Input 08-loewdin.02-intersite.inp

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Run foss_debug_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 0.000000000000000e+00 0.000000000000000e+00 7.930000000000000e-06 0.000000000000000e+00 PASS
Total energy -7.880781360000000e+00 -7.880781360000000e+00 3.940000000000000e-07 0.000000000000000e+00 PASS
Ion-ion energy -7.857800700000000e+00 -7.857800700000000e+00 3.930000000000000e-06 0.000000000000000e+00 PASS
Eigenvalues sum -1.439442900000000e-01 -1.439442900000000e-01 7.200000000000000e-08 0.000000000000000e+00 PASS
Hartree energy 5.742183100000000e-01 5.742183100000000e-01 2.870000000000000e-07 0.000000000000000e+00 PASS
Exchange energy -2.044056430000000e+00 -2.044056430000000e+00 1.020000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -3.757258200000000e-01 -3.757258200000000e-01 1.880000000000000e-07 0.000000000000000e+00 PASS
External energy -1.314592580000000e+00 -1.314592580000000e+00 6.570000000000000e-08 0.000000000000000e+00 PASS
Hubbard energy -1.265153900000000e-01 -1.265153900000000e-01 6.330000000000000e-08 0.000000000000000e+00 PASS
Kinetic energy 3.147532230000000e+00 3.147532230000000e+00 1.570000000000000e-07 -4.440892098500626e-16 PASS
U 3p Si1 8.893000000000000e-02 8.893000000000001e-02 4.450000000000000e-04 -1.387778780781446e-17 PASS
U 3p Si2 8.893000000000000e-02 8.893000000000001e-02 4.450000000000000e-04 -1.387778780781446e-17 PASS
V 3p-3p 5.617900000000000e-02 5.618000000000000e-02 2.810000000000000e-04 -1.000000000001000e-06 PASS
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