Input 02-fock-darwin.03-ground_state.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_omp_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 | 8.691680000000001e-01 | 8.691680000000001e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | 2.116862000000000e+00 | 2.116862000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 5 | 3.101960000000000e+00 | 3.101960000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 7 | 3.476506000000000e+00 | 3.476506000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |