 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 15]](aw5082fig15mag.jpg)
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Figure 15
The EVCCP approach is based on an ideal relationship between conditional probability densities P(X, H|S) which are approximated as Gaussian and the actual probability of sampling any structure P(X, H). To help illustrate this idea a fictitious 1D plot of the probability distribution for P(X, H), which is difficult to estimate in practice, is projected down the H-axis located at H0. The red-shaded P(Xmin, H0|S) centered on Xmin demonstrates how the probability of obtaining Xmin will be highest when S = Xmin. The blue-shaded P(X, H0|S) is centered on S and has its width and height controlled by k. The blue distribution shows the actual probability for sampling of Xmin. |
![[Figure 15]](aw5082fig15.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
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