Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run intel_mpi_omp_autotools: [intel2022a-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 | -1.176087139300000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172063000001057e-04 | PASS |
| RDMFT highest occupation number | 1.946763488937000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.322801699996326e-05 | PASS |