phono3py

phono3py: A simulation package of phonon-phonon interaction related properties. This software calculates phonon-phonon interaction and related properties using the supercell approach. For example, the following physical properties are obtained: Lattice thermal conductivity (RTA and direct solution of LBTE); Phonon lifetime/linewidth; Imaginary part of self energy; Joint density of states (JDOS) and weighted-JDOS

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References in zbMATH (referenced in 1 article )

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  1. Fredrik Eriksson, Erik Fransson, Paul Erhart: The hiphive package for the extraction of high-order force constants by machine learning (2018) arXiv