Match Total energy
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss-mpi-min: [foss2022a-mpi] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
2.021960190000000e+00 | 2.021960160000000e+00 | 1.010000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)