124400 15.88154710 15.48509629
-0.00009710 0.00033251 0.00028352
-0.04235688 0.01440841 0.03115003
28.87988434 6.46512163 -3.49524724
0.00015680 0.00017587 -0.00007827
-0.00897465 0.00919470 0.00663066
5.09032337 -32.23123224 -3.67023673
-0.00011072 -0.00019639 -0.00060680
0.00875083 -0.00029064 -0.00196427
4.73665131 -31.91051519 -0.65334142
0.00005540 -0.00058719 -0.00013487
0.01467578 -0.00176573 0.01768448
-12.47233946 -3.06257089 -9.76572124
-0.00033606 0.00093216 -0.00063065
0.00637825 0.01074554 0.00873659
-11.97237146 -0.54234311 -11.05909888
0.00028057 -0.00023858 -0.00002410
-0.00219798 0.00663310 -0.00734581
-38.96778922 2.47580687 1.31868312
-0.00034438 0.00004487 -0.00019469
0.00328936 -0.00170770 -0.00934764
-37.74945712 3.95898322 -0.95281147
0.00028329 -0.00061452 0.00038421
-0.00425281 -0.00106169 0.00197250
-10.84856859 -5.56439455 3.26427844
-0.00049761 0.00048470 0.00103461
-0.00872781 0.02087714 0.01914023
-10.59022626 -2.88784688 4.63214387
-0.00046792 -0.00032465 0.00050081
-0.00011041 -0.00034414 -0.00659611
4.01304248 -2.38408556 8.42224358
-0.00022515 -0.00106064 -0.00018846
0.00166071 0.00222993 -0.00463392
3.66900407 -4.38197935 10.45148889
0.00021953 -0.00046342 -0.00039043
0.00241308 0.00191617 -0.01951841
-34.78348602 -0.88683330 0.42414424
-0.00068266 0.00012001 0.00079213
0.01807977 0.00032352 0.00409590
-33.56830580 1.57532056 -0.03735306
-0.00058707 -0.00069438 -0.00054279
0.00988725 -0.02908463 0.00837676
13.12077976 13.22992364 -14.78955408
-0.00099142 0.00075439 -0.00071678
0.01053430 -0.00482929 -0.00467515
15.80352855 12.30354516 -14.29661564
-0.00096736 -0.00029692 -0.00003295
0.05986480 -0.00285904 -0.03133013
-7.80220305 7.50539443 1.62140648
0.00036042 -0.00028727 -0.00032927
-0.00874166 0.01350184 -0.00228200
-7.38202188 4.81341278 1.58272122
-0.00014530 0.00056893 0.00141383
0.00657383 -0.02527938 -0.00942257
6.20722454 12.28432569 -7.85472130
0.00001108 -0.00020188 0.00014902
0.00260013 0.00126950 0.01078563
8.47398165 13.53154799 -6.25560699
-0.00070152 0.00000562 -0.00046945
-0.01222634 -0.01896615 -0.01000204
8.96053409 8.11635320 -19.90323588
0.00024405 -0.00028734 0.00042477
0.00667734 -0.01511871 -0.00756246
10.56751711 10.51347929 -18.97886050
-0.00089530 0.00013465 0.00010540
-0.00733435 -0.00549550 -0.00965032
24.29640278 15.89492586 -2.84263309
0.00012844 -0.00074475 -0.00011725
-0.00311799 -0.01809712 0.00035154
24.50644616 18.62944887 -2.91954069
0.00082259 -0.00040405 0.00074558
-0.00457843 0.00607910 0.00349654
1.61376595 16.79021108 -21.32633535
0.00005788 0.00026210 0.00035199
-0.01943875 0.00639102 -0.05805908
3.15716658 15.59966594 -19.45057451
-0.00096217 0.00061452 0.00026341
0.01833776 -0.01559505 0.01346732
13.50912714 -2.02539992 -7.19489943
0.00100212 -0.00032247 -0.00019928
-0.00336826 0.00596849 0.01561785
12.63767656 -0.97755624 -4.59914565
-0.00010296 0.00040694 -0.00041139
-0.01007708 -0.00266675 0.00743848
-17.87919168 -2.22704458 3.49782812
0.00096735 -0.00062929 0.00011870
0.00924266 0.00946575 -0.00977848
-15.19134706 -3.06944247 3.34244716
-0.00008498 -0.00009799 0.00120537
0.00573222 0.01835210 -0.00100933
-15.54971065 -0.58237766 19.10046196
0.00127200 -0.00040065 -0.00080863
-0.01043083 -0.02984940 -0.00455852
-14.64593629 -3.37259275 19.62918993
-0.00016732 -0.00053782 -0.00095149
-0.01094780 0.00202342 -0.00818378
-0.41503389 0.57182454 -5.07657831
-0.00111886 0.00022999 -0.00001069
0.00301484 0.00418338 0.00581188
-0.69544217 3.47971011 -5.06254950
-0.00011136 0.00011100 0.00027590
-0.02237150 0.02165752 -0.00213623
23.84417411 -8.57794861 -9.12413410
-0.00068758 0.00001717 0.00059319
0.00144530 0.00145810 0.00639787
23.64299866 -5.66606647 -8.13360368
-0.00068263 0.00021628 -0.00022550
0.01321165 -0.00034712 -0.00200105
-0.60301321 -6.03455353 5.53219288
-0.00039669 0.00035238 -0.00013467
-0.01173383 -0.00509301 -0.01479795
0.83123156 -5.74293095 7.74925319
-0.00045080 0.00102831 -0.00074461
0.00258014 -0.00286906 0.01791890
-0.28244007 -2.42650871 -19.46381011
0.00056095 -0.00050815 0.00060314
0.00332642 0.00538537 0.01157466
-2.71004229 -2.35624893 -20.62880378
0.00078210 0.00010189 -0.00020481
-0.02340875 -0.00194957 -0.01566015
2.84991796 2.90763451 -10.53908384
-0.00022363 -0.00104693 -0.00067216
-0.00484144 -0.00841029 0.01449208
2.07405148 2.09753066 -7.70433617
0.00035143 0.00085137 0.00102434
-0.01382539 0.00895438 0.02088878
-2.00613636 16.44608624 12.31382014
0.00051861 -0.00060320 -0.00045758
-0.02449391 0.02585521 0.00378709
-2.91013041 18.85089010 13.76668390
0.00055361 0.00064648 -0.00060330
0.00115363 0.00693281 0.01610769
-5.52917877 6.00831972 -11.87658679
-0.00104660 -0.00019481 -0.00194014
-0.00969903 0.00773884 0.00871356
-3.72238156 3.82367555 -12.47914196
0.00048503 -0.00013202 -0.00079430
0.00253871 0.02062667 0.01966336
-8.17668313 1.27491862 -7.83150693
-0.00067150 0.00095608 -0.00010350
0.00254097 -0.00517971 0.01339897
-6.01951255 2.91806221 -8.94489647
0.00110122 0.00017551 0.00050276
-0.02069059 0.00032718 -0.00085805
2.65389995 27.17461111 7.41145763
-0.00093188 -0.00049046 0.00066717
0.00403106 -0.00945074 -0.03676636
1.43532002 29.01857659 9.06880576
0.00002392 -0.00000795 0.00022806
0.00436978 -0.01405477 0.00917598
10.40657743 -6.79982286 -0.27951931
-0.00005772 0.00011843 0.00084199
-0.01051554 0.00169854 -0.01413775
8.15047480 -7.68441253 -1.96718635
-0.00046669 -0.00042839 0.00094452
0.00487986 0.00764087 0.00268439
-7.38349881 -0.07332175 7.37415619
0.00013014 -0.00011329 0.00080387
0.01750278 0.00200665 -0.00556253
-10.16518025 0.40322546 7.30534352
0.00065065 -0.00049490 -0.00030397
0.00335474 0.00431687 -0.01360737
20.76424095 11.30882408 10.40858101
-0.00041228 0.00018338 -0.00021697
0.00298883 -0.00014453 0.01429638
20.75750797 12.68816942 7.88333693
0.00137895 0.00072188 -0.00042520
0.00346672 0.00066782 0.00580787
-1.18877000 -3.90105723 -27.06072965
-0.00136668 0.00011486 -0.00077572
-0.01323974 0.03763298 0.00078267
-3.28370823 -1.81574206 -26.55369990
-0.00011159 -0.00030387 -0.00008276
-0.02967562 -0.00066209 0.02309517
-13.62912881 6.64838084 9.89266366
-0.00056148 -0.00075901 0.00052388
0.00454628 -0.00836354 0.00374568
-14.95950693 7.63837139 7.73228592
0.00064802 0.00051905 0.00097045
-0.00588615 0.00437368 -0.00938671
-11.61765249 7.27427917 -1.91783945
-0.00038189 -0.00084196 -0.00057971
-0.01076536 0.00083212 -0.00636401
-9.15999491 8.18776496 -3.31287876
-0.00089115 0.00057591 0.00023819
-0.00654132 -0.00926442 0.01887739
-0.98843132 -16.49568671 22.42246362
-0.00019196 -0.00054957 0.00000796
0.01464505 -0.03607662 -0.00961910
-3.37776823 -15.50478953 23.76460758
-0.00042007 -0.00061150 0.00063006
0.03467262 0.01087928 -0.02100619
-3.26368224 5.83862001 -7.74312363
-0.00113465 -0.00058110 0.00054366
-0.00102531 0.00169560 -0.01345043
-4.27634462 6.64649417 -5.21709284
0.00014161 0.00047118 0.00009539
-0.03925973 0.01606992 0.02045477
-21.77622079 29.71968132 2.87045145
-0.00057204 -0.00018274 -0.00059953
-0.00834692 0.00452080 0.00575064
-21.30477358 31.14099919 5.54622893
-0.00020994 0.00019419 -0.00015845
0.00465016 -0.02551372 -0.02922347
7.18732125 0.11331863 5.89071424
-0.00033919 0.00085175 -0.00090683
0.00379584 -0.00280115 0.00054480
6.92732073 2.34248715 7.71283407
-0.00056081 0.00035649 -0.00104658
0.00427955 0.01179011 0.00469747
6.98016894 12.26621271 -12.86010698
0.00063328 -0.00078877 0.00013424
0.01552780 0.01549273 0.00614126
5.21686870 11.77721862 -14.95273115
0.00055128 -0.00130490 0.00091179
-0.00214462 -0.00404915 -0.00190428
14.28062637 4.10718386 -1.96634661
0.00039684 0.00020018 -0.00007799
0.01202549 -0.01180023 -0.00000642
14.84981050 1.38932979 -1.04142110
0.00054228 0.00077276 0.00027783
-0.00772842 -0.01519163 0.00021988
-3.08537475 11.79210046 -0.22599510
-0.00057832 -0.00091295 0.00009019
-0.00365737 -0.00439570 0.00798924
-5.95066741 12.79783781 0.34730250
-0.00004175 -0.00060115 -0.00060498
0.02085203 -0.00618503 -0.00394379
3.27886800 11.43150048 2.31282364
0.00034847 -0.00064107 0.00021459
0.03533512 0.02284672 0.01055631
6.18496592 11.57089260 2.85760146
0.00087133 0.00001517 -0.00045469
0.01856092 -0.01099648 0.00336687
25.28980655 -12.96771787 -8.81040935
-0.00012607 -0.00056615 -0.00002633
-0.01239818 0.01553464 0.01055226
25.79518464 -11.76704415 -11.30152703
-0.00047137 -0.00066516 -0.00081288
-0.00042037 0.01621423 -0.00006343
15.86747021 -2.80160833 0.57144212
0.00017586 -0.00000266 -0.00063727
0.01356109 -0.00199388 -0.02366803
16.84503121 -5.17105196 -0.74256441
0.00033572 0.00096963 -0.00026127
0.00990126 0.01839635 -0.00641501
12.45333102 8.09338146 11.64902897
0.00059982 0.00005524 0.00104595
0.00869137 0.00016346 -0.00996965
14.10187322 9.19469201 9.39369277
0.00121125 -0.00080360 0.00020678
-0.00506233 0.01589981 0.00411356
0.19228642 -14.52532566 17.20116557
0.00004807 0.00063464 -0.00001720
-0.01982318 -0.00213057 0.00095193
2.00595739 -12.75293992 18.84964495
-0.00028963 -0.00020323 -0.00048577
-0.01054560 -0.00254635 -0.01170401
-3.52789929 -1.41285532 -12.43987258
0.00048186 0.00069967 0.00026864
0.00047399 -0.01734420 0.02396448
-2.39523869 -1.82398006 -15.08932019
0.00036972 0.00042334 0.00025863
-0.03534981 0.02896536 0.02085166
14.44390298 -8.08985419 -10.61532835
-0.00066337 -0.00050763 0.00038404
0.01633985 0.00344502 0.02596149
16.38575252 -6.41859690 -9.06464857
0.00099949 0.00038705 -0.00004378
0.01129471 0.01017274 -0.00390241
7.21930699 -5.41076404 8.85998006
0.00098573 0.00022055 0.00024755
-0.00026880 -0.00283893 -0.00749870
9.81843661 -6.45045295 8.01028043
-0.00060047 0.00080558 -0.00007738
0.02009881 0.01342243 -0.02339440
-20.80057905 2.15875279 21.17948819
0.00068164 0.00012425 -0.00026311
0.00581869 0.00321052 -0.02901001
-22.30609763 1.12107257 23.30066660
0.00058413 0.00020525 -0.00096180
0.00829255 0.01704297 0.00875878
27.12691460 -2.83010946 -7.01860160
0.00051100 -0.00032001 -0.00027801
0.00517120 -0.00452657 0.00963089
25.67976148 -1.36453182 -8.99503491
-0.00009132 0.00031311 -0.00014218
-0.00989895 0.01246505 -0.00157542
9.91641455 -15.46236839 -7.74656191
-0.00024900 -0.00007623 0.00042264
0.00116406 -0.03565182 0.01723813
8.98328164 -12.77904958 -7.62648126
-0.00064665 0.00017910 -0.00123143
0.00450305 0.00422650 -0.00387612
-5.74518740 -11.31048132 18.30112840
-0.00023878 0.00005499 -0.00049295
0.01028452 0.01701045 0.01342095
-6.71647246 -11.02794234 15.54315829
0.00010038 0.00041417 0.00016802
0.00086023 0.00107215 0.00651387
8.85284694 1.74969299 -29.59527323
-0.00019695 0.00024438 -0.00058304
0.02666546 -0.02196661 -0.00853763
6.00915735 1.87388182 -30.33241275
0.00024958 -0.00146254 -0.00035105
0.00007426 0.00511240 0.00216149
12.48135745 15.51209113 14.67767871
-0.00125700 0.00102892 -0.00013786
0.03907151 -0.01601408 -0.02526908
11.47722933 16.35361641 17.17539586
-0.00104882 0.00006354 -0.00071841
-0.01072987 -0.00245255 -0.00209723
29.06212356 5.32060202 -4.90355237
0.00049884 -0.00011234 0.00025652
0.00297059 -0.01194892 -0.00628207
27.15803786 7.14325810 -3.77837214
-0.00015602 0.00058012 0.00042038
0.00962116 -0.00688308 0.00175959
-9.94571203 5.16818400 6.38334584
0.00002605 0.00029041 -0.00013452
-0.00006126 -0.00163727 0.00671309
-8.91008749 13.37844471 2.62913571
-0.00013444 0.00000705 0.00005857
-0.00072120 -0.00027852 0.00150192
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09436172
0.32539186
433.56834134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4290708164 (a.u.)
