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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.300000000000000e-07 0.000000000000000e+00 PASS
Total Energy -2.842074580000000e+00 -2.842074580000000e+00 3.000000000000000e-14 4.440892098500626e-16 PASS
Eigenvalues energy -1.395292220000000e+00 -1.395292220000000e+00 7.000000000000000e-08 0.000000000000000e+00 PASS
Photon exchange -8.890665000000000e-02 -8.890665000000000e-02 4.500000000000000e-07 0.000000000000000e+00 PASS
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