Input 03-xc.slater.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| OEP Slater Eigenvalue up | -1.128660000000000e+00 | -1.128664000000000e+00 | 4.400000000000000e-06 | 4.000000000115023e-06 | PASS |
| OEP Slater Eigenvalue dn | -6.834480000000001e-01 | -6.834740000000000e-01 | 2.860000000000000e-05 | 2.599999999997049e-05 | PASS |
| OEP Slater Exchange | -2.528940900000000e-01 | -2.528807350000000e-01 | 1.470000000000000e-05 | -1.335500000004819e-05 | PASS |
| OEP Slater Int[n*v_xc] | -5.057881800000000e-01 | -5.057614699999999e-01 | 2.940000000000000e-05 | -2.671000000009638e-05 | PASS |