Match XSF coord
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run intel_mpi_omp_autotools: [intel2022a-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)