phonopy/example/Cu-QHA/POSCAR-03

13 lines
479 B
Plaintext

Cu
1.0
3.5771445300000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 3.5771445300000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 3.5771445300000000
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