Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [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 | -1.150819628600000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372369000001040e-04 | PASS |
| RDMFT highest occupation number | 1.935739532480000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.970396099999384e-05 | PASS |