Input 03-octopus_basics-total_energy_convergence.01-N_atom.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 5.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| Total Energy | -2.565682111000000e+02 | -2.565682111000000e+02 | 1.280000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -1.985626100000000e+01 | -1.985626100000000e+01 | 9.930000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -6.753304000000000e+00 | -6.753304000000000e+00 | 3.380000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | -6.753304000000000e+00 | -6.753304000000000e+00 | 3.380000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 4 | -6.753304000000000e+00 | -6.753304000000000e+00 | 3.380000000000000e-05 | 0.000000000000000e+00 | PASS |