Input 20-qedft-breit-2d.01-etac-px.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_mpi_debug_autotools: [foss2023a-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 | 2.998474440000000e+00 | 2.998474443000000e+00 | 1.000000000000000e-04 | -3.000000248221113e-09 | PASS |
| Eigenvalues energy | 2.998400510000000e+00 | 2.998401000000000e+00 | 1.000000000000000e-04 | -4.899999996865745e-07 | PASS |
| Photon exchange | 5.206000000000000e-05 | 5.206000000000000e-05 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |