Input 19-qedft-breit-1d.02-pxlda.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total Energy | 1.160882140000000e+00 | 1.160882140000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | 4.080342000000000e-01 | 4.080340000000000e-01 | 1.000000000000000e-04 | 2.000000000057511e-07 | PASS |
| Photon exchange | 6.597101500000000e-01 | 6.597101500000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |