Input 04-oep.02-jellium-exx_kli.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_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 | -3.354281700000000e-01 | -3.354000000000000e-01 | 1.000000000000000e-04 | -2.817000000004954e-05 | PASS |
| Exchange | -1.026910080000000e+00 | -1.026900000000000e+00 | 1.000000000000000e-04 | -1.008000000002340e-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 |