total exchange computation time: 2.6667339802 s
-154.3023797077
-931.41617471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.708 s
total exchange = -52.4282753603 (a.u.)
total exchange computation time: 2.6685931683 s
-154.3093778512
Anderson extrapolation: theta=1.3430840406 (1.3430840406)
-931.41638545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4270728868 (a.u.)
total exchange computation time: 2.6655201912 s
-154.3197035975
Anderson extrapolation: theta=0.0506164129 (0.0506164129)
-931.41651113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4269073042 (a.u.)
total exchange computation time: 2.6660790443 s
-154.3209851933
Anderson extrapolation: theta=1.8972654477 (1.8972654477)
-931.41651566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4265601071 (a.u.)
total exchange computation time: 2.6661548615 s
-154.3235964760
Anderson extrapolation: theta=0.2138655244 (0.2138655244)
-931.41652015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4264737297 (a.u.)
total exchange computation time: 2.6664841175 s
-154.3241778001
Anderson extrapolation: theta=1.8998133080 (1.8998133080)
-931.41652095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4263305273 (a.u.)
total exchange computation time: 2.6670548916 s
-154.3250636674
Anderson extrapolation: theta=0.2870084954 (0.2870084954)
-931.41652190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4263120228 (a.u.)
total exchange computation time: 2.6667058468 s
-154.3250995464
Anderson extrapolation: theta=1.3182991265 (1.3182991265)
-931.41652212
-208.063261 69.208418 97.520877
560.948205 1031.462989 -409.135417
352.884944 1100.671407 -311.614540
1197.125286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4263058302 (a.u.)
total exchange computation time: 2.6668739319 s
679.60042724
-1085.48226109
89.83563305
-387.96953617
-174.97447948
79.19756863
551.60419304
0.00000000
-931.41652228
4.04327950 -31.64630627 -2.28971653
-0.00017198 -0.00040002 -0.00029303
-0.02363945 0.00721450 -0.03175515
-11.76475147 -1.37468778 -9.47326570
-0.00040140 0.00008493 -0.00027694
-0.00640745 -0.01713081 -0.00085438
-37.52146823 2.52144825 0.17853919
0.00007579 0.00040672 -0.00026839
0.00002826 0.00425617 0.00434479
-11.80585572 -4.17654630 4.16604352
0.00000473 0.00002708 0.00021614
0.00304150 -0.01705118 -0.00271189
3.89646737 -4.19778019 8.56841737
-0.00024455 -0.00007728 -0.00032190
-0.00426984 -0.00854969 0.03122740
-33.05766710 -0.22112804 0.27071634
-0.00062487 0.00030853 0.00034750
-0.02592916 0.02336085 -0.01233099
14.27733824 12.54692819 -13.54216793
0.00011273 0.00011070 0.00004858
-0.07815654 0.01654726 0.02459422
-7.72744169 6.11617728 2.77723999
0.00013870 -0.00001947 0.00003558
0.00430849 0.01961878 0.02109287
7.23078016 12.05077629 -6.33543013
0.00001999 -0.00018219 -0.00036896
0.01472661 0.01963175 -0.00450842
8.88499293 9.74723929 -19.20169371
0.00020476 -0.00036294 -0.00011997
-0.00930776 0.01953128 0.01623072
23.23097974 17.35220029 -2.54886591
0.00023628 0.00004204 -0.00036655
0.02019529 -0.00241864 -0.00290778
1.99883178 16.96563968 -19.63365393
-0.00012221 0.00010900 0.00006047
-0.00508178 0.01858463 0.05054755
14.02326234 -0.98831311 -5.74142687
-0.00002863 -0.00035160 0.00019688
0.01486391 -0.01709838 -0.01466325
-16.19675655 -1.49715355 3.20985710
-0.00033364 -0.00028029 0.00009920
-0.00577974 -0.02870311 0.01362098
-15.94656515 -2.40013193 18.71728914
0.00037011 -0.00013310 -0.00005059
0.01123829 0.02775264 0.00770304
0.43182423 2.17422528 -4.59503351
0.00008886 0.00010501 0.00007797
0.01796951 -0.02833377 -0.00691984
22.77091094 -7.11591287 -8.80880873
0.00013696 -0.00004379 0.00001336
-0.01947563 0.00246536 -0.00324488
-0.79696045 -6.46977690 7.28656496
-0.00001899 -0.00011125 -0.00009522
0.01022179 0.01437063 -0.01258132
-1.82914521 -1.43829047 -19.34767009
-0.00013040 -0.00010036 -0.00009132
0.02966867 -0.00631319 0.00419573
3.00107028 1.62091071 -9.17433874
-0.00028155 0.00015307 -0.00004675
0.00860527 0.01065873 -0.03675982
-3.44203020 17.76365930 12.42379845
0.00030048 0.00016163 0.00021046
0.01828540 -0.03115846 -0.02442687
-3.93645225 5.30314557 -11.31646574
0.00007667 0.00032193 0.00000139
0.00563408 -0.03172595 -0.02895250
-7.86477920 2.70872563 -8.89474423
-0.00009458 -0.00004391 -0.00008793
0.02288650 0.02376324 -0.02194120
2.56911464 27.55004261 9.13944068
0.00013803 0.00003513 0.00039122
-0.01430589 0.02137944 0.03203385
9.27933762 -6.26332092 -1.67494188
-0.00028392 0.00006878 0.00012195
0.00838900 -0.01306301 0.01739646
-8.64639848 0.67211609 6.28276189
-0.00012659 -0.00012728 0.00026078
-0.01288059 -0.00704274 0.01729721
20.55003627 11.01180154 8.64959864
-0.00000240 0.00004633 -0.00014115
-0.00464164 -0.00278503 -0.02456516
-1.95907416 -2.22982181 -27.65249606
0.00008205 -0.00013494 -0.00012195
0.03086064 -0.02519410 -0.01923626
-14.00340489 6.14714129 8.17663601
0.00040125 -0.00001354 0.00026817
0.00271634 0.00524468 0.00481156
-9.81605315 7.20116473 -1.81232843
-0.00021821 -0.00007410 0.00045374
0.01577858 0.01338093 -0.02614260
-1.79499813 -14.95434664 22.80701185
-0.00000145 0.00045820 -0.00067468
-0.05492472 0.01130759 0.02890660
-2.79523049 6.18004319 -6.01874266
0.00006619 -0.00031014 0.00008610
0.04246790 -0.01702240 -0.01226199
-20.59190908 29.89909075 4.28114995
-0.00024392 -0.00043216 0.00029229
0.00138191 0.02969260 0.02702349
7.88749707 0.82713166 7.46929727
0.00039463 0.00040259 0.00014744
-0.00749947 -0.00963514 -0.00888318
5.87189249 10.96282192 -13.45847381
0.00011781 -0.00036933 -0.00034371
-0.00381059 -0.01526583 -0.00725474
15.65659940 2.93467959 -1.46772396
-0.00002575 0.00024378 0.00046822
-0.00201401 0.03426162 -0.00192232
-4.43503225 12.86023833 -0.78002703
0.00002117 -0.00035336 -0.00008312
-0.01399292 0.00872165 -0.00961174
4.78248192 12.65066809 2.40486151
-0.00015000 0.00017877 -0.00015183
-0.04743082 -0.02794414 0.00852808
24.95440054 -11.36709755 -9.67861493
-0.00025019 0.00017003 0.00044654
0.01948532 -0.03914642 -0.00863305
17.06456377 -3.30021510 -0.79981263
0.00029727 0.00023623 0.00007548
-0.02209825 -0.01631856 0.02855212
13.64657681 7.66988202 10.25185351
0.00046240 -0.00035821 -0.00025148
-0.00417182 -0.02023479 0.00157793
1.90076093 -13.99927337 17.49272130
0.00044252 0.00011027 -0.00003346
0.02595174 0.00713755 0.00648224
-3.60767929 -0.71474605 -14.07387517
0.00015669 -0.00010244 0.00025966
0.02581749 -0.00913281 -0.04239473
15.05426012 -7.67271958 -8.85951151
0.00009040 -0.00038391 -0.00012934
-0.01509995 -0.01492646 -0.02037395
8.42068744 -6.78630761 9.03194150
0.00006357 0.00036527 0.00021262
-0.01799993 -0.01313228 0.02995202
-21.10029625 2.51668214 22.91135380
-0.00005979 0.00022190 0.00016202
-0.01342535 -0.01220625 0.01458594
25.81078403 -3.02859042 -8.25816799
0.00026440 0.00005714 -0.00001512
0.00592319 -0.01827488 -0.00436960
9.94876495 -13.97283657 -8.68162626
-0.00001779 -0.00006629 -0.00032575
-0.00950242 0.02517398 -0.00835339
-6.62981436 -12.15842584 16.99581463
0.00014980 0.00032062 0.00014069
-0.01784738 -0.01743062 -0.01900411
7.35158307 2.63361098 -29.32331803
-0.00025560 -0.00032548 0.00010256
-0.01988208 0.02284088 0.01087434
10.93962406 15.88659037 15.48946928
-0.00012124 0.00033961 0.00029801
-0.05149969 0.01320105 0.02517952
28.88220170 6.46779508 -3.49639576
0.00015191 0.00018086 -0.00007478
-0.01004620 0.01021733 0.00695481
5.08893078 -32.23418706 -3.67939885
-0.00007678 -0.00019665 -0.00061206
0.00786332 0.00016720 -0.00061037
4.73793199 -31.91937715 -0.65482254
0.00011318 -0.00059344 -0.00006674
0.01360729 -0.00129458 0.01566628
-12.47718495 -3.04825927 -9.77491327
-0.00031411 0.00096565 -0.00059561
0.00436626 0.00565076 0.00841453
-11.96823033 -0.54571861 -11.05968554
0.00027120 -0.00020700 -0.00006036
-0.00238400 0.00882853 -0.01040223
-38.97285414 2.47642758 1.31547639
-0.00032648 0.00003829 -0.00023642
0.00547178 -0.00151298 -0.01108375
-37.74533809 3.94973284 -0.94698789
0.00026352 -0.00060516 0.00038179
-0.00542300 0.00564688 -0.00315610
-10.85630016 -5.55648438 3.28038410
-0.00052758 0.00056186 0.00110688
-0.00594295 0.01689325 0.01623893
-10.59724846 -2.89272718 4.63945389
-0.00046328 -0.00032079 0.00047567
0.00238077 0.00223372 -0.00570957
4.00971608 -2.39992680 8.41927466
-0.00021740 -0.00103539 -0.00020868
0.00213234 0.01012719 -0.00526443
3.67237090 -4.38887190 10.44503430
0.00022893 -0.00045553 -0.00046901
0.00219017 0.00194458 -0.01894694
-34.79317197 -0.88502328 0.43615169
-0.00060697 0.00012168 0.00080855
0.01897348 0.00049589 0.00394285
-33.57680887 1.56401367 -0.04523827
-0.00054889 -0.00080260 -0.00050987
0.00880069 -0.02389191 0.00774051
13.10623127 13.24109154 -14.80044909
-0.00093417 0.00072620 -0.00072153
0.01749217 -0.00897251 0.00234982
15.79085257 12.29900378 -14.29806993
-0.00070757 -0.00031117 -0.00016961
0.06730387 -0.00411578 -0.03556577
-7.79706459 7.50149917 1.61639748
0.00032445 -0.00023231 -0.00033787
-0.00886697 0.01340053 -0.00192756
-7.38399989 4.82117215 1.60363990
-0.00011438 0.00044832 0.00136054
0.00856009 -0.03376130 -0.01666278
6.20747045 12.28133638 -7.85215556
0.00001737 -0.00019625 0.00018762
0.00047988 0.00148519 0.00810982
8.46308412 13.53105116 -6.26295526
-0.00074883 -0.00006994 -0.00050918
-0.01092916 -0.01802365 -0.00944689
8.96439940 8.11157982 -19.89709608
0.00027218 -0.00035292 0.00039209
0.00709503 -0.01698383 -0.00843548
10.55386285 10.51533059 -18.97757521
-0.00091505 0.00011541 0.00006687
-0.00233382 -0.00392209 -0.00921139
24.29823376 15.88320007 -2.84438107
0.00011111 -0.00081149 -0.00011455
-0.00536159 -0.01457545 0.00097066
24.51864465 18.62357445 -2.90824991
0.00080480 -0.00037830 0.00075849
-0.00412635 0.00652593 0.00282497
1.61403849 16.79433842 -21.32283455
-0.00002258 0.00028774 0.00010973
-0.01994712 0.00615869 -0.06052926
3.14329602 15.60840580 -19.44621069
-0.00087793 0.00053939 0.00032024
0.02289435 -0.02118191 0.01434975
13.52405569 -2.03005400 -7.19741004
0.00098715 -0.00029776 -0.00013436
-0.00395764 0.00612435 0.01616208
12.63582339 -0.97153385 -4.60508854
-0.00014860 0.00039501 -0.00037878
-0.01226440 -0.00317535 0.00852383
-17.86439824 -2.23619382 3.49930895
0.00099000 -0.00059484 0.00008089
