Input 06-rdmft.02-gs_basis.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 | -1.150819645700000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372539999999645e-04 | PASS |
| RDMFT highest occupation number | 1.935739552925000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.972440600013115e-05 | PASS |