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hiPhive

swMATH ID: 27879
Software Authors: Eriksson, Fredrik; Fransson, Erik; Erhart, Paul
Description: hiPhive — High-order force constants for the masses. hiPhive is a tool for efficiently extracting high-order force constants from atomistic simulations, most commonly density functional theory calculations. It has been implemented in the form of a Python library, which allows it to be readily integrated with many first-principles codes and analysis tools accessible in Python.
Homepage: https://hiphive.materialsmodeling.org/
Dependencies: Python
Keywords: Materials Science; arXiv_cond-mat.mtrl-sci; Computational Physics; arXiv_physics.comp-ph; Python
Related Software: Scikit; AAPL; almaBTE; ShengBTE; phono3py; dynasor; Spglib; Python
Cited in: 0 Documents

Standard Articles

1 Publication describing the Software Year
The hiphive package for the extraction of high-order force constants by machine learning arXiv
Fredrik Eriksson, Erik Fransson, Paul Erhart
2018