Input 04-ACBN0_isolated.02-H_packed.inp

Matches

Name	Value	Reference	Precision	Difference	Status
SCF convergence	1.000000000000000e+00	1.000000000000000e+00	7.020000000000000e-06	0.000000000000000e+00	PASS
Total energy	-4.738320900000000e-01	-4.738320900000000e-01	2.370000000000000e-07	0.000000000000000e+00	PASS
Eigenvalues sum	-5.557069600000000e-01	-5.557069600000000e-01	2.780000000000000e-07	0.000000000000000e+00	PASS
Hartree energy	3.090383600000000e-01	3.090383600000000e-01	1.550000000000000e-07	0.000000000000000e+00	PASS
Exchange energy	-2.646773100000000e-01	-2.646773100000000e-01	1.320000000000000e-07	0.000000000000000e+00	PASS
Correlation energy	-2.226625000000000e-02	-2.226625000000000e-02	1.110000000000000e-07	0.000000000000000e+00	PASS
Kinetic energy	4.781786000000000e-01	4.781786000000000e-01	2.390000000000000e-06	0.000000000000000e+00	PASS
External energy	-9.778595300000000e-01	-9.778595300000000e-01	4.890000000000000e-07	0.000000000000000e+00	PASS
Hubbard energy	3.754020000000000e-03	3.754020000000000e-03	3.750000000000000e-17	-4.336808689942018e-19	PASS
Eigenvalue [1up]	-5.557070000000000e-01	-5.557070000000000e-01	5.560000000000000e-15	0.000000000000000e+00	PASS
Occupation [1up]	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-01	0.000000000000000e+00	PASS
Eigenvalue [2up]	1.409100000000000e-01	1.409100000000000e-01	7.050000000000001e-05	0.000000000000000e+00	PASS
Occupation 1s up	9.876172500000000e-01	9.876172500000000e-01	4.940000000000000e-07	0.000000000000000e+00	PASS
U	6.139330000000000e-01	6.139330000000000e-01	3.070000000000000e-14	0.000000000000000e+00	PASS
Eigenvalue [1dn]	1.540520000000000e-01	1.540520000000000e-01	7.700000000000001e-06	0.000000000000000e+00	PASS
Eigenvalue [2dn]	1.936370000000000e-01	1.936370000000000e-01	9.680000000000000e-06	0.000000000000000e+00	PASS