Input 03-xc.gga_x_pbe.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_pbe Eigenvalue up	-9.680020000000000e-01	-9.680415000000000e-01	4.340000000000000e-05	3.949999999997011e-05	PASS
gga_x_pbe Eigenvalue dn	-8.160690000000000e-01	-8.161070000000000e-01	4.180000000000000e-05	3.799999999998249e-05	PASS
gga_x_pbe Exchange	-3.167935800000000e-01	-3.167971900000000e-01	3.950000000000000e-06	3.609999999987235e-06	PASS
gga_x_pbe Int[n*v_xc]	-4.037854200000000e-01	-4.037898600000000e-01	4.860000000000000e-06	4.439999999994448e-06	PASS

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