Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-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 | -1.150739995100000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576033999999282e-04 | PASS |
| RDMFT highest occupation number | 1.935638248234000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.158028499998359e-05 | PASS |