hiPhive

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.

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References in zbMATH (referenced in 1 article , 1 standard 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