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rmc-discord: reverse Monte Carlo refinement of diffuse scattering and correlated disorder from single crystals

A user-friendly program has been developed to analyze diffuse scattering from single crystals with the reverse Monte Carlo method. The approach allows for refinement of correlated disorder from atomistic supercells with magnetic or structural (occupational and/or displacive) disorder. The program is...

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Detalles Bibliográficos
Autores principales: Morgan, Zachary J., Zhou, Haidong D., Chakoumakos, Bryan C., Ye, Feng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8662963/
https://www.ncbi.nlm.nih.gov/pubmed/34963773
http://dx.doi.org/10.1107/S1600576721010141

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