Input 21-qedft-breit-3d.01-pxlda-hydrogen.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run 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 -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
Compare to other inputs