Input 04-oep.03-jellium-full_exx.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
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-04 | 0.000000000000000e+00 | PASS |
| Total energy | -3.354830300000000e-01 | -3.354830800000000e-01 | 1.680000000000000e-07 | 4.999999997368221e-08 | PASS |
| Exchange | -1.027130980000000e+00 | -1.027130860000000e+00 | 1.320000000000000e-07 | -1.199999999368373e-07 | PASS |
| Eigenvalue 1 | -2.545870000000000e-01 | -2.545870000000000e-01 | 1.270000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 2 | -1.888670000000000e-01 | -1.888670000000000e-01 | 9.439999999999999e-06 | 0.000000000000000e+00 | PASS |