Input 06-restart.05-restart_gs.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.260000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue [up] | -1.400900000000000e-02 | -1.401600000000000e-02 | 7.700000000000001e-06 | 7.000000000000062e-06 | PASS |
| Eigenvalue [dn] | -8.529200000000001e-02 | -8.529200000000001e-02 | 4.260000000000000e-05 | 0.000000000000000e+00 | PASS |