Input 19-qedft-breit-1d.02-pxlda.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_min_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 | 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 |