OPIUM generated Sr potential
zatom,zion,pspdat
0.00000 pspcod,pspxc,lmax,lloc,mmax,r2well
rchrg,fchrg,qchrg
5 --- reserved for future features
6 --- reserved for future features
7 --- Here follows the cpi file in the fhi98pp format -
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############################################################
Opium Parameter File
############################################################
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
# reference configuration
4 1.72 1.76 1.83 1.76
# number of valence configurations
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
# test configuration
[KBdesign]
# local orbital
# number of aug. operators
au 0.01 1.43
# unit(gp or au)
height(Ry)
############################################################