0.00184579 0.00739577 -0.00872715
-15.19244609 -3.07035000 3.36049672
-0.00006033 -0.00002223 0.00120024
0.00633311 0.01873381 -0.00149968
-15.53095021 -0.58930209 19.08819286
0.00122965 -0.00051994 -0.00082634
-0.01030156 -0.02854400 -0.00411180
-14.64878159 -3.38059811 19.61466678
-0.00020581 -0.00053329 -0.00098016
-0.00789057 0.00019848 -0.00584762
-0.43172446 0.57540265 -5.07656051
-0.00110193 0.00025061 0.00001477
0.00527226 0.00590940 0.00664936
-0.69779803 3.48203876 -5.05847651
-0.00020082 0.00019913 0.00026808
-0.02142400 0.02148422 -0.00169020
23.83390470 -8.57764631 -9.11504026
-0.00067541 0.00001672 0.00061790
0.00451406 -0.00167958 0.00569837
23.63316399 -5.66283286 -8.13704744
-0.00062543 0.00021732 -0.00023180
0.01479189 0.00085505 -0.00108603
-0.60932319 -6.02942385 5.52971934
-0.00044582 0.00033026 -0.00019358
-0.01231091 -0.00573703 -0.01403950
0.82454866 -5.72759427 7.73863320
-0.00043830 0.00101640 -0.00066977
0.00353917 -0.00296115 0.01871356
-0.27392392 -2.43396597 -19.45440829
0.00056481 -0.00048009 0.00065073
-0.00143725 0.00834901 0.01171775
-2.69902812 -2.35478025 -20.63235584
0.00068320 0.00009033 -0.00027364
-0.02500529 -0.00371030 -0.01803281
2.84641513 2.89167289 -10.54872209
-0.00024430 -0.00107651 -0.00061456
-0.00527789 -0.00607308 0.01370363
2.07889933 2.11057564 -7.68833091
0.00030087 0.00088527 0.00109922
-0.01092638 0.00763902 0.01576152
-1.99910772 16.43783049 12.30707249
0.00041525 -0.00049303 -0.00044007
-0.02610590 0.02807657 0.00478248
-2.90179095 18.86079971 13.75812801
0.00055992 0.00067566 -0.00053519
0.00193445 0.00735329 0.01723398
-5.54517497 6.00563476 -11.90542184
-0.00106952 -0.00016946 -0.00189627
-0.00152122 0.00466974 0.01275787
-3.71502826 3.82232725 -12.49045397
0.00049523 -0.00004076 -0.00070716
0.00245158 0.02404897 0.02299374
-8.18667780 1.28910113 -7.83264885
-0.00066208 0.00092581 -0.00004261
0.00207174 -0.00963847 0.01640995
-6.00362826 2.92070485 -8.93738138
0.00100073 0.00017456 0.00049937
-0.02849981 -0.00078904 -0.00079960
2.64004529 27.16696464 7.42033855
-0.00091548 -0.00053011 0.00051416
0.00399521 -0.00996126 -0.03813507
1.43581266 29.01802669 9.07250790
0.00004178 -0.00006524 0.00026602
0.00437298 -0.01398865 0.00940282
10.40538942 -6.79799440 -0.26732266
-0.00010483 0.00012786 0.00077814
-0.01254433 0.00291972 -0.01711983
8.14362401 -7.69060426 -1.95293633
-0.00044390 -0.00039304 0.00095573
0.00627697 0.00966298 0.00280181
-7.38101041 -0.07495961 7.38604376
0.00019679 -0.00010181 0.00077593
0.01512512 0.00361160 -0.00811304
-10.15531772 0.39593424 7.30036703
0.00065292 -0.00047841 -0.00035255
-0.00224518 0.00375357 -0.01017363
20.75814827 11.31157029 10.40576453
-0.00040009 0.00018284 -0.00015710
0.00298006 -0.00011735 0.01501299
20.77829840 12.69901802 7.87713695
0.00139093 0.00071451 -0.00039677
0.00239808 -0.00427311 0.00810898
-1.20967584 -3.89818118 -27.07234150
-0.00141465 0.00025996 -0.00076993
-0.01024592 0.03339379 0.00205407
-3.28629150 -1.82032040 -26.55423361
-0.00023059 -0.00030683 0.00000887
-0.02857589 -0.00078846 0.02175994
-13.63741168 6.63673938 9.90063659
-0.00054153 -0.00079346 0.00054165
0.00521862 -0.00849765 0.00495504
-14.94996699 7.64629118 7.74655500
0.00062483 0.00053512 0.00093156
-0.00546541 0.00349441 -0.00965133
-11.62371066 7.26167524 -1.92673011
-0.00042328 -0.00083932 -0.00060427
-0.00949732 0.00046127 -0.00565850
-9.17356254 8.19611966 -3.30872743
-0.00091688 0.00053598 0.00031790
-0.00605602 -0.01027784 0.02014114
-0.99086194 -16.50503583 22.42228828
-0.00013643 -0.00068626 -0.00002917
0.01253807 -0.03083350 -0.00855797
-3.38300681 -15.51362870 23.77341475
-0.00026929 -0.00056162 0.00053776
0.03913736 0.01353917 -0.02417313
-3.28073342 5.82995551 -7.73538085
-0.00113752 -0.00057424 0.00048725
-0.00038000 0.00166240 -0.01416417
-4.27542357 6.65405426 -5.21503522
-0.00001438 0.00053648 0.00017812
-0.03709713 0.01589814 0.02004477
-21.78505715 29.71707875 2.86163472
-0.00059882 -0.00016295 -0.00056784
-0.00476338 0.00516479 0.00975993
-21.30778021 31.14313019 5.54295676
-0.00019083 0.00008943 -0.00027735
0.00470629 -0.02576797 -0.02898185
7.18234970 0.12600898 5.87712842
-0.00031753 0.00084245 -0.00089375
0.00680789 -0.00175055 0.00585949
6.91903969 2.34819572 7.69727937
-0.00053965 0.00040144 -0.00102558
0.00607885 0.01021734 0.00558140
6.99014394 12.25485590 -12.85790521
0.00069333 -0.00072823 0.00015758
0.01386756 0.01413988 0.00528627
5.22507216 11.75752109 -14.93911270
0.00053341 -0.00130931 0.00088232
-0.00660289 0.00188795 -0.01251980
14.28694745 4.10982504 -1.96751666
0.00044388 0.00015318 -0.00007788
0.01100375 -0.01120986 0.00006071
14.85770794 1.40045574 -1.03724694
0.00050472 0.00069978 0.00028174
-0.01065743 -0.02053263 0.00169324
-3.09416167 11.77827154 -0.22439747
-0.00059226 -0.00093148 0.00012264
-0.00316271 -0.00467431 0.00789796
-5.95065472 12.78863110 0.33810701
0.00004077 -0.00062587 -0.00061939
0.01954082 -0.00591887 -0.00311130
3.28517783 11.42258450 2.31636601
0.00049235 -0.00054671 0.00025734
0.03509510 0.02334289 0.01036788
6.19860458 11.57078317 2.85088426
0.00093761 -0.00002259 -0.00044385
0.01388443 -0.00748534 0.00193969
25.28753554 -12.97573416 -8.81048093
-0.00017776 -0.00049750 0.00001453
-0.01290460 0.01807177 0.00944959
25.78810128 -11.77652463 -11.31372216
-0.00047929 -0.00059483 -0.00079979
-0.00345822 0.01821200 0.00646827
15.87052371 -2.80170931 0.56115787
0.00022732 -0.00000834 -0.00072867
0.01162727 -0.00078755 -0.02107379
16.85037042 -5.15594378 -0.74668006
0.00037516 0.00103467 -0.00028739
0.00940627 0.01343926 -0.00636999
12.46259459 8.09421505 11.66441266
0.00064157 0.00005337 0.00099632
0.01174753 -0.00107750 -0.01432351
14.11988683 9.18312527 9.39692045
0.00119186 -0.00073295 0.00022092
-0.00442912 0.01868468 0.00281147
0.19240001 -14.51587140 17.20093667
-0.00002845 0.00062595 -0.00001396
-0.01763144 -0.00212281 0.00063827
2.00128973 -12.75606647 18.84199979
-0.00033066 -0.00020712 -0.00052687
-0.00953830 0.00064304 -0.00841646
-3.52065682 -1.40289177 -12.43510869
0.00048435 0.00062707 0.00037005
0.00074316 -0.01819120 0.02567804
-2.39077609 -1.81674230 -15.08480174
0.00022649 0.00053961 0.00034283
-0.03476417 0.02794771 0.02036244
14.43445316 -8.09736308 -10.60877224
-0.00059550 -0.00049308 0.00048700
0.01688397 0.00367578 0.02443870
16.40109095 -6.41247946 -9.06542483
0.00103333 0.00041745 -0.00005943
0.00527085 0.00470852 -0.00375753
7.23408474 -5.40754281 8.86346354
0.00097647 0.00021586 0.00021712
-0.00426527 0.00054467 -0.00739782
9.81004544 -6.43795801 8.00840283
-0.00051393 0.00085988 -0.00017538
0.02226360 0.01316149 -0.02457640
-20.79017612 2.16071498 21.17465255
0.00070411 0.00014014 -0.00037189
0.00518016 0.00456451 -0.02423502
-22.29708164 1.12467362 23.28650806
0.00061236 0.00026892 -0.00092293
0.00552800 0.01412130 0.01026843
27.13473800 -2.83504834 -7.02247666
0.00053185 -0.00033772 -0.00023872
0.00503500 -0.00414089 0.00960491
25.67808835 -1.35945323 -8.99721584
-0.00013101 0.00036005 -0.00014583
-0.00952749 0.01051431 -0.00021485
9.91271521 -15.46460431 -7.73969415
-0.00024435 -0.00021325 0.00048839
0.00111286 -0.03142090 0.01494895
8.97371980 -12.77623354 -7.64507144
-0.00062790 0.00019643 -0.00124618
0.00467603 0.00425621 -0.00334401
-5.74845398 -11.30913523 18.29414543
-0.00019034 0.00013034 -0.00042828
0.01342843 0.01987282 0.01823530
-6.71494041 -11.02169692 15.54587822
0.00010366 0.00041838 0.00019436
0.00074706 0.00099050 0.00637749
8.85070982 1.75268555 -29.60428042
-0.00008569 0.00015480 -0.00061761
0.02779663 -0.02188118 -0.00838546
6.01290339 1.85210033 -30.33761219
0.00025200 -0.00143777 -0.00033922
0.00110585 0.00701292 0.00362849
12.46369970 15.52703418 14.67483644
-0.00108479 0.00096087 -0.00024681
0.04522954 -0.01729614 -0.02806139
11.46116822 16.35449433 17.16455537
-0.00108580 0.00005834 -0.00070901
-0.00736934 -0.00009123 0.00670333
29.06969712 5.31855071 -4.89989702
0.00050890 -0.00016033 0.00023068
0.00195790 -0.01154060 -0.00636744
27.15599231 7.15174905 -3.77201259
-0.00011225 0.00054909 0.00042652
0.01180509 -0.00830893 0.00124789
-9.94532141 5.17253578 6.38134608
0.00002600 0.00028981 -0.00013209
-0.00022321 -0.00172235 0.00688213
-8.91210537 13.37854996 2.63001688
-0.00013463 0.00000700 0.00005893
-0.00090853 -0.00017352 0.00155891
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09436834
0.32215394
429.25397181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4327662594 (a.u.)
total exchange computation time: 2.6668398380 s
-154.3165960231
-931.41232016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4318680340 (a.u.)
total exchange computation time: 2.6631369591 s
-154.3244104167
Anderson extrapolation: theta=1.3424095744 (1.3424095744)
-931.41253770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4305235926 (a.u.)
total exchange computation time: 2.6675930023 s
-154.3358786528
Anderson extrapolation: theta=0.0507333780 (0.0507333780)
-931.41266726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4303478984 (a.u.)
total exchange computation time: 2.6670579910 s
-154.3372570270
Anderson extrapolation: theta=1.8864069297 (1.8864069297)
-931.41267187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4299835130 (a.u.)
total exchange computation time: 2.6639947891 s
-154.3400457496
Anderson extrapolation: theta=0.2133688050 (0.2133688050)
-931.41267633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4298941641 (a.u.)
total exchange computation time: 2.6723749638 s
-154.3406663693
Anderson extrapolation: theta=1.8896498074 (1.8896498074)
-931.41267708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4297473067 (a.u.)
total exchange computation time: 2.6648781300 s
-154.3416141653
Anderson extrapolation: theta=0.2855013829 (0.2855013829)
-931.41267793
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4297290425 (a.u.)
total exchange computation time: 2.6664900780 s
-154.3416591565
Anderson extrapolation: theta=1.3095514608 (1.3095514608)
-931.41267811
-208.107334 69.246206 97.489005
560.953666 1031.452463 -409.138213
352.846332 1100.698669 -311.649207
1197.147995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4297242109 (a.u.)
total exchange computation time: 2.6660859585 s
679.65485347
-1085.61027219
89.83543181
-387.87927086
-174.98369623
79.27009180
551.60419304
0.00000000
-931.41267821
4.04060859 -31.65227876 -2.29423445
-0.00018355 -0.00039654 -0.00030897
-0.02134455 0.00630681 -0.03022620
-11.77079715 -1.37347998 -9.47742305
-0.00040405 0.00007709 -0.00027658
-0.00391596 -0.01335276 0.00223847
-37.52033130 2.52756543 0.17453016
0.00007556 0.00040704 -0.00026429
-0.00092132 -0.00301345 0.01160064
-11.80577308 -4.17620593 4.16927521
0.00000483 0.00001888 0.00021536
-0.00265198 -0.01483931 -0.00035126
3.89278272 -4.19897235 8.56370927
-0.00024684 -0.00008363 -0.00030598
-0.00464774 -0.01615176 0.03070933
-33.06714009 -0.21640996 0.27588135
-0.00063791 0.00031894 0.00034140
-0.02480552 0.01712403 -0.01142804
14.27872771 12.54865257 -13.54134433
0.00006996 0.00012030 0.00006028
-0.08817607 0.02077470 0.02089615
-7.72534458 6.11596096 2.77785500
0.00014043 -0.00000718 0.00004802
0.00240702 0.02815093 0.02727888
7.23113674 12.04811909 -6.34098186
0.00002765 -0.00017252 -0.00037071
0.01508685 0.01799997 -0.00232160
8.88802846 9.74187055 -19.20343063
0.00019848 -0.00035300 -0.00011163
-0.01511167 0.01910517 0.01618645
23.23460181 17.35282150 -2.55437538
0.00024712 0.00003974 -0.00036794
0.02195615 -0.00650680 -0.00250648
1.99697908 16.96734635 -19.63255186
-0.00012587 0.00011980 0.00008615
-0.00918449 0.02343361 0.04929830
14.02289028 -0.99365312 -5.73853021
-0.00002037 -0.00036017 0.00018911
0.01723208 -0.01619605 -0.01554207
-16.20178340 -1.50146859 3.21139760
-0.00033472 -0.00029435 0.00010599
0.00156981 -0.02596436 0.01279581
-15.94097020 -2.40202138 18.71656000
0.00037496 -0.00011882 -0.00004740
0.00761778 0.02778366 0.00471469
0.43322647 2.17569115 -4.59389062
0.00009725 0.00009030 0.00007400
0.01465250 -0.02886683 -0.00851989
22.77289015 -7.11656015 -8.80862091
0.00012580 -0.00004188 0.00001162
-0.02388828 0.00493244 -0.00349767
-0.79720586 -6.47139015 7.28508815
-0.00001376 -0.00010369 -0.00010210
0.01011538 0.01500745 -0.01418917
-1.83098672 -1.43982023 -19.34902376
-0.00011374 -0.00010393 -0.00008867
0.03508838 -0.00755051 0.00614116
2.99688018 1.62324784 -9.17518179
-0.00027783 0.00015816 -0.00006381
0.00585572 0.00914784 -0.02957008
-3.43745245 17.76596361 12.42686116
0.00030994 0.00014504 0.00019754
0.01849845 -0.03338216 -0.02583656
-3.93528045 5.30785217 -11.31655660
0.00007762 0.00030559 -0.00001508
-0.00193942 -0.03183281 -0.03509234
-7.86610968 2.70815870 -8.89614786
-0.00008100 -0.00003051 -0.00009994
0.02992554 0.02831688 -0.02476518
2.57112996 27.55065200 9.14543256
0.00013079 0.00004604 0.00040746
-0.01386536 0.02105795 0.03109695
9.27511119 -6.26233960 -1.67304549
-0.00027947 0.00006130 0.00013150
0.00890863 -0.01604371 0.01972926
-8.64834698 0.67017976 6.28674032
-0.00013101 -0.00013108 0.00026935
-0.00430024 -0.00773731 0.01604107
20.54998242 11.01248570 8.64738662
-0.00000450 0.00004607 -0.00015435
-0.00354661 0.00178891 -0.02675938
-1.95772442 -2.23194305 -27.65439956
0.00009645 -0.00014632 -0.00013162
0.02513647 -0.01906197 -0.01837361
-13.99737559 6.14695836 8.18067717
0.00040231 -0.00001053 0.00027036
0.00140285 0.00649007 0.00370693
-9.81926547 7.20010489 -1.80562323
-0.00021073 -0.00006693 0.00043988
0.01331093 0.01450510 -0.02773982
-1.79523175 -14.94743003 22.79700317
-0.00002980 0.00046175 -0.00065944
-0.05529955 0.00250433 0.03033851
-2.79407384 6.17532547 -6.01749840
0.00008685 -0.00031865 0.00008025
0.03789098 -0.01607739 -0.01049819
-20.59556258 29.89272282 4.28563857
-0.00024409 -0.00041713 0.00030494
-0.00204687 0.02878049 0.02217009
7.89338764 0.83313337 7.47147458
0.00038953 0.00039780 0.00014137
-0.01235525 -0.00901091 -0.01470121
5.87364491 10.95722303 -13.46365743
0.00011753 -0.00037829 -0.00034423
0.00272376 -0.01958257 0.00522031
15.65620543 2.93846849 -1.46070801
-0.00002574 0.00026232 0.00046692
0.00206152 0.03782437 -0.00314021
-4.43476874 12.85497151 -0.78131092
0.00001434 -0.00034891 -0.00008829
-0.01254932 0.00861544 -0.01046979
4.78004895 12.65324182 2.40261692
-0.00017280 0.00016341 -0.00014703
-0.04124076 -0.03179301 0.01014744
24.95072284 -11.36469806 -9.67195016
-0.00023928 0.00014891 0.00044077
0.02293424 -0.04300160 -0.01379136
17.06893757 -3.29673467 -0.79857022
0.00028666 0.00022891 0.00008930
-0.01916248 -0.01211132 0.02515309
13.65349671 7.66443078 10.24808737
0.00045934 -0.00036888 -0.00024944
-0.00770667 -0.02124976 0.00635819
1.90749890 -13.99759184 17.49224446
0.00045483 0.00011297 -0.00003097
0.02191886 0.00337059 0.00317634
-3.60522932 -0.71631792 -14.07014373
0.00016953 -0.00010660 0.00023799
0.02409311 -0.00702608 -0.04189872
15.05555788 -7.67853576 -8.86153013
0.00008409 -0.00039010 -0.00013926
-0.00944271 -0.00914786 -0.01820545
8.42157157 -6.78087917 9.03524635
0.00005516 0.00035768 0.00022808
-0.01472004 -0.01637983 0.03016992
-21.10124496 2.51996354 22.91384038
-0.00006571 0.00021613 0.00016771
-0.00957840 -0.01022011 0.00753875
25.81477291 -3.02780383 -8.25841159
0.00026735 0.00004822 -0.00001770
0.00552151 -0.01639416 -0.00566157
9.94846147 -13.97373385 -8.68654480
-0.00002259 -0.00005473 -0.00032941
-0.00916189 0.01978021 -0.00587229
-6.62763627 -12.15368379 16.99785164
0.00013996 0.00031102 0.00012987
-0.02039828 -0.01989458 -0.02304290
7.34767233 2.62881681 -29.32173774
-0.00026597 -0.00031437 0.00010771
-0.02042721 0.02036890 0.00917984
10.93760683 15.89173549 15.49403652
-0.00014965 0.00034593 0.00030904
-0.05897225 0.01134531 0.01771088
28.88444157 6.47054736 -3.49749063
0.00014658 0.00018626 -0.00007118
-0.01068768 0.01079560 0.00702368
5.08802010 -32.23713163 -3.68859839
-0.00004661 -0.00019497 -0.00061167
0.00690250 0.00065520 0.00079812
4.74004661 -31.92831845 -0.65534353
0.00016590 -0.00059746 -0.00000822
0.01219928 -0.00067308 0.01297654
-12.48176284 -3.03360133 -9.78358961
-0.00030088 0.00097736 -0.00056217
0.00211221 0.00007841 0.00795598
-11.96423531 -0.54855303 -11.06090971
0.00026125 -0.00016693 -0.00010831
-0.00249093 0.01078336 -0.01306880
-38.97758370 2.47695557 1.31159038
-0.00030023 0.00003249 -0.00028473
0.00737845 -0.00132527 -0.01256413
-37.74155141 3.94082854 -0.94135773
0.00023894 -0.00056779 0.00035787
-0.00661306 0.01264617 -0.00855350
-10.86439594 -5.54753889 3.29748497
-0.00054527 0.00062123 0.00116641
-0.00271957 0.01216870 0.01289847
-10.60412476 -2.89747059 4.64641398
-0.00044854 -0.00030638 0.00045425
0.00483769 0.00481989 -0.00477799
4.00652036 -2.41514739 8.41598310
-0.00020771 -0.00097792 -0.00023145
0.00261381 0.01800582 -0.00588099
3.67587196 -4.39564526 10.43741852
0.00023732 -0.00044765 -0.00054419
0.00191476 0.00191320 -0.01785363
-34.80169510 -0.88318287 0.44840079
-0.00052860 0.00012367 0.00082442
0.01938990 0.00047799 0.00382294
-33.58477259 1.55124253 -0.05264908
-0.00051575 -0.00088769 -0.00048007
0.00742537 -0.01775861 0.00684387
13.09275480 13.25170956 -14.81120009
-0.00085030 0.00068213 -0.00069955
0.02355821 -0.01260033 0.00840918
15.78230139 12.29421016 -14.30170391
-0.00042457 -0.00032957 -0.00032008
0.07122680 -0.00489040 -0.03808966
-7.79246954 7.49842517 1.61127035
0.00028807 -0.00017862 -0.00034461
-0.00893965 0.01288264 -0.00137118
-7.38545329 4.82686241 1.62353738
-0.00007559 0.00029421 0.00127871
0.01042842 -0.04167681 -0.02339505
6.20774577 12.27843808 -7.84909280
0.00001466 -0.00018973 0.00021486
-0.00180684 0.00170777 0.00522698
8.45151679 13.52944973 -6.27088249
-0.00079014 -0.00014075 -0.00054652
-0.00929205 -0.01663946 -0.00883096
8.96869955 8.10576556 -19.89147325
0.00030190 -0.00042458 0.00035652
0.00744992 -0.01809338 -0.00897560
10.54006555 10.51694151 -18.97685444
-0.00091378 0.00010309 0.00003031
0.00295406 -0.00210969 -0.00868398
24.29973616 15.87058101 -2.84606956
0.00008472 -0.00086356 -0.00010940
-0.00755700 -0.01091151 0.00155094
24.53059025 18.61809998 -2.89678599
0.00078887 -0.00035101 0.00076872
-0.00367102 0.00683145 0.00218478
1.61308855 16.79884321 -21.32304336
-0.00010362 0.00031280 -0.00013698
-0.01972212 0.00610799 -0.06023619
3.13082858 15.61584750 -19.44096743
-0.00077647 0.00044283 0.00038020
0.02677361 -0.02608138 0.01500434
13.53874169 -2.03433275 -7.19893014
0.00096957 -0.00027295 -0.00006799
-0.00464781 0.00601897 0.01632517
12.63321858 -0.96570607 -4.61050904
-0.00020217 0.00038108 -0.00034256
-0.01395656 -0.00364093 0.00920404
-17.84949167 -2.24488979 3.50025493
0.00098135 -0.00056967 0.00004760
-0.00608159 0.00492643 -0.00756799
-15.19315698 -3.07010941 3.37845436
-0.00003303 0.00005447 0.00119317
0.00703166 0.01881371 -0.00196135
-15.51282111 -0.59797587 19.07567177
0.00118826 -0.00063232 -0.00084195
-0.00995800 -0.02646532 -0.00353015
-14.65211047 -3.38859131 19.59978525
-0.00023138 -0.00053662 -0.00099906
-0.00462627 -0.00183322 -0.00340374
-0.44809193 0.57934292 -5.07613519
-0.00107599 0.00027782 0.00004347
0.00742753 0.00740712 0.00739689
-0.70146689 3.48568409 -5.05450710
-0.00028501 0.00028487 0.00026263
-0.01978780 0.02048240 -0.00097976
23.82391193 -8.57744695 -9.10559718
-0.00065083 0.00000338 0.00063981
0.00751651 -0.00485280 0.00502678
23.62423586 -5.65954686 -8.14055776
-0.00056212 0.00022289 -0.00023457
0.01619798 0.00187352 -0.00026829
-0.61638767 -6.02464578 5.52638538
-0.00049706 0.00030545 -0.00024866
-0.01277333 -0.00640789 -0.01292287
0.81808266 -5.71243906 7.72916009
-0.00042241 0.00100396 -0.00059216
0.00423595 -0.00312595 0.01927507
-0.26549585 -2.44091155 -19.44428833
0.00054986 -0.00044057 0.00069856
-0.00588088 0.01100023 0.01169605
-2.68954643 -2.35353897 -20.63701305
0.00057905 0.00007247 -0.00035080
-0.02597334 -0.00503472 -0.01973677
2.84258884 2.87533907 -10.55752050
-0.00026677 -0.00109603 -0.00056096
-0.00572083 -0.00347951 0.01252959
2.08307755 2.12408879 -7.67135968
0.00026249 0.00091330 0.00115219
-0.00786204 0.00608361 0.01017121
-1.99367900 16.43129544 12.30061794
0.00030654 -0.00037495 -0.00041871
-0.02710650 0.02972139 0.00567477
-2.89333293 18.87115998 13.75062833
0.00056896 0.00070574 -0.00046352
0.00249190 0.00737098 0.01784454
-5.56126441 6.00323598 -11.93347500
-0.00106012 -0.00015598 -0.00183593
0.00612125 0.00192619 0.01678057
-3.70752471 3.82245283 -12.50035678
0.00050516 0.00006283 -0.00060776
0.00241223 0.02665572 0.02566234
-8.19654549 1.30269294 -7.83278508
-0.00065451 0.00087834 0.00003000
0.00163283 -0.01359940 0.01912941
-5.98949061 2.92329914 -8.92991529
0.00087089 0.00016936 0.00049600
-0.03506017 -0.00175650 -0.00084917
2.62643549 27.15870768 7.42688231
-0.00089950 -0.00057090 0.00035927
0.00383053 -0.01000199 -0.03768432
1.43657331 29.01661949 9.07678630
0.00005908 -0.00012146 0.00030474
0.00409496 -0.01353371 0.00955216
10.40343262 -6.79598699 -0.25617521
-0.00015931 0.00014189 0.00070319
-0.01412328 0.00394863 -0.01956762
8.13715792 -7.69620377 -1.93851460
-0.00041584 -0.00034994 0.00096718
0.00745459 0.01143393 0.00280472
-7.37759506 -0.07637614 7.39743412
0.00025357 -0.00008383 0.00073764
0.01266858 0.00519301 -0.01062853
-10.14559278 0.38887308 7.29476704
0.00063156 -0.00046458 -0.00038644
-0.00820740 0.00301904 -0.00641519
20.75223822 11.31430932 10.40386814
-0.00038808 0.00018221 -0.00009561
0.00289719 -0.00019213 0.01508425
20.79923580 12.70960474 7.87143394
0.00139845 0.00068777 -0.00035932
0.00128477 -0.00881908 0.01021924
-1.23120960 -3.89325855 -27.08382746
-0.00144964 0.00038552 -0.00075845
-0.00687923 0.02806877 0.00356503
-3.29062607 -1.82494705 -26.55343374
-0.00034282 -0.00031088 0.00009315
-0.02635945 -0.00119372 0.01949311
-13.64537471 6.62457714 9.90891320
-0.00051906 -0.00082842 0.00056398
0.00578023 -0.00861943 0.00597386
-14.94076200 7.65442514 7.76023258
0.00060370 0.00054717 0.00089189
-0.00487834 0.00240320 -0.00976667
-11.63035088 7.24909957 -1.93596755
-0.00045855 -0.00083818 -0.00062584
-0.00776757 0.00009879 -0.00489964
-9.18750133 8.20384448 -3.30334174
