Input 06-rdmft.03-gs_grid.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-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 | -1.176087137000000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172039999999154e-04 | PASS |
| RDMFT highest occupation number | 1.946763485912000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.323104199999150e-05 | PASS |