Input 24-adsic_freeze_orbitals.01-gs.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-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 |