-0.00094027 0.00049256 0.00040183
-0.00539319 -0.01098049 0.02094226
-0.99252414 -16.51627461 22.42158845
-0.00009042 -0.00079936 -0.00006158
0.00998454 -0.02452593 -0.00730550
-3.38584681 -15.52163812 23.78074044
-0.00010284 -0.00050161 0.00043389
0.04233919 0.01583460 -0.02667083
-3.29780788 5.82139289 -7.72850614
-0.00113758 -0.00056734 0.00042884
0.00034916 0.00171465 -0.01442577
-4.27677607 6.66258870 -5.21174913
-0.00015804 0.00059991 0.00025713
-0.03322521 0.01514703 0.01862802
-21.79418544 29.71479271 2.85341614
-0.00061126 -0.00014077 -0.00052031
-0.00132539 0.00569557 0.01350748
-21.31049841 31.14368196 5.53790839
-0.00017206 -0.00001512 -0.00039388
0.00448268 -0.02540595 -0.02806110
7.17779538 0.13859204 5.86390171
-0.00028401 0.00083703 -0.00085981
0.00960126 -0.00090118 0.01075719
6.91113121 2.35453048 7.68206673
-0.00051084 0.00043948 -0.00100105
0.00802426 0.00840288 0.00642518
7.00096883 12.24436567 -12.85537947
0.00074563 -0.00067414 0.00017678
0.01173332 0.01233807 0.00410914
5.23287096 11.73793927 -14.92626154
0.00049681 -0.00128890 0.00080844
-0.01131191 0.00810323 -0.02364408
14.29394291 4.11177920 -1.96868299
0.00048604 0.00010921 -0.00007780
0.00963058 -0.01031469 -0.00002391
14.86495223 1.41032332 -1.03296901
0.00045592 0.00060631 0.00029128
-0.01323321 -0.02522263 0.00297886
-3.10314241 11.76415614 -0.22231581
-0.00060440 -0.00095085 0.00015450
-0.00278368 -0.00480874 0.00769814
-5.94944446 12.77906165 0.32872084
0.00011705 -0.00064946 -0.00062992
0.01779902 -0.00562845 -0.00204448
3.29363851 11.41509912 2.32054379
0.00063363 -0.00045153 0.00029918
0.03406041 0.02325171 0.01011221
6.21309416 11.57021499 2.84428593
0.00098443 -0.00004579 -0.00043884
0.00903515 -0.00387383 0.00051471
25.28447365 -12.98264290 -8.80997338
-0.00023125 -0.00041938 0.00005123
-0.01327689 0.02016745 0.00851253
25.78080598 -11.78488896 -11.32552086
-0.00049873 -0.00051680 -0.00076124
-0.00605843 0.01998145 0.01240643
15.87428979 -2.80185854 0.54958209
0.00026976 -0.00000872 -0.00080832
0.00914732 0.00060300 -0.01791638
16.85628611 -5.14001195 -0.75118610
0.00041239 0.00107806 -0.00031330
0.00881828 0.00780199 -0.00631489
12.47257812 8.09498261 11.67891851
0.00069483 0.00004658 0.00092988
0.01432151 -0.00224864 -0.01819943
14.13762899 9.17270364 9.40032044
0.00117494 -0.00065179 0.00023016
-0.00385350 0.02104061 0.00171096
0.19143304 -14.50654723 17.20074689
-0.00009472 0.00061758 -0.00001186
-0.01481236 -0.00197182 0.00038735
1.99603751 -12.75915360 18.83383882
-0.00036751 -0.00019747 -0.00055398
-0.00849643 0.00408302 -0.00485542
-3.51336880 -1.39404309 -12.42877108
0.00048780 0.00055212 0.00047594
0.00094627 -0.01849754 0.02615470
-2.38844405 -1.80779174 -15.07903536
0.00008729 0.00065032 0.00042367
-0.03337197 0.02624435 0.01920971
14.42603808 -8.10464670 -10.60071838
-0.00052608 -0.00047799 0.00058231
0.01709807 0.00371132 0.02221871
16.41675241 -6.40607344 -9.06643136
0.00104306 0.00042605 -0.00007449
-0.00050892 -0.00049598 -0.00361820
7.24860108 -5.40428819 8.86649364
0.00095074 0.00022522 0.00018715
-0.00832900 0.00403443 -0.00727072
9.80301872 -6.42465646 8.00501904
-0.00042105 0.00091245 -0.00027640
0.02319955 0.01257090 -0.02487469
-20.77945573 2.16295690 21.16833164
0.00072349 0.00016170 -0.00045979
0.00430625 0.00598973 -0.01879402
-22.28772687 1.12914010 23.27297883
0.00062870 0.00031977 -0.00087795
0.00247285 0.01076937 0.01174596
27.14286999 -2.84024101 -7.02576308
0.00055164 -0.00035385 -0.00020002
0.00465447 -0.00375529 0.00933704
25.67583133 -1.35373026 -8.99940994
-0.00016903 0.00039848 -0.00014366
-0.00908437 0.00829713 0.00127860
9.90908407 -15.46876590 -7.73191022
-0.00023988 -0.00033060 0.00054326
0.00107294 -0.02602077 0.01191256
8.96444454 -12.77315665 -7.66386656
-0.00060850 0.00021376 -0.00125866
0.00482398 0.00422661 -0.00276550
-5.75089758 -11.30657120 18.28828003
-0.00013005 0.00021643 -0.00034535
0.01608314 0.02227188 0.02235744
-6.71336258 -11.01539080 15.54898899
0.00010645 0.00042239 0.00021985
0.00061737 0.00097080 0.00610138
8.85027625 1.75433709 -29.61380154
0.00002732 0.00006719 -0.00065107
0.02752312 -0.02100629 -0.00799471
6.01671721 1.83074862 -30.34258926
0.00025840 -0.00140535 -0.00032154
0.00202777 0.00885688 0.00502431
12.44881389 15.54091722 14.67027439
-0.00089111 0.00088863 -0.00036517
0.04957563 -0.01806692 -0.02987599
11.44465546 16.35536666 17.15412571
-0.00110874 0.00006307 -0.00066258
-0.00385995 0.00240562 0.01602433
29.07739068 5.31579211 -4.89663190
0.00051477 -0.00020611 0.00020517
0.00091195 -0.01086690 -0.00612102
27.15467024 7.15973077 -3.76557656
-0.00006036 0.00051260 0.00043046
0.01359579 -0.00955355 0.00068305
-9.94493198 5.17687832 6.37938327
0.00002589 0.00028918 -0.00012959
-0.00037593 -0.00180130 0.00704746
-8.91412641 13.37865460 2.63090348
-0.00013486 0.00000697 0.00005929
-0.00108475 -0.00007673 0.00161979
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09437403
0.31830417
424.12435437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4348762052 (a.u.)
total exchange computation time: 2.6658370495 s
-154.3245342478
-931.40823536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4338910509 (a.u.)
total exchange computation time: 2.6664710045 s
-154.3330534124
Anderson extrapolation: theta=1.3403348888 (1.3403348888)
-931.40845868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4324316414 (a.u.)
total exchange computation time: 2.6662819386 s
-154.3454738601
Anderson extrapolation: theta=0.0508044901 (0.0508044901)
-931.40859137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4322504261 (a.u.)
total exchange computation time: 2.6641619205 s
-154.3469177440
Anderson extrapolation: theta=1.8858924939 (1.8858924939)
-931.40859608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4318770512 (a.u.)
total exchange computation time: 2.6665120125 s
-154.3498290030
Anderson extrapolation: theta=0.2155372949 (0.2155372949)
-931.40860061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.702 s
total exchange = -52.4317863624 (a.u.)
total exchange computation time: 2.6666138172 s
-154.3504778863
Anderson extrapolation: theta=1.8865945840 (1.8865945840)
-931.40860137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4316385445 (a.u.)
total exchange computation time: 2.6661810875 s
-154.3514675496
Anderson extrapolation: theta=0.2860037860 (0.2860037860)
-931.40860219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.705 s
total exchange = -52.4316210465 (a.u.)
total exchange computation time: 2.6687819958 s
-154.3515158448
Anderson extrapolation: theta=1.3040114708 (1.3040114708)
-931.40860236
-208.146954 69.283288 97.454957
560.961909 1031.443088 -409.141283
352.814955 1100.726376 -311.686326
1197.173885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4316180236 (a.u.)
total exchange computation time: 2.6664259434 s
679.68738850
-1085.68976239
89.83632452
-387.82189555
-174.98903948
79.31586418
551.60419304
0.00000000
-931.40860244
4.03777301 -31.65820259 -2.29898555
-0.00019386 -0.00039357 -0.00032398
-0.01874868 0.00527407 -0.02815621
-11.77687304 -1.37237518 -9.48156314
-0.00040539 0.00007136 -0.00027473
-0.00130165 -0.00892544 0.00495159
-37.51920148 2.53365936 0.17061062
0.00007493 0.00040362 -0.00025652
-0.00152732 -0.01027437 0.01861417
-11.80571089 -4.17598005 4.17250419
0.00000193 0.00001202 0.00021588
-0.00863200 -0.01182761 0.00239240
3.88906221 -4.20028912 8.55923809
-0.00024931 -0.00009378 -0.00029046
-0.00494577 -0.02331293 0.02962656
-33.07680445 -0.21155976 0.28095819
-0.00065019 0.00032597 0.00033581
-0.02293041 0.01020401 -0.01029995
14.27943693 12.55053723 -13.54035952
0.00002330 0.00013176 0.00006982
-0.09325088 0.02380060 0.01620550
-7.72322889 6.11596181 2.77868046
0.00014123 0.00000930 0.00006334
0.00072320 0.03593375 0.03232214
7.23160972 12.04560076 -6.34655150
0.00003544 -0.00016379 -0.00037133
0.01521561 0.01593643 -0.00006155
8.89094742 9.73664920 -19.20504267
0.00018920 -0.00034354 -0.00010342
-0.02100083 0.01769958 0.01572845
23.23839326 17.35339252 -2.55990418
0.00025884 0.00003537 -0.00036911
0.02363962 -0.01048102 -0.00204719
1.99505553 16.96923380 -19.63106947
-0.00013160 0.00013282 0.00011056
-0.01309561 0.02717073 0.04561139
14.02265117 -0.99911808 -5.73575344
-0.00001103 -0.00036820 0.00018111
0.01910299 -0.01505695 -0.01558113
-16.20679814 -1.50598394 3.21303682
-0.00033197 -0.00030684 0.00011233
0.00912777 -0.02263621 0.01185481
-15.93531647 -2.40369648 18.71586724
0.00037786 -0.00010468 -0.00004578
0.00365790 0.02719340 0.00157376
0.43474175 2.17693432 -4.59281346
0.00010381 0.00007559 0.00006917
0.01085666 -0.02834906 -0.01026066
22.77468508 -7.11716938 -8.80846007
0.00011248 -0.00003868 0.00000978
-0.02791387 0.00750833 -0.00367588
-0.79737323 -6.47288763 7.28350187
-0.00000855 -0.00009579 -0.00010983
0.01015028 0.01572530 -0.01586949
-1.83255754 -1.44140824 -19.35033005
-0.00009458 -0.00010816 -0.00008517
0.03942748 -0.00892506 0.00746725
2.99273526 1.62565556 -9.17625296
-0.00027553 0.00016246 -0.00007702
0.00310323 0.00755523 -0.02179304
-3.43273199 17.76801039 12.42972455
0.00031941 0.00012755 0.00018406
0.01834348 -0.03461784 -0.02658541
-3.93412361 5.31231319 -11.31691818
0.00007485 0.00028930 -0.00003450
-0.00883484 -0.03150493 -0.04040650
-7.86720931 2.70781022 -8.89774255
-0.00006415 -0.00001500 -0.00011326
0.03560279 0.03200706 -0.02702758
2.57303832 27.55142385 9.15166434
0.00012386 0.00005657 0.00042277
-0.01307328 0.01989140 0.02847010
9.27095349 -6.26148205 -1.67099690
-0.00027481 0.00005241 0.00014214
0.00921294 -0.01852513 0.02162936
-8.65032866 0.66818373 6.29084251
-0.00013097 -0.00013518 0.00027720
0.00445820 -0.00821978 0.01446400
20.54990122 11.01318366 8.64496815
-0.00000603 0.00004808 -0.00016845
-0.00238060 0.00601582 -0.02806069
-1.95618075 -2.23421135 -27.65644480
0.00010756 -0.00015422 -0.00014072
0.01808710 -0.01166754 -0.01700145
-13.99133547 6.14682551 8.18474694
0.00040269 -0.00000683 0.00027202
0.00007899 0.00788272 0.00271223
-9.82237509 7.19915695 -1.79913203
-0.00020467 -0.00005927 0.00042531
0.01025878 0.01527955 -0.02892390
-1.79589199 -14.94049411 22.78722855
-0.00005797 0.00046069 -0.00064364
-0.05426045 -0.00662629 0.03110019
-2.79262488 6.17048373 -6.01633514
0.00010478 -0.00032656 0.00007540
0.03181704 -0.01470525 -0.00834642
-20.59923186 29.88657692 4.29029822
-0.00024589 -0.00040268 0.00031501
-0.00494326 0.02739443 0.01696172
7.89918290 0.83906557 7.47353848
0.00038197 0.00039342 0.00013245
-0.01701694 -0.00801408 -0.01998191
5.87541833 10.95147307 -13.46880078
0.00012071 -0.00038939 -0.00033828
0.00963033 -0.02356048 0.01793164
15.65582735 2.94254920 -1.45371629
-0.00002367 0.00028237 0.00046511
0.00595749 0.04014869 -0.00389888
-4.43460204 12.84977116 -0.78267559
0.00000839 -0.00034454 -0.00009392
-0.01057478 0.00835095 -0.01144688
4.77729783 12.65557028 2.40045062
-0.00019222 0.00014623 -0.00014140
-0.03426801 -0.03500809 0.01173217
24.94722207 -11.36263032 -9.66539178
-0.00022675 0.00012599 0.00043247
0.02579341 -0.04611973 -0.01847443
17.07316353 -3.29334768 -0.79713377
0.00027771 0.00022387 0.00010123
-0.01561745 -0.00749953 0.02123968
13.66035715 7.65881560 10.24437029
0.00045463 -0.00037995 -0.00024515
-0.01062954 -0.02180900 0.01034362
1.91440597 -13.99588430 17.49179213
0.00046494 0.00011367 -0.00003024
0.01738182 -0.00064150 -0.00034736
-3.60259347 -0.71794400 -14.06673552
0.00018128 -0.00010963 0.00021707
0.02161759 -0.00477129 -0.03945119
15.05678280 -7.68442250 -8.86368919
0.00008066 -0.00039335 -0.00014788
-0.00387496 -0.00350725 -0.01533871
8.42234214 -6.77557710 9.03878395
0.00004873 0.00034852 0.00024341
-0.01026973 -0.01924930 0.02943507
-21.10226756 2.52316609 22.91638512
-0.00006955 0.00021148 0.00016969
-0.00534974 -0.00787328 0.00014379
25.81880439 -3.02714371 -8.25869888
0.00027012 0.00004033 -0.00002091
