Index

Figure 1 Ab initio powder pattern display ZnTe particle 6208 atoms (Fig. 3).
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Figure 2 ZnTe model particle.
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The high dynamic range of the powder pattern is shown in Fig. 3 (logarithm scale).
The cutoff slider allows to display the relevant powder pattern lines.

Figure 3 ZnTe powder pattern cutoff=0, logarithm scale.
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A one unit cell powder pattern is show in Fig. 4.

Figure 4 ZnTe one unit cell powder pattern.
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Using the tool button
a ring pattern is
calculated (Fig. 5). Its central part is shadowed by a beam stop sized by the cutoff. When
the cutoff size is zero, the pattern is displayed using a log scale when selected.

Figure 5 Ab initio calculated ZnTe ring pattern.
Figure 6 shows the powder pattern imported in the ring pattern indexing window.
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A Mathematica notebook is automatically created when the calculation of the powder pattern is completed.
The plot of powder pattern after evaluation of the notebook (with Mathematica) is easy to modify
and to adapt to special publihing requirements (Fig. 7).

Figure 7 Powder pattern plotted using Mathematica.