Input 06-rdmft.02-gs_basis.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_mpi_autotools: [intel2023a-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 | -1.150819610900000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372191999999718e-04 | PASS |
| RDMFT highest occupation number | 1.935739422664000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.959414499992263e-05 | PASS |