Input 03-xc.gga_x_optx.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_mpi

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_optx Eigenvalue up	-9.754010000000000e-01	-9.753615000000000e-01	4.340000000000000e-05	-3.949999999997011e-05	PASS
gga_x_optx Eigenvalue dn	-8.255000000000000e-01	-8.254625000000000e-01	4.130000000000000e-05	-3.750000000002363e-05	PASS
gga_x_optx Exchange	-3.283290200000000e-01	-3.283253150000000e-01	4.080000000000000e-06	-3.705000000020497e-06	PASS
gga_x_optx Int[n*v_xc]	-4.115216200000000e-01	-4.115172800000000e-01	4.760000000000000e-06	-4.339999999991573e-06	PASS

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