Input 32-photodoping.01-gs.inp

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -3.210396568000000e+02 -3.210396568000000e+02 5.740000000000000e-08 0.000000000000000e+00 PASS
Ion-ion energy -2.921289898800000e+02 -2.921289898800000e+02 5.370000000000000e-08 0.000000000000000e+00 PASS
Eigenvalues sum -1.431584714000000e+01 -1.431584714000000e+01 4.130000000000000e-07 0.000000000000000e+00 PASS
Hartree energy 2.648505053000000e+01 2.648505053000000e+01 5.000000000000000e+00 0.000000000000000e+00 PASS
Exchange energy -1.071861683200000e+02 -1.071861683200000e+02 1.550000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -1.083242810000000e+01 -1.083242810000000e+01 2.230000000000000e-07 0.000000000000000e+00 PASS
Kinetic energy 2.324540827800000e+02 2.324540827800000e+02 4.310000000000000e-07 0.000000000000000e+00 PASS
External energy -1.698310734600000e+02 -1.698310734700000e+02 3.410000000000000e-07 1.000000793283107e-08 PASS
Electron Fermi energy 6.971835000000000e+00 6.971835000000000e+00 3.410000000000000e-07 0.000000000000000e+00 PASS
Hole Fermi energy 1.129848500000000e+01 1.129848500000000e+01 3.410000000000000e-07 0.000000000000000e+00 PASS
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