Input 03-xc.gga_x_optx.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2022a_cuda_serial

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_optx Eigenvalue up	-9.753220000000000e-01	-9.753615000000000e-01	4.340000000000000e-05	3.949999999997011e-05	PASS
gga_x_optx Eigenvalue dn	-8.254250000000000e-01	-8.254625000000000e-01	4.130000000000000e-05	3.750000000002363e-05	PASS
gga_x_optx Exchange	-3.283216000000000e-01	-3.283253150000000e-01	4.080000000000000e-06	3.715000000015234e-06	PASS
gga_x_optx Int[n*v_xc]	-4.115129300000000e-01	-4.115172800000000e-01	4.760000000000000e-06	4.349999999986309e-06	PASS

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