Match XSF natoms
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2023a_serial >
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)