Input 02-fock-darwin.01-ground_state.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | 2.502000000000000e-01 | 2.502000000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | 4.904000000000000e-01 | 4.904000000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | 5.104000000000000e-01 | 5.104000000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 | 7.305990000000000e-01 | 7.305990000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 5 | 7.505990000000000e-01 | 7.505990000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 6 | 7.705990000000000e-01 | 7.705990000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 7 | 9.707980000000000e-01 | 9.707980000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 8 | 9.907970000000000e-01 | 9.907970000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 9 | 1.010796000000000e+00 | 1.010796000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 10 | 1.030798000000000e+00 | 1.030798000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |