Input 03-xc.gga_x_pbea.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_pbea Eigenvalue up	-9.647470000000000e-01	-9.647865000000000e-01	4.340000000000000e-05	3.949999999997011e-05	PASS
gga_x_pbea Eigenvalue dn	-8.112549999999999e-01	-8.112925000000000e-01	4.130000000000000e-05	3.750000000002363e-05	PASS
gga_x_pbea Exchange	-3.120081300000000e-01	-3.120116200000000e-01	3.840000000000000e-06	3.489999999994886e-06	PASS
gga_x_pbea Int[n*v_xc]	-4.002185900000000e-01	-4.002229500000000e-01	4.800000000000000e-06	4.359999999981046e-06	PASS

Compare to other inputs