[General] EFERMI = -0.6 [Group 1] SHELLS = 1 2 EMIN = -7.6 EMAX = 2.7 [Shell 1] # Ni shell IONS = 5 6 7 8 LSHELL = 2 RTRANSFORM = 0.0 0.0 0.0 0.0 1.0 0.0 0.0 1.0 0.0 0.0 [Shell 2] # Oxygen shell IONS = 9..20 LSHELL = 1