Input 03-xc.gga_x_g96.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_mpi_opt

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_g96 Eigenvalue up	-9.721860000000000e-01	-9.721465000000000e-01	4.340000000000000e-05	-3.949999999997011e-05	PASS
gga_x_g96 Eigenvalue dn	-8.222070000000000e-01	-8.221695000000000e-01	4.130000000000000e-05	-3.750000000002363e-05	PASS
gga_x_g96 Exchange	-3.265529500000000e-01	-3.265492950000000e-01	4.020000000000000e-06	-3.654999999991304e-06	PASS
gga_x_g96 Int[n*v_xc]	-4.082908800000000e-01	-4.082864750000000e-01	4.850000000000000e-06	-4.404999999985115e-06	PASS

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