Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_mpi_debug_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 | -1.150819632100000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -2.372403999999495e-04 | PASS |
| RDMFT highest occupation number | 1.935739443147000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | 2.961462800010750e-05 | PASS |