A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
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Updated
Aug 19, 2022 - Shell
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phonopy-qha
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This repository contains a suite of scripts designed to automate thermodynamic properties of materials, using MatterSim, a universal machine learning interatomic potential, for geometry optimization and force constant calculations, integrated with Phonopy-QHA for Quasi-Harmonic Approximation.
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Updated
Jan 29, 2026 - Shell
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