Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run foss-serial-full: [foss2023b-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 | -1.176087143300000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172102999999925e-04 | PASS |
| RDMFT highest occupation number | 1.946763504387000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.321256700001719e-05 | PASS |