plo.cfg
Download plo.cfg
.
[General]
# DOSMESH = -21 55 400
HK = True
COMPLEMENT = True
[Group 1]
SHELLS = 1 2
EWINDOW = -9 2
NORMION = False
NORMALIZE = True
BANDS = 2 9
[Shell 1] # Ni d shell
LSHELL = 2
IONS = 1
CORR = True
TRANSFORM = 1.0 0.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.0 0.0
0.0 0.0 0.0 1.0 0.0
0.0 0.0 0.0 0.0 1.0
[Shell 2] # O p shell
LSHELL = 1
IONS = 2
CORR = False
TRANSFORM = 1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0