Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
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 | -1.150819645400000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372536999999397e-04 | PASS |
| RDMFT highest occupation number | 1.935739546241000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.971772200011102e-05 | PASS |