Match Total energy
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Run cuda-mpi: [foss2022a-cuda-mpi] >
Input 04-lithium.01-ground_state.inp
Value | Reference | Precision | Status |
-4.178870030000000e+00 | -4.178869200000000e+00 | 2.090000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)