Input 04-oep.02-jellium-exx_kli.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 | -3.354290300000000e-01 | -3.354000000000000e-01 | 1.000000000000000e-04 | -2.903000000004097e-05 | PASS |
| Exchange | -1.026910140000000e+00 | -1.026900000000000e+00 | 1.000000000000000e-04 | -1.014000000010284e-05 | PASS |
| Eigenvalue 1 | -2.548310000000000e-01 | -2.548500000000000e-01 | 1.000000000000000e-04 | 1.900000000004676e-05 | PASS |
| Eigenvalue 2 | -1.889650000000000e-01 | -1.889500000000000e-01 | 1.000000000000000e-04 | -1.499999999998725e-05 | PASS |