Input 21-qedft-breit-3d.02-pxlda-helium.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss_cmake: [foss2023a-mpi, foss-full-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
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