Input 16-dressed-rdmft.03-rdmft.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-03 | 0.000000000000000e+00 | PASS |
| dRDMFT converged energy | -8.889795506700000e-01 | -8.889465539750000e-01 | 8.700000000000000e-04 | -3.299669500000935e-05 | PASS |
| dRDMFT total mode occupation | 8.297708266700000e-02 | 8.322159703800000e-02 | 2.200000000000000e-03 | -2.445143709999958e-04 | PASS |
| dRDMFT highest occupation number | 1.924572260562000e+00 | 1.922992034259500e+00 | 1.400000000000000e-02 | 1.580226302499987e-03 | PASS |