Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
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 | 1.946763511192000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.320576199989823e-05 | PASS |