Input 03-xc.gga_x_lg93.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_lg93 Eigenvalue up	-9.714180000000000e-01	-9.713780000000001e-01	4.400000000000000e-05	-3.999999999992898e-05	PASS
gga_x_lg93 Eigenvalue dn	-8.203960000000000e-01	-8.203575000000001e-01	4.230000000000000e-05	-3.849999999994136e-05	PASS
gga_x_lg93 Exchange	-3.208448300000000e-01	-3.208410700000000e-01	4.140000000000000e-06	-3.760000000019303e-06	PASS
gga_x_lg93 Int[n*v_xc]	-4.073137100000000e-01	-4.073090900000000e-01	5.080000000000000e-06	-4.620000000010727e-06	PASS

Compare to other inputs