Input 06-rdmft.02-gs_basis.inp
Commits >
Commit c2137da3c7eed40c7b1d2dc83d2ec8c4c87fbf0f >
Run foss_mpi_min_autotools: [foss2022a-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 | -1.150819633700000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372420000000819e-04 | PASS |
| RDMFT highest occupation number | 1.935739449031000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.962051200006144e-05 | PASS |