0.00527113 -0.01431914 -0.00682140
9.94808730 -13.97447853 -8.69150864
-0.00002721 -0.00004614 -0.00033167
-0.00881511 0.01362467 -0.00288939
-6.62561555 -12.14909522 16.99971087
0.00012900 0.00030030 0.00011727
-0.02223993 -0.02180493 -0.02597907
7.34360401 2.62417979 -29.32008663
-0.00027623 -0.00030470 0.00011196
-0.01946147 0.01724537 0.00733482
10.93513464 15.89696814 15.49874039
-0.00018134 0.00035113 0.00031586
-0.06428657 0.00887478 0.00882647
28.88659898 6.47338292 -3.49853130
0.00014103 0.00019184 -0.00006762
-0.01086805 0.01091075 0.00684625
5.08753244 -32.24003604 -3.69774901
-0.00002045 -0.00019127 -0.00060551
0.00590113 0.00115550 0.00221723
4.74290888 -31.93730100 -0.65506924
0.00021228 -0.00059869 0.00003821
0.01050824 0.00007424 0.00975261
-12.48621129 -3.01893859 -9.79177835
-0.00029722 0.00096563 -0.00053085
-0.00032297 -0.00581807 0.00737476
-11.96039296 -0.55072659 -11.06293482
0.00025102 -0.00011953 -0.00016608
-0.00251589 0.01241851 -0.01521250
-38.98186107 2.47740234 1.30693437
-0.00026687 0.00002743 -0.00033848
0.00895127 -0.00115102 -0.01374262
-37.73817003 3.93269927 -0.93625179
0.00020953 -0.00050179 0.00031179
-0.00778272 0.01966083 -0.01400474
-10.87265839 -5.53784762 3.31537635
-0.00054895 0.00065984 0.00121147
0.00092271 0.00673523 0.00916043
-10.61070457 -2.90191860 4.65308126
-0.00042400 -0.00028158 0.00043664
0.00717551 0.00732187 -0.00383950
4.00348483 -2.42926446 8.41233112
-0.00019607 -0.00088906 -0.00025665
0.00308227 0.02549233 -0.00645267
3.67949037 -4.40230138 10.42870856
0.00024448 -0.00044002 -0.00061384
0.00159159 0.00182275 -0.01624204
-34.80902990 -0.88131317 0.46088418
-0.00044952 0.00012520 0.00083987
0.01931964 0.00027219 0.00374409
-33.59228123 1.53738304 -0.05964047
-0.00048880 -0.00094594 -0.00045449
0.00576670 -0.01075730 0.00567694
13.08072214 13.26155535 -14.82143573
-0.00074366 0.00062437 -0.00065486
0.02864682 -0.01566974 0.01347067
15.77811542 12.28911682 -14.30767226
-0.00013360 -0.00034987 -0.00047675
0.07120415 -0.00504947 -0.03860110
-7.78842237 7.49614070 1.60605919
0.00025151 -0.00012783 -0.00034872
-0.00895988 0.01197480 -0.00064207
-7.38626758 4.82999847 1.64200107
-0.00002969 0.00011006 0.00117136
0.01204112 -0.04846668 -0.02915017
6.20791035 12.27564445 -7.84570969
0.00000240 -0.00018231 0.00023009
-0.00419779 0.00192686 0.00222930
8.43937998 13.52682853 -6.27935093
-0.00082407 -0.00020500 -0.00058124
-0.00731926 -0.01480901 -0.00816184
8.97345627 8.09884243 -19.88640051
0.00033293 -0.00049909 0.00031946
0.00773930 -0.01838240 -0.00916575
10.52644930 10.51842315 -18.97666589
-0.00089063 0.00009853 -0.00000396
0.00837886 -0.00012180 -0.00809177
24.30077542 15.85729323 -2.84766300
0.00004963 -0.00090061 -0.00010200
-0.00962130 -0.00722300 0.00207050
24.54231086 18.61304419 -2.88518817
0.00077477 -0.00032278 0.00077641
-0.00323330 0.00698863 0.00157874
1.61092992 16.80372233 -21.32694381
-0.00018227 0.00033797 -0.00037692
-0.01877701 0.00621585 -0.05721876
3.12000198 15.62169076 -19.43480461
-0.00066105 0.00032831 0.00044225
0.02972521 -0.02998041 0.01536991
13.55314285 -2.03824262 -7.19944973
0.00094898 -0.00024913 -0.00000176
-0.00543025 0.00564383 0.01609358
12.62975843 -0.96010142 -4.61536545
-0.00026146 0.00036532 -0.00030450
-0.01507072 -0.00407467 0.00942615
-17.83495782 -2.25328385 3.50073709
0.00093969 -0.00055525 0.00001918
-0.01430855 0.00213152 -0.00634447
-15.19343694 -3.06871580 3.39629181
-0.00000270 0.00013090 0.00118430
0.00781311 0.01859552 -0.00238232
-15.49530230 -0.60827161 19.06293433
0.00114875 -0.00073463 -0.00085493
-0.00938546 -0.02361770 -0.00282389
-14.65572287 -3.39669685 19.58469512
-0.00024338 -0.00054856 -0.00100789
-0.00125017 -0.00400954 -0.00092152
-0.46400418 0.58373715 -5.07525654
-0.00104151 0.00031062 0.00007500
0.00944866 0.00865011 0.00804052
-0.70634847 3.49058472 -5.05059774
-0.00036126 0.00036498 0.00026053
-0.01753511 0.01873654 -0.00004768
23.81437982 -8.57754500 -9.09584604
-0.00061432 -0.00002272 0.00065909
0.01035388 -0.00792326 0.00441407
23.61630044 -5.65614603 -8.14408452
-0.00049348 0.00023215 -0.00023424
0.01740307 0.00265865 0.00042726
-0.62423497 -6.02026042 5.52225942
-0.00054993 0.00027787 -0.00029855
-0.01310792 -0.00708937 -0.01149444
0.81187627 -5.69747544 7.72086827
-0.00040425 0.00099069 -0.00051275
0.00465706 -0.00337242 0.01959870
-0.25742820 -2.44718296 -19.43345157
0.00051762 -0.00039097 0.00074597
-0.00990150 0.01327903 0.01151343
-2.68165654 -2.35260625 -20.64287986
0.00047232 0.00005023 -0.00043333
-0.02627463 -0.00585125 -0.02066388
2.83841194 2.85879201 -10.56555102
-0.00029106 -0.00110453 -0.00051289
-0.00616682 -0.00068031 0.01100191
2.08677393 2.13797478 -7.65376511
0.00023661 0.00093466 0.00118191
-0.00480326 0.00436978 0.00437517
-1.98991154 16.42658190 12.29451117
0.00019491 -0.00025129 -0.00039394
-0.02753462 0.03081052 0.00644979
-2.88472220 18.88197199 13.74422227
0.00057978 0.00073500 -0.00039046
0.00280616 0.00695105 0.01792203
-5.57697870 6.00095526 -11.96049975
-0.00102102 -0.00015292 -0.00175946
0.01301976 -0.00042520 0.02065076
-3.69987332 3.82421204 -12.50868684
0.00051505 0.00017543 -0.00049880
0.00242760 0.02846647 0.02767361
-8.20631312 1.31545129 -7.83174893
-0.00064856 0.00081613 0.00011278
0.00128171 -0.01685195 0.02139120
-5.97750166 2.92578577 -8.92250125
0.00071684 0.00016052 0.00049226
-0.04034558 -0.00257070 -0.00098336
2.61306044 27.14983773 7.43111654
-0.00088434 -0.00061085 0.00020984
0.00358832 -0.00955550 -0.03545872
1.43758491 29.01438286 9.08165011
0.00007468 -0.00017507 0.00034391
0.00354331 -0.01270640 0.00962181
10.40061025 -6.79373759 -0.24622698
-0.00021929 0.00015974 0.00061938
-0.01524160 0.00478618 -0.02145516
8.13114869 -7.70110254 -1.92392097
-0.00038349 -0.00030021 0.00097841
0.00838195 0.01291065 0.00269159
-7.37340330 -0.07747440 7.40817309
0.00030032 -0.00005955 0.00068933
0.01021551 0.00669280 -0.01302030
-10.13637084 0.38199693 7.28877389
0.00058548 -0.00045404 -0.00040456
-0.01434908 0.00214129 -0.00245627
20.74650573 11.31703657 10.40289620
-0.00037656 0.00018105 -0.00003517
0.00274389 -0.00037301 0.01450143
20.82025194 12.71965098 7.86635723
0.00140139 0.00064343 -0.00031375
0.00015193 -0.01288093 0.01208923
-1.25316497 -3.88661569 -27.09509494
-0.00147016 0.00048708 -0.00074029
-0.00316723 0.02164577 0.00532536
-3.29657611 -1.82964687 -26.55143921
-0.00044404 -0.00031703 0.00016656
-0.02319005 -0.00181710 0.01644087
-13.65298350 6.61188665 9.91755593
-0.00049453 -0.00086387 0.00058998
0.00622527 -0.00873182 0.00675374
-14.93185599 7.66270637 7.77331160
0.00058524 0.00055443 0.00085203
-0.00415713 0.00114906 -0.00974586
-11.63746714 7.23652995 -1.94550527
-0.00048598 -0.00083847 -0.00064419
-0.00566165 -0.00024168 -0.00408379
-9.20177064 8.21089635 -3.29667256
-0.00096061 0.00044692 0.00048807
-0.00456289 -0.01136035 0.02127153
-0.99357443 -16.52901650 22.42044090
-0.00005533 -0.00088527 -0.00008870
0.00719076 -0.01752825 -0.00597157
-3.38609200 -15.52867708 23.78643159
0.00007433 -0.00043295 0.00032112
0.04438680 0.01777567 -0.02853286
-3.31486095 5.81293535 -7.72251553
-0.00113448 -0.00056004 0.00037031
0.00117258 0.00185729 -0.01422733
-4.28016482 6.67205144 -5.20732140
-0.00028298 0.00065917 0.00032859
-0.02793222 0.01386436 0.01635253
-21.80339496 29.71285573 2.84602538
-0.00061009 -0.00011667 -0.00045819
0.00189726 0.00610214 0.01690182
-21.31294188 31.14267670 5.53114027
-0.00015477 -0.00011691 -0.00050530
0.00397944 -0.02442088 -0.02647952
7.17382949 0.15111988 5.85133427
-0.00023961 0.00083464 -0.00080688
0.01213056 -0.00027063 0.01515124
6.90371449 2.36138023 7.66724786
-0.00047391 0.00046981 -0.00097313
0.01005465 0.00644336 0.00724277
7.01251280 12.23463159 -12.85260189
0.00078842 -0.00062811 0.00019058
0.00921135 0.01019443 0.00264663
5.23997649 11.71885407 -14.91485943
0.00044102 -0.00124314 0.00068918
-0.01599747 0.01429847 -0.03473506
14.30152859 4.11310122 -1.96985078
0.00052189 0.00006949 -0.00007839
0.00792116 -0.00912686 -0.00026508
14.87138551 1.41864510 -1.02850852
0.00039760 0.00049560 0.00030552
-0.01531456 -0.02897302 0.00399348
-3.11229375 11.74974604 -0.21976235
-0.00061524 -0.00097046 0.00018532
-0.00252338 -0.00478890 0.00738674
-5.94714336 12.76914726 0.31920938
0.00018536 -0.00067182 -0.00063564
0.01564195 -0.00531674 -0.00075715
3.30418662 11.40903875 2.32534131
0.00076908 -0.00035794 0.00033985
0.03224733 0.02255787 0.00979754
6.22813746 11.56940939 2.83771915
0.00101148 -0.00005435 -0.00043951
0.00420865 -0.00031460 -0.00084178
25.28059808 -12.98831565 -8.80894413
-0.00028597 -0.00033371 0.00008448
-0.01350829 0.02176980 0.00776336
25.77313939 -11.79202871 -11.33655923
-0.00052790 -0.00043208 -0.00069977
-0.00822103 0.02148922 0.01767938
15.87861649 -2.80197082 0.53690828
0.00030100 -0.00000308 -0.00087401
0.00614461 0.00215628 -0.01424163
16.86274223 -5.12360198 -0.75607916
0.00044706 0.00109726 -0.00033898
0.00815201 0.00159737 -0.00625575
12.48343936 8.09561236 11.69230899
0.00075760 0.00003517 0.00084865
0.01640531 -0.00333625 -0.02156034
14.15513499 9.16357151 9.40382528
0.00116014 -0.00056213 0.00023545
-0.00339045 0.02284714 0.00087622
0.18955827 -14.49734392 17.20058086
-0.00014848 0.00061003 -0.00001069
-0.01149973 -0.00172322 0.00018392
1.99026457 -12.76199051 18.82538027
-0.00040007 -0.00017347 -0.00056624
-0.00744225 0.00766286 -0.00114362
-3.50602278 -1.38632806 -12.42083056
0.00049192 0.00047701 0.00058115
0.00106965 -0.01827303 0.02534868
-2.38815726 -1.79723276 -15.07209168
-0.00004450 0.00075264 0.00049841
-0.03114301 0.02384493 0.01737547
14.41867089 -8.11170286 -10.59130281
-0.00045647 -0.00046316 0.00066717
0.01697262 0.00354815 0.01931646
16.43238268 -6.39969782 -9.06765964
0.00102999 0.00041422 -0.00008904
-0.00588607 -0.00529887 -0.00350171
7.26260697 -5.40078632 8.86907814
0.00090856 0.00024874 0.00015777
-0.01231876 0.00747842 -0.00711311
9.79741382 -6.41058449 8.00011077
-0.00032691 0.00096190 -0.00037676
0.02288396 0.01163438 -0.02424934
-20.76847142 2.16556591 21.16085891
0.00073891 0.00018909 -0.00052468
0.00324091 0.00741892 -0.01297062
-22.27822054 1.13426661 23.26016946
0.00063211 0.00035619 -0.00082707
-0.00080425 0.00705988 0.01316199
27.15128722 -2.84566382 -7.02847726
0.00056940 -0.00036841 -0.00016289
0.00403781 -0.00337015 0.00883951
25.67301755 -1.34749879 -9.00152568
-0.00020511 0.00042749 -0.00013521
-0.00857669 0.00590483 0.00285731
9.90551869 -15.47452220 -7.72339623
-0.00023556 -0.00042420 0.00058461
0.00104399 -0.01979823 0.00832550
8.95546492 -12.76982073 -7.68283117
-0.00058852 0.00023083 -0.00126870
0.00495375 0.00413060 -0.00215265
-5.75235550 -11.30264221 18.28378483
-0.00006026 0.00031105 -0.00024752
0.01807805 0.02404432 0.02553293
-6.71174692 -11.00902518 15.55247370
0.00010868 0.00042644 0.00024394
0.00047280 0.00101306 0.00569047
8.85152947 1.75470123 -29.62381261
0.00013643 -0.00001534 -0.00068242
0.02588557 -0.01939382 -0.00734936
6.02065530 1.80993973 -30.34725840
0.00026827 -0.00136559 -0.00029838
0.00280658 0.01060789 0.00631456
12.43696638 15.55369300 14.66388135
-0.00068409 0.00081439 -0.00048842
0.05176412 -0.01827500 -0.03045399
11.42790614 16.35638642 17.14467812
-0.00111728 0.00007806 -0.00057775
-0.00032107 0.00493282 0.02549877
29.08514013 5.31236753 -4.89374192
0.00051630 -0.00024861 0.00018130
-0.00015982 -0.00994056 -0.00556370
27.15418141 7.16712700 -3.75909867
-0.00000203 0.00047144 0.00043201
0.01495781 -0.01059428 0.00007317
-9.94454457 5.18121118 6.37745829
0.00002573 0.00028852 -0.00012704
-0.00052026 -0.00187412 0.00720534
-8.91615122 13.37875897 2.63179572
-0.00013513 0.00000696 0.00005968
-0.00124686 0.00001160 0.00168039
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09438076
0.31422168
418.68462883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4352467975 (a.u.)
