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dft_tools/doc/vasp/source/adv_example.cfg
Oleg E. Peil bdb94c2402 Modified documentation following the recent changes
Some options in the input file have been renamed. The description
of the input file in the documentation has been modified accordingly.
2015-11-19 17:45:31 +01:00

20 lines
222 B
INI

[General]
EFERMI = -0.6
[Group 1]
SHELLS = 1 2
EWINDOW = -7.6 2.7
[Shell 1]
# Ni shell
IONS = 5 6 7 8
LSHELL = 2
TRANSFORM =
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