Input 06-rdmft.02-gs_basis.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | -1.150740013300000e+00 | -1.150582391700000e+00 | 1.000000000000000e-03 | -1.576216000001018e-04 | PASS |
| RDMFT highest occupation number | 1.935638283779000e+00 | 1.935709828519000e+00 | 1.000000000000000e-03 | -7.154473999992916e-05 | PASS |