Files
ufo/test/raman-create-displacement/config.yaml
2024-12-04 15:21:09 +08:00

8 lines
244 B
YAML

Cell: Super
SelectedModes:
0: [ 0, 1, 2, 5, 6, 9, 10, 15, 16, 107, 115, 185, 251, 252, 281, 282, 287, 292, 293, 311, 312, 327, 378, 379 ]
MaxDisplacement: 0.02
OutputPoscarDirectory: POSCAR
InputDataFile: data.zpp
OutputDataFile: output.zpp