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	-4.741012300000000e-01	-4.741012300000000e-01	2.370000000000000e-07	0.000000000000000e+00	PASS
Eigenvalues sum	-5.561464900000000e-01	-5.561464900000000e-01	2.780000000000000e-07	0.000000000000000e+00	PASS
Hartree energy	3.080899600000000e-01	3.080899600000000e-01	1.540000000000000e-07	0.000000000000000e+00	PASS
Exchange energy	-2.638971600000000e-01	-2.638971600000000e-01	1.320000000000000e-07	0.000000000000000e+00	PASS
Correlation energy	-2.222867000000000e-02	-2.222867000000000e-02	1.110000000000000e-07	3.469446951953614e-18	PASS
Kinetic energy	4.754623100000000e-01	4.754623100000000e-01	2.380000000000000e-07	0.000000000000000e+00	PASS
External energy	-9.753923300000000e-01	-9.753923300000000e-01	4.880000000000000e-07	0.000000000000000e+00	PASS
Hubbard energy	3.864650000000000e-03	3.864650000000000e-03	1.930000000000000e-07	-4.336808689942018e-19	PASS
Eigenvalue [1up]	-5.561460000000000e-01	-5.561460000000000e-01	2.780000000000000e-05	0.000000000000000e+00	PASS
Occupation [1up]	1.000000000000000e+00	1.000000000000000e+00	1.000000000000000e-01	0.000000000000000e+00	PASS
Eigenvalue [2up]	1.024100000000000e-01	1.024100000000000e-01	5.120000000000000e-05	0.000000000000000e+00	PASS
Occupation 1s up	9.872353500000000e-01	9.872353500000000e-01	4.940000000000000e-07	0.000000000000000e+00	PASS
U	6.133530000000000e-01	6.133530000000000e-01	3.070000000000000e-05	0.000000000000000e+00	PASS
Eigenvalue [1dn]	1.046060000000000e-01	1.046020000000000e-01	5.230000000000000e-06	4.000000000004000e-06	PASS
Eigenvalue [2dn]	1.403660000000000e-01	1.403620000000000e-01	7.020000000000000e-06	4.000000000004000e-06	PASS