Match XSF natoms
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 05-lithium.01-gs.inp
Value | Reference | Precision | Status |
2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/density.xsf, 'PRIMCOORD', 1, 1)