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Figure 8
Dependence of the relative increase in standard deviations of BVSs within the reference data set when using the conventional parameter set with a fixed universal value of b = 0.37 Å instead of softBV parameters (diamonds) or softNC1 parameters (squares) on the average b value for BV parameters involving the respective anion type. Data are shown for halide and chalcogenide anions only. The dashed lines are polynomial fits as a guide to the eye. |
IUCrJ
ISSN: 2052-2525
MATERIALS | COMPUTATION
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