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Published February 25, 2019 | Version 0.4
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hiPhive — High-order force constants for the masses

  • 1. Chalmers University of Technology, Gothenburg, Sweden

Description

hiPhive is a tool for efficiently extracting high-order force constants from atomistic simulations, most commonly density functional theory calculations. A detailed description of the functionality provided as well as an extensive tutorial can be found in the user guide. hiPhive is written in Python, which allows easy integration with countless first-principles codes and analysis tools accessible in Python, and allows for a simple and intuitive user interface.

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hiphive-0.4.zip

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