Match XSF coord
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Run spack_foss-2023a_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)