Match XSF coord
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_intel-2023a_serial >
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)