phonopy/example/Cu-QHA/POSCAR-01

13 lines
479 B
Plaintext

Cu
1.0
3.5297595500000001 0.0000000000000000 0.0000000000000000
0.0000000000000000 3.5297595500000001 0.0000000000000000
0.0000000000000000 0.0000000000000000 3.5297595500000001
Cu
4
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000