Input 20-qedft-breit-2d.02-pxlda-weak.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy 2.998415790000000e+00 2.998415790000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalues energy 2.998309220000000e+00 2.998309000000000e+00 1.000000000000000e-04 2.199999999952240e-07 PASS
Photon exchange -6.600000000000000e-06 -6.600000000000000e-06 1.000000000000000e-04 0.000000000000000e+00 PASS
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