phonopy/example/Si-QHA/disp.yaml

8 lines
211 B
YAML

natom: 64
displacements:
- atom: 1
direction:
[ 1.0000000000000000, 0.0000000000000000, 0.0000000000000000 ]
displacement:
[ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ]