Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss_cuda_mpi_omp_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 | -1.176116736400000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.468034000000507e-04 | PASS |
| RDMFT highest occupation number | 1.946718857973000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -8.785898100005518e-05 | PASS |