Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-serial-debug: [foss2023a-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 |