Input 16-dressed-rdmft.02-hf.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-serial-debug: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-03 | 0.000000000000000e+00 | PASS |
| dHF converged energy | -7.805470438100000e-01 | -7.805470438150000e-01 | 1.000000000000000e-08 | 5.000000413701855e-12 | PASS |
| dHF highest occupation number | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| dHF total mode occupation | 6.668941993499999e-02 | 6.669029538700000e-02 | 1.100000000000000e-06 | -8.754520000042731e-07 | PASS |