Input 24-adsic_freeze_orbitals.01-gs.inp
Commits >
Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d >
Run GCI_foss_mpi_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -1.977413220000000e+00 | -1.977413220000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |