Input 14-quadrupole-pot.01-hydrogen-gs.inp

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run foss_cmake: [foss2023a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.000000000000000e-08 0.000000000000000e+00 PASS
Total energy -4.906136200000000e-01 -4.906136200000000e-01 2.450000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue 1 -4.906140000000000e-01 -4.906140000000000e-01 2.450000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 2 -3.936400000000000e-02 -3.936400000000000e-02 1.970000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 3 -3.936400000000000e-02 -3.936400000000000e-02 1.970000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 4 5.740000000000000e-04 5.740000000000000e-04 2.870000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue 5 3.974500000000000e-02 3.974500000000000e-02 1.990000000000000e-05 0.000000000000000e+00 PASS
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