3
0
mirror of https://github.com/triqs/dft_tools synced 2024-11-14 18:13:49 +01:00
dft_tools/doc/vasp/source/adv_example.cfg

20 lines
222 B
INI
Raw Normal View History

2015-02-13 21:58:42 +01:00
[General]
EFERMI = -0.6
[Group 1]
SHELLS = 1 2
EWINDOW = -7.6 2.7
2015-02-13 21:58:42 +01:00
[Shell 1]
# Ni shell
IONS = 5 6 7 8
LSHELL = 2
TRANSFORM =
2015-02-13 21:58:42 +01:00
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