Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_mpi_opt_autotools: [foss2023a-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 | -1.150819626000000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372343000001109e-04 | PASS |
| RDMFT highest occupation number | 1.935739514889000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.968637000000385e-05 | PASS |