Input 20-qedft-breit-2d.02-pxlda-weak.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-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 | 2.998415790000000e+00 | 2.998415790000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | 2.998309220000000e+00 | 2.998309000000000e+00 | 1.000000000000000e-04 | 2.199999999952240e-07 | PASS |
| Photon exchange | -6.600000000000000e-06 | -6.600000000000000e-06 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |