Input 16-dressed-rdmft.02-hf.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss-serial-full: [foss2023a-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 | 6.668984820700000e-02 | 6.669029538700000e-02 | 1.100000000000000e-06 | -4.471800000016568e-07 | PASS |