Input 05-polarizability.01-gs.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -1.140216216000000e+01 -1.140216141000000e+01 8.250000000000000e-07 -7.499999998827889e-07 PASS
Free energy -1.132495931000000e+01 -1.132495851000000e+01 8.850000000000000e-07 -8.000000004670937e-07 PASS
Eigenvalue -3.178126000000000e+00 -3.178126000000000e+00 1.590000000000000e-05 0.000000000000000e+00 PASS
Occupation 2.032756000000000e+00 2.032756000000000e+00 1.020000000000000e-05 0.000000000000000e+00 PASS
Eigenvalue -1.837042000000000e+00 -1.837042000000000e+00 9.190000000000000e-06 0.000000000000000e+00 PASS
Occupation -3.273900000000000e-02 -3.273900000000000e-02 1.640000000000000e-16 6.938893903907228e-18 PASS
Fermi energy -2.712718000000000e+00 -2.712718000000000e+00 1.360000000000000e-05 0.000000000000000e+00 PASS
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