phonopy/example/diamond-dftb/geo.gen

15 lines
801 B
Plaintext

8 F
C
1 1 0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
2 1 0.2500000000E+00 0.2500000000E+00 0.2500000000E+00
3 1 0.5000000000E+00 0.5000000000E+00 0.0000000000E+00
4 1 0.7500000000E+00 0.7500000000E+00 0.2500000000E+00
5 1 0.5000000000E+00 0.0000000000E+00 0.5000000000E+00
6 1 0.7500000000E+00 0.2500000000E+00 0.7500000000E+00
7 1 0.0000000000E+00 0.5000000000E+00 0.5000000000E+00
8 1 0.2500000000E+00 0.7500000000E+00 0.7500000000E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.3561772125E+01 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 0.3561772125E+01 0.0000000000E+00
0.0000000000E+00 0.0000000000E+00 0.3561772125E+01