Input 34-jellium_slab.01-gs.inp

Commits > Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total k-points 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy 1.874471000000000e+00 1.874471000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ion-ion energy 9.652184900000000e-01 9.652184900000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalues sum -7.530750000000000e-02 -7.530750000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
Hartree energy -9.659364200000000e-01 -9.659364300000000e-01 1.000000000000000e-04 9.999999939225290e-09 PASS
Exchange energy -4.747554000000000e-02 -4.747554000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
Correlation energy -1.476684000000000e-02 -1.476684000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
Kinetic energy 5.993830000000000e-03 5.993830000000000e-03 1.000000000000000e-04 0.000000000000000e+00 PASS
External energy 1.931437360000000e+00 1.931437360000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
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