Match XSF coord
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
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)