Input 02-fock-darwin.02-ground_state.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | 9.999000000000000e-01 | 9.999000000000000e-01 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 5 | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 9 | 2.999900000000000e+00 | 2.999900000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 13 | 3.999600000000000e+00 | 3.999600000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 17 | 4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |