Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
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 | -1.150740000500000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576087999999309e-04 | PASS |
| RDMFT highest occupation number | 1.935638170589000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.165792999996867e-05 | PASS |