total exchange computation time: 2.6655271053 s
-154.3250188707
-931.40427411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4341870194 (a.u.)
total exchange computation time: 2.6639299393 s
-154.3341463190
Anderson extrapolation: theta=1.3396328126 (1.3396328126)
-931.40450253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.704 s
total exchange = -52.4326276879 (a.u.)
total exchange computation time: 2.6656210423 s
-154.3473987174
Anderson extrapolation: theta=0.0509252439 (0.0509252439)
-931.40463814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4324412988 (a.u.)
total exchange computation time: 2.6681790352 s
-154.3489022700
Anderson extrapolation: theta=1.8820056888 (1.8820056888)
-931.40464295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4320598440 (a.u.)
total exchange computation time: 2.6663749218 s
-154.3519211351
Anderson extrapolation: theta=0.2164847766 (0.2164847766)
-931.40464754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.703 s
total exchange = -52.4319680239 (a.u.)
total exchange computation time: 2.6659870148 s
-154.3525939517
Anderson extrapolation: theta=1.8828180669 (1.8828180669)
-931.40464831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4318192879 (a.u.)
total exchange computation time: 2.6651728153 s
-154.3536198323
Anderson extrapolation: theta=0.2863985520 (0.2863985520)
-931.40464912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.707 s
total exchange = -52.4318022279 (a.u.)
total exchange computation time: 2.6661748886 s
-154.3536725343
Anderson extrapolation: theta=1.3027206692 (1.3027206692)
-931.40464928
-208.181604 69.318708 97.419336
560.973016 1031.435023 -409.144416
352.791413 1100.753732 -311.725080
1197.202190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.706 s
total exchange = -52.4318003026 (a.u.)
total exchange computation time: 2.6660001278 s
679.69462469
-1085.71328591
89.83847154
-387.80268130
-174.98997807
79.33063644
551.60419304
0.00000000
-931.40464935
4.03479278 -31.66408574 -2.30395387
-0.00020278 -0.00039114 -0.00033782
-0.01594526 0.00415746 -0.02565690
-11.78295897 -1.37133924 -9.48566502
-0.00040538 0.00006804 -0.00027162
0.00135251 -0.00397751 0.00714931
-37.51808345 2.53967403 0.16683469
0.00007407 0.00039656 -0.00024528
-0.00179554 -0.01717238 0.02506747
-11.80571530 -4.17584541 4.17575162
-0.00000409 0.00000692 0.00021791
-0.01475881 -0.00800387 0.00548988
3.88530354 -4.20178574 8.55499547
-0.00025190 -0.00010739 -0.00027565
-0.00514201 -0.02962279 0.02795409
-33.08664572 -0.20663085 0.28595558
-0.00066131 0.00032930 0.00033086
-0.02033824 0.00273287 -0.00893799
14.27942675 12.55260549 -13.53924969
-0.00002469 0.00014446 0.00007667
-0.09336504 0.02555992 0.01042387
-7.72110763 6.11623987 2.77975527
0.00014126 0.00002943 0.00008086
-0.00060032 0.04235628 0.03580357
7.23220008 12.04320538 -6.35212162
0.00004323 -0.00015623 -0.00037078
0.01505828 0.01346090 0.00218146
8.89370436 9.73156440 -19.20653337
0.00017691 -0.00033503 -0.00009555
-0.02678557 0.01538317 0.01488983
23.24236709 17.35388268 -2.56544878
0.00027140 0.00002902 -0.00037003
0.02518807 -0.01422805 -0.00151949
1.99303095 16.97133087 -19.62923521
-0.00013922 0.00014741 0.00013252
-0.01653003 0.02956218 0.03981717
14.02255943 -1.00469920 -5.73309689
-0.00000087 -0.00037559 0.00017331
0.02040873 -0.01366675 -0.01475145
-16.21174246 -1.51067391 3.21476750
-0.00032535 -0.00031751 0.00011817
0.01660891 -0.01884392 0.01084187
-15.92963453 -2.40516180 18.71518662
0.00037866 -0.00009102 -0.00004579
-0.00053930 0.02591487 -0.00162834
0.43634079 2.17795879 -4.59181547
0.00010833 0.00006139 0.00006343
0.00671238 -0.02687984 -0.01207046
22.77626465 -7.11772069 -8.80832758
0.00009723 -0.00003416 0.00000786
-0.03142077 0.01007768 -0.00378519
-0.79746229 -6.47426379 7.28179316
-0.00000328 -0.00008750 -0.00011843
0.01031902 0.01651358 -0.01756806
-1.83382418 -1.44306511 -19.35157874
-0.00007349 -0.00011314 -0.00008116
0.04259997 -0.01043425 0.00809463
2.98861427 1.62812155 -9.17749226
-0.00027461 0.00016591 -0.00008615
0.00048293 0.00586873 -0.01371364
-3.42787002 17.76979010 12.43238284
0.00032872 0.00010968 0.00017036
0.01785737 -0.03485659 -0.02667805
-3.93303493 5.31653116 -11.31759149
0.00006874 0.00027328 -0.00005641
-0.01493705 -0.03078424 -0.04481087
-7.86803427 2.70770866 -8.89954575
-0.00004474 0.00000214 -0.00012757
0.03986779 0.03464634 -0.02858901
2.57484582 27.55234916 9.15811576
0.00011742 0.00006629 0.00043635
-0.01199416 0.01791662 0.02433153
9.26686687 -6.26076742 -1.66878144
-0.00027004 0.00004238 0.00015363
0.00932277 -0.02047361 0.02307685
-8.65227595 0.66612429 6.29505628
-0.00012645 -0.00013948 0.00028417
0.01308809 -0.00848264 0.01264656
20.54980165 11.01392804 8.64233321
-0.00000694 0.00005215 -0.00018298
-0.00117631 0.00983655 -0.02846273
-1.95449755 -2.23656966 -27.65862120
0.00011478 -0.00015802 -0.00014903
0.00998874 -0.00312688 -0.01529650
-13.98529474 6.14675346 8.18883763
0.00040240 -0.00000239 0.00027320
-0.00121213 0.00937458 0.00188405
-9.82540557 7.19832689 -1.79286398
-0.00020030 -0.00005130 0.00041024
0.00673363 0.01568239 -0.02968684
-1.79697083 -14.93360930 22.77769385
-0.00008532 0.00045494 -0.00062759
-0.05209834 -0.01571868 0.03131399
-2.79093045 6.16552854 -6.01523626
0.00011929 -0.00033369 0.00007172
0.02459760 -0.01298685 -0.00599039
-20.60293928 29.88064236 4.29508873
-0.00024903 -0.00038908 0.00032232
-0.00725879 0.02550396 0.01149335
7.90484688 0.84493594 7.47544822
0.00037210 0.00038963 0.00012097
-0.02139473 -0.00673788 -0.02467831
5.87726606 10.94554135 -13.47380580
0.00012742 -0.00040238 -0.00032592
0.01649152 -0.02693794 0.03013754
15.65549524 2.94693965 -1.44675464
-0.00001969 0.00030324 0.00046305
0.00952638 0.04100301 -0.00412796
-4.43451693 12.84463523 -0.78412856
0.00000359 -0.00034036 -0.00010008
-0.00810240 0.00792574 -0.01250288
4.77428233 12.65762867 2.39837482
-0.00020790 0.00012760 -0.00013499
-0.02669015 -0.03744000 0.01322488
24.94392029 -11.36091837 -9.65897593
-0.00021290 0.00010167 0.00042190
0.02805279 -0.04844380 -0.02264253
17.07726901 -3.29001854 -0.79553345
0.00027074 0.00022127 0.00011103
-0.01152411 -0.00261658 0.01688855
13.66713559 7.65303217 10.24073300
0.00044858 -0.00039117 -0.00023902
-0.01290111 -0.02182228 0.01346976
1.92144714 -13.99418171 17.49133712
0.00047263 0.00011229 -0.00003134
0.01251217 -0.00471721 -0.00392585
-3.59979086 -0.71960688 -14.06363167
0.00019156 -0.00011145 0.00019790
0.01836960 -0.00231420 -0.03507076
15.05797782 -7.69033631 -8.86596659
0.00008005 -0.00039377 -0.00015486
0.00149921 0.00189053 -0.01179634
8.42303347 -6.77042352 9.04254863
0.00004484 0.00033803 0.00025812
-0.00486926 -0.02156144 0.02776114
-21.10333144 2.52630790 22.91893097
-0.00007115 0.00020812 0.00016785
-0.00087600 -0.00520567 -0.00729581
25.82287653 -3.02659405 -8.25903878
0.00027281 0.00003352 -0.00002468
0.00519673 -0.01213733 -0.00783523
9.94764514 -13.97511809 -8.69649477
-0.00003166 -0.00004082 -0.00033231
-0.00847182 0.00706997 0.00039984
-6.62376640 -12.14467486 17.00136969
0.00011730 0.00028877 0.00010349
-0.02323563 -0.02302227 -0.02761150
7.33938555 2.61967580 -29.31837894
-0.00028563 -0.00029677 0.00011523
-0.01709328 0.01360075 0.00537103
10.93216650 15.90226925 15.50351236
-0.00021514 0.00035493 0.00031783
-0.06714093 0.00591340 -0.00115818
28.88867254 6.47630265 -3.49951916
0.00013552 0.00019737 -0.00006420
-0.01057344 0.01056662 0.00644876
5.08740645 -32.24286964 -3.70676374
0.00000159 -0.00018553 -0.00059362
0.00489108 0.00165107 0.00360395
4.74641515 -31.94627900 -0.65419725
0.00025132 -0.00059666 0.00007069
0.00859894 0.00091782 0.00614755
-12.49067953 -3.00463242 -9.79951513
-0.00030372 0.00092955 -0.00050211
-0.00285766 -0.01184123 0.00669506
-11.95670479 -0.55213906 -11.06589224
0.00024085 -0.00006625 -0.00023132
-0.00246162 0.01366531 -0.01672033
-38.98558985 2.47777857 1.30143612
-0.00022786 0.00002305 -0.00039634
0.01014279 -0.00099686 -0.01458351
-37.73526561 3.92577494 -0.93200415
0.00017548 -0.00040780 0.00024387
-0.00888189 0.02634814 -0.01923925
-10.88086430 -5.52774358 3.33382914
-0.00053698 0.00067498 0.00124060
0.00493482 0.00067268 0.00509659
-10.61684463 -2.90591788 4.65951322
-0.00039032 -0.00024692 0.00042280
0.00930808 0.00964318 -0.00293602
4.00063820 -2.44181921 8.40828368
-0.00018260 -0.00077125 -0.00028401
0.00351058 0.03217464 -0.00694379
3.68320632 -4.40884578 10.41900318
0.00025023 -0.00043287 -0.00067588
0.00122585 0.00167556 -0.01412249
-34.81518067 -0.87942678 0.47359704
-0.00037172 0.00012552 0.00085511
0.01876278 -0.00011485 0.00371323
-33.59943646 1.52286428 -0.06628393
-0.00046916 -0.00097408 -0.00043423
0.00384586 -0.00301523 0.00424282
13.07044512 13.27044080 -14.83084579
-0.00061827 0.00055524 -0.00059147
0.03273275 -0.01817085 0.01755556
15.77829329 12.28371402 -14.31600632
0.00014924 -0.00036945 -0.00063122
0.06724774 -0.00453245 -0.03701682
-7.78492432 7.49459013 1.60080867
0.00021496 -0.00008147 -0.00034958
-0.00892883 0.01071925 0.00022257
-7.38634390 4.83016418 1.65867826
0.00002200 -0.00009838 0.00104343
0.01325968 -0.05356341 -0.03347433
6.20781767 12.27296891 -7.84218996
-0.00001971 -0.00017402 0.00023306
-0.00662197 0.00212872 -0.00077976
8.42679460 13.52329974 -6.28831958
-0.00084929 -0.00026087 -0.00061313
-0.00502356 -0.01253800 -0.00745120
8.97868731 8.09079272 -19.88188950
0.00036500 -0.00057308 0.00028233
0.00796189 -0.01783470 -0.00901011
10.51334656 10.51989731 -18.97697325
-0.00084541 0.00010227 -0.00003574
0.01375699 0.00195627 -0.00746592
24.30122503 15.84356277 -2.84912954
0.00000651 -0.00092275 -0.00009264
-0.01148581 -0.00361450 0.00251253
24.55383332 18.60841670 -2.87349360
0.00076238 -0.00029421 0.00078170
-0.00283218 0.00699433 0.00100764
1.60762052 16.80898239 -21.33435099
-0.00025573 0.00036383 -0.00059955
-0.01718430 0.00643942 -0.05175773
3.11099713 15.62569665 -19.42769982
-0.00053589 0.00020045 0.00050510
0.03153847 -0.03260452 0.01539439
13.56721121 -2.04180660 -7.19898301
0.00092503 -0.00022739 0.00006271
-0.00629352 0.00499821 0.01546383
12.62537465 -0.95474650 -4.61964418
-0.00032403 0.00034782 -0.00026653
-0.01555312 -0.00448955 0.00916299
-17.82130088 -2.26154727 3.50083043
0.00086443 -0.00055268 -0.00000422
-0.02253278 -0.00087530 -0.00511405
-15.19323805 -3.06618254 3.41398325
0.00003095 0.00020584 0.00117381
0.00865941 0.01808971 -0.00275169
-15.47835869 -0.62001478 19.05002382
0.00111206 -0.00082377 -0.00086480
-0.00857231 -0.02001850 -0.00200565
-14.65941190 -3.40504813 19.56954852
