Input 21-qedft-breit-3d.01-pxlda-hydrogen.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total Energy | -4.404965900000000e-01 | -4.404965900000000e-01 | 2.300000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | -6.235058800000000e-01 | -6.235058800000000e-01 | 3.200000000000000e-08 | 0.000000000000000e+00 | PASS |
| Photon exchange | 4.482205000000000e-02 | 4.482205000000000e-02 | 2.300000000000000e-07 | 0.000000000000000e+00 | PASS |