Input 02-fock-darwin.03-ground_state.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_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 |