Input 04-lithium.01-ground_state.inp

Commits > Commit b7dcc99023940be2b83de00317ffa33e598f3f55 > Run foss_opt_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Total energy -4.178869710000000e+00 -4.178869520000000e+00 3.740000000000000e-07 -1.899999997334589e-07 PASS
Eigenvalues -1.739099820000000e+00 -1.739099660000000e+00 2.150000000000000e-07 -1.600000001378277e-07 PASS
Hartree 2.706537470000000e+00 2.706538100000000e+00 1.140000000000000e-06 -6.300000001679962e-07 PASS
Int[n*v_xc] -1.309727120000000e+00 -1.309727120000000e+00 7.150000000000000e-08 -2.220446049250313e-16 PASS
Exchange -1.002380310000000e+00 -1.002380280000000e+00 1.040000000000000e-07 -2.999999981767587e-08 PASS
Correlation -4.057923000000000e-02 -4.057932000000000e-02 1.000000000000000e-06 9.000000000120023e-08 PASS
Kinetic 5.869462500000000e-01 5.869460700000000e-01 3.190000000000000e-07 1.800000000162782e-07 PASS
External -6.429394050000000e+00 -6.429393800000000e+00 4.560000000000000e-07 -2.500000002569891e-07 PASS
Dipole 2.648430000000000e-07 0.000000000000000e+00 5.000000000000000e-06 2.648430000000000e-07 PASS
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