mirror of
https://github.com/triqs/dft_tools
synced 2024-11-09 07:33:47 +01:00
18 lines
185 B
INI
18 lines
185 B
INI
|
[General]
|
||
|
|
||
|
[Group 1]
|
||
|
SHELLS = 1 2
|
||
|
|
||
|
[Shell 1]
|
||
|
LSHELL = 2
|
||
|
IONS = 5..8
|
||
|
|
||
|
[Shell 2]
|
||
|
LSHELL = 1
|
||
|
IONS = 1..4
|
||
|
|
||
|
RTRANSFORM = 0.0 1.0 0.0
|
||
|
1.0 0.0 0.0
|
||
|
0.0 0.0 1.0
|
||
|
|