Match Total energy
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 04-lithium.01-ground_state.inp
Value | Reference | Precision | Status |
-4.178869440000000e+00 | -4.178869200000000e+00 | 2.090000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)