Input 04-lithium.01-ground_state.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Total energy -4.178845980000000e+00 -4.178845955000000e+00 8.500000000000000e-07 -2.500000029215244e-08 PASS
Eigenvalues -1.739077290000000e+00 -1.739077000000000e+00 8.700000000000000e-06 -2.900000000138903e-07 PASS
Hartree 2.706537720000000e+00 2.706538100000000e+00 1.140000000000000e-06 -3.799999999110071e-07 PASS
Int[n*v_xc] -1.309725200000000e+00 -1.309725510000000e+00 1.000000000000000e-06 3.100000001143854e-07 PASS
Exchange -1.002376810000000e+00 -1.002377180000000e+00 1.000000000000000e-06 3.700000001938264e-07 PASS
Correlation -4.057937000000000e-02 -4.057932000000000e-02 1.000000000000000e-06 -4.999999999449889e-08 PASS
Kinetic 5.869310200000000e-01 5.869315500000000e-01 1.120000000000000e-06 -5.299999999985872e-07 PASS
External -6.429358460000000e+00 -6.429358890000000e+00 1.610000000000000e-06 4.299999991630443e-07 PASS
Dipole -4.873580000000000e-08 0.000000000000000e+00 5.000000000000000e-06 -4.873580000000000e-08 PASS
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