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

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_intel-2023a_serial_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 -2.191554590000000e+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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