Input 20-qedft-breit-2d.03-pxlda-strong.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy 3.002224680000000e+00 3.002224680000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalues energy 2.970300980000000e+00 2.970301000000000e+00 1.000000000000000e-04 -1.999999987845058e-08 PASS
Photon exchange 3.631830000000000e-03 3.631830000000000e-03 1.000000000000000e-04 0.000000000000000e+00 PASS
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