Match XSF coord
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
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)