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Figure 6
Norm deviations for Fourier synthesis of val-ED Laplacian [{\nabla ^2}]Sn,val(r) for methods(p) Lan1D(1.0), Lan3D(1.0), Fej_pcl(1.75), Fej_cnt(1.5), Fej_stl(1.0) and Pep3D(2.0) [for colour coding, see legend in top-left figure (a)] and different resolutions [sin(θ)/λ]max. (a), (b), (c) Norm deviations δLn1, δLn2 and Δmax, respectively; left panels, complete unit-cell region ru.c.; right panels, valence region rval.

ISSN: 2053-2733
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