Input 06-rdmft.03-gs_grid.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
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 | -1.176087144300000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.172113000000753e-04 | PASS |
| RDMFT highest occupation number | 1.946763513621000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -4.320333300000812e-05 | PASS |