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

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.000000000000000e-08 0.000000000000000e+00 PASS
Total energy -4.897494800000000e-01 -4.897494800000000e-01 5.000000000000000e-07 0.000000000000000e+00 PASS
Eigenvalue 1 -4.897490000000000e-01 -4.897490000000000e-01 1.000000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 2 -3.753600000000000e-02 -3.753600000000000e-02 1.000000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 3 -3.753600000000000e-02 -3.753600000000000e-02 1.000000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 4 1.936000000000000e-03 1.936000000000000e-03 1.000000000000000e-06 0.000000000000000e+00 PASS
Eigenvalue 5 4.379600000000000e-02 4.379600000000000e-02 1.000000000000000e-06 0.000000000000000e+00 PASS
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