Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cmake: [foss2022a-mpi, 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 | -1.150819633200000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372415000000405e-04 | PASS |
| RDMFT highest occupation number | 1.935739447946000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.961942699997167e-05 | PASS |