Input 03-xc.gga_x_g96.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run cuda-serial: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_g96 Eigenvalue up	-9.567110000000000e-01	-9.721465000000000e-01	4.340000000000000e-05	1.543550000000005e-02	FAIL
gga_x_g96 Eigenvalue dn	-4.864720000000000e-01	-8.221695000000000e-01	4.130000000000000e-05	3.356975000000000e-01	FAIL
gga_x_g96 Exchange	0.000000000000000e+00	-3.265492950000000e-01	4.020000000000000e-06	3.265492950000000e-01	FAIL
gga_x_g96 Int[n*v_xc]	0.000000000000000e+00	-4.082864750000000e-01	4.850000000000000e-06	4.082864750000000e-01	FAIL

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