Match XSF coord
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run spack_intel-2023a_impi >
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)