Generated by bhs on 2012-10-19T14:47:15Z
Parameters from Bachelet, Hamann, Schlueter PRB26, 4199 (1982)
Ir Za=77 Zv=9 alpha_loc[]=2.67 1.07 c_loc[]=2.8089 -1.8089
lmax=3
l=0 alpha[]= 1.06 1.16 1.39
c[]= -8.9278 -0.7827 -0.0945 0.2077 -0.0766 0.0004
l=1 alpha[]= 0.84 1.12 1.23
c[]= -7.4725 -0.983 -0.6357 0.1348 0.0252 0.04
l=2 alpha[]= 3.26 4.26 5.63
c[]= -3.5581 0.2703 -0.0036 -0.0238 -0.0415 -0.0083
l=3 alpha[]= 1.07 1.22 1.41
c[]= -5.3733 -1.7325 0.0969 0.0796 -0.1406 -0.041
Ir
77
192.217
9
3
0
18
4.4
0.01
0.20714891
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