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Published November 2, 2015 | Version v1.1
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xtl-converter: Updated element lookup table

  • 1. Pacific Northwest National Lab

Description

This release includes a larger element lookup table for Debye-Waller factors. These are very general values measured at 300 K so be sure to use numbers specific to your system for the most accurate results!

The values are taken from the text, "Debye Waller Factors and Absorptive Scattering Factors of Elemental Crystals" by L.M. Peng et al. in Acta Crystallographica Section A: Foundations of Crystallography (ISSN: 0108-7673).

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xtl-converter-v1.1.zip

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