Input 06-rdmft.03-gs_grid.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 | -1.176116691300000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.467583000000939e-04 | PASS |
| RDMFT highest occupation number | 1.946718703392000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -8.801356200005550e-05 | PASS |