Input 03-He-Hartree-Fock.01-gs.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss-mpi-full: [foss2023a-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 -2.947939590000000e+00 -2.947939590000000e+00 1.470000000000000e-07 0.000000000000000e+00 PASS
Exchange energy -7.237351800000000e-01 -7.237347200000001e-01 4.000000000000000e-05 -4.599999999799209e-07 PASS
Eigenvalue 1 -7.502350000000000e-01 -7.502350000000000e-01 3.000000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 5 5.827590000000000e-01 5.827590000000000e-01 2.910000000000000e-05 0.000000000000000e+00 PASS
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