Match XSF natoms
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_foss-2022a_cuda_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)