Input 06-rdmft.03-gs_grid.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
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 | -1.176116744200000e+00 | -1.175869933000000e+00 | 1.000000000000000e-03 | -2.468112000000300e-04 | PASS |
| RDMFT highest occupation number | 1.946718885223000e+00 | 1.946806716954000e+00 | 1.000000000000000e-03 | -8.783173100002095e-05 | PASS |