Input 16-dressed-rdmft.02-hf.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_autotools: [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 | 6.668950605399999e-02 | 6.669029538700000e-02 | 1.100000000000000e-06 | -7.893330000036114e-07 | PASS |