Match XSF coord
Commits >
Commit 119356330ffc33ec037b7259f31bc868121af1f1 >
Run spack_intel-2022a_impi_omp >
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)