Generated by bhs on 2012-10-19T14:47:16Z
Parameters from Bachelet, Hamann, Schlueter PRB26, 4199 (1982)
Th Za=90 Zv=4 alpha_loc[]=1.59 0.4 c_loc[]=4.3902 -3.3902
lmax=3
l=0 alpha[]= 0.62 0.77 1.35
c[]= -9.0342 0.216 -0.4277 0.0541 0.079 0.0243
l=1 alpha[]= 0.44 0.48 0.55
c[]= -8.4035 -0.521 -0.8289 0.2778 -0.0169 0.0888
l=2 alpha[]= 0.71 0.78 1.39
c[]= -5.1907 -1.1444 -0.044 0.0631 0.0061 0.0126
l=3 alpha[]= 6.1 6.99 7.92
c[]= 0.9203 -2.4893 0.8255 -0.043 0.0225 0.1112
Th
90
232.038
4
3
0
26
6.4
0.01
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