Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_omp_autotools: [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 | -1.176087146200000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172132000000104e-04 | PASS |
| RDMFT highest occupation number | 1.946763516044000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.320090999998527e-05 | PASS |