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

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_foss-2022a_mpi_min

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
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