Match XSF natoms
Commits >
Commit a41c007d955b10e3b7368ff6ffc60ddf6399c944 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 05-lithium.01-gs.inp
| Value | Reference | Precision | Status |
| 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/density.xsf, 'PRIMCOORD', 1, 1)