Figure 5
Norm deviations for Fourier synthesis of val-ED Sn,val(r) for methods 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. |