Input 02-qd_2e_2d.01-gs.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
SCF converged 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 9.243020000000000e-01 9.243020000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 2 1.033568000000000e+00 1.033568000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix 1 8.243000000000000e-02 8.243000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
Density matrix 2 5.428000000000000e-02 5.428000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
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