Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_min_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 | -1.150819630000000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372382999999978e-04 | PASS |
| RDMFT highest occupation number | 1.935739537085000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.970856599993077e-05 | PASS |