conquest/pseudo-and-pao/GTH_PBE/Si_q4/Si.hgh

11 lines
202 B
Plaintext

1 4
Si 4.00 0.440000 -6.269288 0.000000 0.000000 0.000000
2
0.435634 8.951742 -2.706271
3.493781
1
0.497942 2.431277
2
3 0 2.0 0
3 1 2.0 0