Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_mpi_debug_autotools: [foss2023a-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 | -1.176087123800000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.171907999999334e-04 | PASS |
| RDMFT highest occupation number | 1.946763434453000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.328250099994158e-05 | PASS |