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The FEFF code
Kas, J. J., Vila, F. D. and Rehr, J. J.  International Tables for Crystallography (2020). Early view chapter [ doi:10.1107/S1574870720003274 ]
... averaging using, for instance, structures sampled from molecular-dynamics simulations (Vila et al., 2008 ). 4. Software improvements in FEFF9 In ... Ankudinov, A. L., Ravel, B., Rehr, J. J. & Conradson, S. D. (1998). Phys. Rev. B, 58, 7565-7576.GoogleScholar Campbell, L. ... . J. Phys. Chem. Ref. Data, 24, 71-643.GoogleScholar Cromer, D. T. & Liberman, D. (1970). J. Chem. Phys. 53, ...

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