Input 03-xc.gga_x_mpbe.inp

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name	Value	Reference	Precision	Difference	Status
gga_x_mpbe Eigenvalue up	-9.694199999999999e-01	-9.694594999999999e-01	4.350000000000000e-05	3.949999999997011e-05	PASS
gga_x_mpbe Eigenvalue dn	-8.182170000000000e-01	-8.182545000000000e-01	4.130000000000000e-05	3.750000000002363e-05	PASS
gga_x_mpbe Exchange	-3.188809600000000e-01	-3.188845950000000e-01	4.000000000000000e-06	3.635000000001831e-06	PASS
gga_x_mpbe Int[n*v_xc]	-4.053494400000000e-01	-4.053538900000000e-01	4.890000000000000e-06	4.449999999989185e-06	PASS

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