Match XSF coord
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-opt-full: [foss2023a-serial] >
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)