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

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_autotools: [foss2023a-serial]

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
Compare to other inputs