Input 03-xc.b3lyp_fock.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run cmake_foss_2022a_full_mpi

Matches

Name	Value	Reference	Precision	Difference	Status
B3LYP Fock Eigenvalue up	-1.019204000000000e+00	-1.019171000000000e+00	3.630000000000000e-05	-3.299999999994974e-05	PASS
B3LYP Fock Eigenvalue dn	-8.379600000000000e-01	-8.379245000000000e-01	3.910000000000000e-05	-3.550000000007714e-05	PASS
B3LYP Fock Correlation	-2.734433100000000e-01	-2.734403300000000e-01	3.280000000000000e-06	-2.979999999985772e-06	PASS
B3LYP Fock Int[n*v_xc]	-3.479085000000000e-01	-3.479046950000000e-01	4.190000000000000e-06	-3.805000000023373e-06	PASS
B3LYP Fock Total	-5.764171800000000e-01	-5.764007400000000e-01	1.810000000000000e-05	-1.644000000000645e-05	PASS

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