Match Total energy
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_opt_autotools: [foss2023a-mpi] >
Input 04-lithium.01-ground_state.inp
Value | Reference | Precision | Status |
-4.178845850000000e+00 | -4.178845955000000e+00 | 8.500000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)