Input 21-qedft-breit-3d.02-pxlda-helium.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 2.300000000000000e-07 | 0.000000000000000e+00 | PASS |
| Total Energy | -2.842310980000000e+00 | -2.842310980000000e+00 | 1.420000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | -1.395389920000000e+00 | -1.395389920000000e+00 | 6.980000000000000e-08 | 0.000000000000000e+00 | PASS |
| Photon exchange | -8.896218000000000e-02 | -8.896218000000000e-02 | 4.450000000000000e-07 | 0.000000000000000e+00 | PASS |