-0.00024159 -0.00056952 -0.00100667
0.00212493 -0.00625009 0.00152024
-0.47933736 0.58866151 -5.07388512
-0.00099911 0.00034794 0.00010893
0.01130675 0.00961994 0.00856972
-0.71230471 3.49663363 -5.04669130
-0.00042726 0.00043670 0.00026257
-0.01477133 0.01636948 0.00105036
23.80548226 -8.57812864 -9.08582437
-0.00056677 -0.00006085 0.00067606
0.01292308 -0.01074151 0.00388872
23.60943159 -5.65258226 -8.14758510
-0.00042036 0.00024406 -0.00023137
0.01838709 0.00316892 0.00098053
-0.63288560 -6.01630954 5.51742902
-0.00060389 0.00024753 -0.00034207
-0.01330450 -0.00776355 -0.00980928
0.80595529 -5.68271849 7.71377758
-0.00038492 0.00097623 -0.00043250
0.00480069 -0.00370511 0.01968592
-0.24996737 -2.45264056 -19.42190919
0.00046997 -0.00033290 0.00079233
-0.01342306 0.01514481 0.01117925
-2.67537693 -2.35203212 -20.65001308
0.00036573 0.00002577 -0.00051794
-0.02590260 -0.00612083 -0.02074888
2.83385709 2.84220325 -10.57290727
-0.00031716 -0.00110129 -0.00047169
-0.00661210 0.00226455 0.00916850
2.09017594 2.15212858 -7.63590239
0.00022294 0.00094885 0.00118799
-0.00189092 0.00257551 -0.00139685
-1.98783157 16.42375663 12.28879969
0.00008265 -0.00012429 -0.00036627
-0.02742088 0.03135952 0.00709587
-2.87593948 18.89321000 13.73891458
0.00059138 0.00076163 -0.00031814
0.00287081 0.00608280 0.01747744
-5.59189506 5.99864847 -11.98625889
-0.00095549 -0.00015861 -0.00166770
0.01905725 -0.00236142 0.02426632
-3.69207315 3.82771584 -12.51532090
0.00052513 0.00029386 -0.00038296
0.00250506 0.02950229 0.02903498
-8.21600219 1.32717685 -7.82940181
-0.00064374 0.00074245 0.00020354
0.00107695 -0.01921305 0.02303946
-5.96798535 2.92811486 -8.91514747
0.00054379 0.00014867 0.00048784
-0.04436389 -0.00323148 -0.00117848
2.59990531 27.14038217 7.43317765
-0.00087023 -0.00064802 0.00007279
0.00332025 -0.00863730 -0.03163022
1.43881368 29.01136750 9.08710361
0.00008750 -0.00022458 0.00038321
0.00273147 -0.01153013 0.00961325
10.39685379 -6.79119486 -0.23759366
-0.00028291 0.00018062 0.00052904
-0.01589689 0.00543650 -0.02276766
8.12565316 -7.70521007 -1.90916239
-0.00034791 -0.00024512 0.00098894
0.00903527 0.01405869 0.00246420
-7.36858546 -0.07816249 7.41811410
0.00033720 -0.00002940 0.00063166
0.00783730 0.00806166 -0.01521110
-10.12802830 0.37525202 7.28263020
0.00051442 -0.00044729 -0.00040642
-0.02043815 0.00116279 0.00154490
20.74094141 11.31974096 10.40281300
-0.00036579 0.00017895 0.00002161
0.00252825 -0.00065822 0.01329216
20.84127739 12.72890779 7.86202142
0.00139970 0.00058361 -0.00026109
-0.00097752 -0.01640314 0.01368647
-1.27531445 -3.87864624 -27.10603605
-0.00147492 0.00056024 -0.00071443
0.00083937 0.01416607 0.00733013
-3.30394738 -1.83445805 -26.54843708
-0.00053081 -0.00032603 0.00022627
-0.01928161 -0.00258497 0.01279009
-13.66021076 6.59866101 9.92661257
-0.00046843 -0.00089976 0.00061860
0.00655187 -0.00883540 0.00725584
-14.92320475 7.67105803 7.78579333
0.00056993 0.00055633 0.00081250
-0.00333622 -0.00021842 -0.00960291
-11.64493039 7.22394553 -1.95529328
-0.00050425 -0.00084008 -0.00065910
-0.00327825 -0.00054874 -0.00321206
-9.21631960 8.21725198 -3.28869974
-0.00097723 0.00040041 0.00057467
-0.00357494 -0.01140710 0.02112296
-0.99418403 -16.54283262 22.41892738
-0.00003176 -0.00094193 -0.00011040
0.00434657 -0.01020910 -0.00465098
-3.38361689 -15.53462665 23.79037406
0.00025770 -0.00035707 0.00020198
0.04537474 0.01937026 -0.02978899
-3.33184215 5.80459164 -7.71739686
-0.00112780 -0.00055198 0.00031350
0.00209676 0.00208975 -0.01358263
-4.28526542 6.68236387 -5.20189148
-0.00038414 0.00071229 0.00038940
-0.02158750 0.01213524 0.01341530
-21.81248820 29.71129272 2.83967048
-0.00059630 -0.00009117 -0.00038305
0.00485576 0.00637789 0.01987808
-21.31514147 31.14017477 5.52274932
-0.00014011 -0.00021339 -0.00060895
0.00319385 -0.02280631 -0.02425505
7.17060703 0.16363113 5.83969539
-0.00018548 0.00083436 -0.00073714
0.01436567 0.00013730 0.01898610
6.89691399 2.36862486 7.65287288
-0.00042864 0.00049204 -0.00094190
0.01210517 0.00443585 0.00804464
7.02462131 12.22552229 -12.84966211
0.00082033 -0.00059127 0.00019794
0.00641010 0.00783920 0.00095588
5.24610160 11.70064517 -14.90558611
0.00036676 -0.00117285 0.00052611
-0.02035633 0.02010593 -0.04509036
14.30959973 4.11386389 -1.97103482
0.00055013 0.00003518 -0.00008029
0.00590087 -0.00766770 -0.00066315
14.87688021 1.42519123 -1.02380328
0.00033203 0.00037200 0.00032321
-0.01678197 -0.03153092 0.00466524
-3.12159975 11.73504244 -0.21675619
-0.00062526 -0.00098966 0.00021464
-0.00237755 -0.00461141 0.00696380
-5.94388362 12.75890702 0.30965151
0.00024407 -0.00069287 -0.00063570
0.01309834 -0.00498698 0.00072889
3.31671105 11.40436086 2.33073929
0.00089557 -0.00026847 0.00037913
0.02966742 0.02123943 0.00943257
6.24343870 11.56858452 2.83110077
0.00101920 -0.00004872 -0.00044548
-0.00043276 0.00306877 -0.00208059
25.27589463 -12.99265421 -8.80743909
-0.00034134 -0.00024257 0.00011509
-0.01359502 0.02284224 0.00721994
25.76496896 -11.79785147 -11.34651409
-0.00056501 -0.00034178 -0.00061824
-0.00994307 0.02271530 0.02223286
15.88331976 -2.80195095 0.52336166
0.00031899 0.00000917 -0.00092378
0.00266358 0.00384165 -0.01011926
16.86969796 -5.10709410 -0.76135561
0.00047889 0.00109028 -0.00036443
0.00742733 -0.00501284 -0.00619806
12.49530602 8.09603764 11.70437813
0.00082790 0.00001950 0.00075478
0.01800856 -0.00433158 -0.02438937
14.17243320 9.15583960 9.40738382
0.00114690 -0.00046642 0.00023796
-0.00308924 0.02400629 0.00035594
0.18697873 -14.48824621 17.20042609
-0.00018799 0.00060361 -0.00001030
-0.00784247 -0.00142359 0.00001075
1.98403552 -12.76435778 18.81685164
-0.00042834 -0.00013484 -0.00056332
-0.00639677 0.01124861 0.00257104
-3.49861121 -1.37973291 -12.41133651
0.00049636 0.00040380 0.00068054
0.00110592 -0.01756169 0.02329983
-2.38977910 -1.78521242 -15.06408314
-0.00016542 0.00084372 0.00056422
-0.02804722 0.02073901 0.01484095
14.41234387 -8.11854157 -10.58070342
-0.00038808 -0.00044941 0.00073882
0.01650511 0.00318596 0.01575907
16.44765221 -6.39364695 -9.06910253
0.00099600 0.00038376 -0.00010317
-0.01075608 -0.00960938 -0.00341711
7.27585789 -5.39682613 8.87122670
0.00085055 0.00028588 0.00012911
-0.01607857 0.01070242 -0.00691787
9.79321138 -6.39579949 7.99371635
-0.00023648 0.00100683 -0.00047272
0.02138462 0.01035866 -0.02272486
-20.75728848 2.16862960 21.15259127
0.00074968 0.00022220 -0.00056554
0.00203257 0.00879010 -0.00703020
-22.26876350 1.13982578 23.24816675
0.00062186 0.00037693 -0.00077059
-0.00421494 0.00309280 0.01448583
27.15995192 -2.85129317 -7.03064971
0.00058419 -0.00038139 -0.00012821
0.00320327 -0.00298516 0.00813368
25.66967814 -1.34090543 -9.00346630
-0.00023900 0.00044656 -0.00012024
-0.00801297 0.00342736 0.00447393
9.90201730 -15.48149186 -7.71437199
-0.00023134 -0.00049142 0.00061060
0.00102280 -0.01310921 0.00440017
8.94678890 -12.76623167 -7.70192770
-0.00056804 0.00024737 -0.00127620
0.00507050 0.00396453 -0.00151815
-5.75270550 -11.29723964 18.28085444
0.00001604 0.00041135 -0.00013907
0.01927441 0.02505348 0.02755493
-6.71010228 -11.00259748 15.55630715
0.00011029 0.00043079 0.00026609
0.00031535 0.00111447 0.00515465
8.85436912 1.75387681 -29.63427410
0.00023633 -0.00008999 -0.00071061
0.02301868 -0.01714454 -0.00645223
6.02476540 1.78978094 -30.35154055
0.00028099 -0.00131893 -0.00027022
0.00341642 0.01223338 0.00747045
12.42829130 15.56534877 14.65562191
-0.00047284 0.00074045 -0.00061117
0.05164047 -0.01791670 -0.02963318
11.41113715 16.35770850 17.13679324
-0.00111160 0.00010316 -0.00045487
0.00310073 0.00735457 0.03464946
29.09287978 5.30833373 -4.89119292
0.00051343 -0.00028687 0.00016027
-0.00124840 -0.00878529 -0.00473040
27.15460929 7.17387394 -3.75261630
0.00006094 0.00042648 0.00043099
0.01586555 -0.01141363 -0.00057304
-9.94415996 5.18553398 6.37557200
0.00002552 0.00028784 -0.00012444
-0.00065497 -0.00194188 0.00735501
-8.91818038 13.37886338 2.63269380
-0.00013544 0.00000697 0.00006007
-0.00139088 0.00009174 0.00173607
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.09438962
0.31025973
413.40553084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.617 s
total exchange = -52.4339078788 (a.u.)
total exchange computation time: 2.5764939785 s
-154.3177461351
-931.40092705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.617 s
total exchange = -52.4327854470 (a.u.)
total exchange computation time: 2.5759971142 s
-154.3273600321
Anderson extrapolation: theta=1.3433558113 (1.3433558113)
-931.40116053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.615 s
total exchange = -52.4311319661 (a.u.)
total exchange computation time: 2.5767970085 s
-154.3413418670
Anderson extrapolation: theta=0.0524602844 (0.0524602844)
-931.40129999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.616 s
total exchange = -52.4309337569 (a.u.)
total exchange computation time: 2.5758619308 s
-154.3429353729
Anderson extrapolation: theta=1.9247128438 (1.9247128438)
-931.40130523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.616 s
total exchange = -52.4305208671 (a.u.)
total exchange computation time: 2.5745599270 s
-154.3461911573
Anderson extrapolation: theta=0.2254911095 (0.2254911095)
-931.40131049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.619 s
total exchange = -52.4304187993 (a.u.)
total exchange computation time: 2.5740451813 s
-154.3469362839
Anderson extrapolation: theta=1.8782433602 (1.8782433602)
-931.40131143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.616 s
total exchange = -52.4302526737 (a.u.)
total exchange computation time: 2.5752148628 s
-154.3480780356
Anderson extrapolation: theta=0.2882027605 (0.2882027605)
-931.40131245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.616 s
total exchange = -52.4302316438 (a.u.)
total exchange computation time: 2.5743939877 s
-154.3481514545
Anderson extrapolation: theta=1.3013658557 (1.3013658557)
-931.40131267
-208.210730 69.351401 97.382516
560.986924 1031.428436 -409.147358
352.776194 1100.779837 -311.764842
1197.232061
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.614 s
total exchange = -52.4302253510 (a.u.)
total exchange computation time: 2.5748870373 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1361817198
ExchangeOperator: bisection time: 1.619 s
total exchange = -52.4302253510 (a.u.)
total exchange computation time: 2.5751750469 s
[qbox] save md116.xml
SampleWriter: write time: 1.199 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1268.50 MB/s
[qbox] End of command stream
5196.53
2013-11-11T10:24:12Z