Input 06-rdmft.03-gs_grid.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
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 |
| RDMFT converged energy | -1.176087143800000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172108000000339e-04 | PASS |
| RDMFT highest occupation number | 1.946763504345000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321260899997625e-05 | PASS |