Input 01-quadratic_box.04-spin_polarized.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-05 | 0.000000000000000e+00 | PASS |
| Total energy | 7.759250060000000e+00 | 7.759258320000000e+00 | 2.000000000000000e-05 | -8.259999999538081e-06 | PASS |