Input 19-qedft-breit-1d.02-pxlda.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy 1.160882140000000e+00 1.160882140000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalues energy 4.080342000000000e-01 4.080340000000000e-01 1.000000000000000e-04 2.000000000057511e-07 PASS
Photon exchange 6.597101500000000e-01 6.597101500000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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