Input 31-magnon_1d.01-gs.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total energy -5.262582840000000e+00 -5.262582840000000e+00 6.200000000000000e-08 0.000000000000000e+00 PASS
Ion-ion energy 0.000000000000000e+00 0.000000000000000e+00 3.920000000000000e-07 0.000000000000000e+00 PASS
Eigenvalues sum -5.365939480000000e+00 -5.365939480000000e+00 8.720000000000000e-08 0.000000000000000e+00 PASS
Hartree energy 1.112430000000000e-03 1.112430000000000e-03 1.430000000000000e-07 0.000000000000000e+00 PASS
Exchange energy -3.608242600000000e-01 -3.608242600000000e-01 7.820000000000000e-08 0.000000000000000e+00 PASS
Correlation energy -6.242330000000000e-03 -6.242330000000000e-03 6.710000000000000e-08 0.000000000000000e+00 PASS
Kinetic energy 1.903809500000000e-01 1.903809500000000e-01 1.650000000000000e-08 0.000000000000000e+00 PASS
External energy -5.087009610000000e+00 -5.087009610000000e+00 5.430000000000000e-07 0.000000000000000e+00 PASS
k-point 2 (x) 1.000000000000000e-02 1.000000000000000e-02 1.000000000000000e-04 0.000000000000000e+00 PASS
Eigenvalue 1 -5.542966000000000e+00 -5.542966000000000e+00 1.630000000000000e-05 0.000000000000000e+00 PASS
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