Match XSF coord
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Run spack_foss-2023a_mpi_opt >
Input 05-lithium.01-gs.inp
| Value | Reference | Precision | Status |
| 3.316469000000000e+00 | 3.316469000000000e+00 | 1.660000000000000e-05 | PASS |
Command: GREPFIELD(static/density.xsf, 'PRIMCOORD', 2, 2)