Input 01-quadratic_box.02-hartree.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 5.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue | 3.768929000000000e+00 | 3.768933000000000e+00 | 2.000000000000000e-05 | -4.000000000115023e-06 | PASS |
| Occupation | 2.000000000000000e+00 | 2.000000000000000e+00 | 2.000000000000000e-05 | 0.000000000000000e+00 | PASS |