Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_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 | -1.150819623100000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372314000000930e-04 | PASS |
| RDMFT highest occupation number | 1.935739499842000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.967132300013553e-05 | PASS |