Match Total energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 04-lithium.01-ground_state.inp
Value | Reference | Precision | Status |
-4.178869710000000e+00 | -4.178869520000000e+00 | 3.740000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)