Input 08-sternheimer-photons.01-gs.inp

Commits > Commit 7368b0b20aad13e0ecfc3e36ba5b1a9f5c3d54b1 > Run spack_foss-2023a_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 -2.191554590000000e+00 -2.191554890000000e+00 1.000000000000000e-04 2.999999999531155e-07 PASS
HOMO -4.593750000000000e-01 -4.593750000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
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