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Figure 9
Critical point evaluation for all-EDs [S_{n,{\rm{val}}}^\circ] (rc.p.) (right panel) and all-ED Laplacians [{\nabla ^2}S_{n,{\rm{val}}}^\circ] (rc.p.) (left panel) obtained from val-ED and val-ED Laplacian [equations (19)[link], (20)[link]] Fourier synthesis using weighting functions (a) Lan1D(1.0, 2.0), (b) Fej_pcl (1.75) and (c) Fej_cnt(1.5). Dashed horizontal lines indicate values obtained from the reference DFT ED; data symbols in brackets `()' indicate values at position (½, ½, 0) of original b.c.p.(BB)exo, where an NNM is found (Table 3[link]).

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ISSN: 2053-2733
Volume 79| Part 3| May 2023| Pages 246-272
https://doi.org/10.1107/S2053273323002644
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