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Figure 2
Raw Fourier synthesis [equation (3)[link]] of the ED distribution for CaB6 at [sin(θ)/λ]max = 1.5 Å−1 shown in the (200) and (110) planes. (a) Synthesized all-ED Sn,tot(r) with spurious NNMs and large regions with negative values (red isolines). (b) All-ED [S_{n,{\rm val}}^\circ ({\bf{r}} )] from val-ED synthesis Sn,val(r) [equation (19)[link]] with spurious NNMs, the most prominent ones shown by red arrows; black isoline steps of 0.0078 e bohr−3.

ISSN: 2053-2733
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