Match XSF coord
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run foss-2022a_mpi_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)