Input 04-lithium.01-ground_state.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Total energy -4.178845860000000e+00 -4.178845955000000e+00 8.500000000000000e-07 9.499999986672947e-08 PASS
Eigenvalues -1.739077100000000e+00 -1.739077000000000e+00 8.700000000000000e-06 -1.000000000583867e-07 PASS
Hartree 2.706537760000000e+00 2.706538100000000e+00 1.140000000000000e-06 -3.400000001541059e-07 PASS
Int[n*v_xc] -1.309725170000000e+00 -1.309725510000000e+00 1.000000000000000e-06 3.399999999320613e-07 PASS
Exchange -1.002376820000000e+00 -1.002377180000000e+00 1.000000000000000e-06 3.600000000325565e-07 PASS
Correlation -4.057935000000000e-02 -4.057932000000000e-02 1.000000000000000e-06 -2.999999999808711e-08 PASS
Kinetic 5.869309900000000e-01 5.869315500000000e-01 1.120000000000000e-06 -5.599999999272853e-07 PASS
External -6.429358490000000e+00 -6.429358890000000e+00 1.610000000000000e-06 3.999999993453685e-07 PASS
Dipole -1.466410000000000e-06 0.000000000000000e+00 5.000000000000000e-06 -1.466410000000000e-06 PASS
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