Match XSF natoms
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run spack_foss-2022a_mpi_min >
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)