mirror of
https://github.com/triqs/dft_tools
synced 2024-12-28 07:13:41 +01:00
bdb94c2402
Some options in the input file have been renamed. The description of the input file in the documentation has been modified accordingly.
20 lines
222 B
INI
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
|