Input 03-xc.gga_x_lg93.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_lg93 Eigenvalue up	-9.713380000000000e-01	-9.713780000000001e-01	4.400000000000000e-05	4.000000000004000e-05	PASS
gga_x_lg93 Eigenvalue dn	-8.203190000000000e-01	-8.203575000000001e-01	4.230000000000000e-05	3.850000000005238e-05	PASS
gga_x_lg93 Exchange	-3.208373200000000e-01	-3.208410700000000e-01	4.140000000000000e-06	3.750000000024567e-06	PASS
gga_x_lg93 Int[n*v_xc]	-4.073044700000000e-01	-4.073090900000000e-01	5.080000000000000e-06	4.620000000010727e-06	PASS

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