Input 01-quadratic_box.04-spin_polarized.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
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 |
| Total energy | 7.759250060000000e+00 | 7.759258320000000e+00 | 2.000000000000000e-05 | -8.259999999538081e-06 | PASS |