Input 26-Na.01-gs.inp

Commits > Commit d89ed1adec8f63937926022ba961c15ddb98b66b > Run foss-serial-full: [foss2023b-serial]

Matches

Name Value Reference Precision Difference Status
Total k-points 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Reduced k-points 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Space group 2.210000000000000e+02 2.210000000000000e+02 1.000000000000000e-04 0.000000000000000e+00 PASS
No. of symmetries 4.800000000000000e+01 4.800000000000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -2.419986600000000e-01 -2.419986600000000e-01 1.210000000000000e-07 0.000000000000000e+00 PASS
Ion-ion energy -1.750122200000000e-01 -1.750122200000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalues sum -1.033703600000000e-01 -1.033703600000000e-01 5.170000000000000e-08 0.000000000000000e+00 PASS
Hartree energy 5.776600000000000e-04 5.776600000000000e-04 2.890000000000000e-07 0.000000000000000e+00 PASS
Exchange energy -9.467187000000001e-02 -9.467187000000001e-02 4.730000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -2.884025000000000e-02 -2.886214000000000e-02 1.000000000000000e-04 2.189000000000010e-05 PASS
Kinetic energy 3.583232000000000e-02 3.583232000000000e-02 1.790000000000000e-07 0.000000000000000e+00 PASS
External energy 2.011570000000000e-02 2.011570000000000e-02 1.010000000000000e-06 0.000000000000000e+00 PASS
k-point 1 (x) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 1 (y) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 1 (z) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -1.303870000000000e-01 -1.303180000000000e-01 1.000000000000000e-04 -6.900000000001349e-05 PASS
k-point 2 (x) 3.333330000000000e-01 3.333330000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 2 (y) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 2 (z) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -9.565100000000000e-02 -9.558800000000001e-02 1.000000000000000e-04 -6.299999999999362e-05 PASS
k-point 3 (x) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 3 (y) 3.333330000000000e-01 3.333330000000000e-01 1.000000000000000e-04 0.000000000000000e+00 PASS
k-point 3 (z) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -9.565100000000000e-02 -9.558800000000001e-02 1.000000000000000e-04 -6.299999999999362e-05 PASS
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