astronomy-physicsresearch
phonopy
General phonon-workflow skill built around phonopy, independent of force backend. USE WHEN you need to prepare finite-displacement phonon calculations, build force constants, and analyze phonon properties (band structure, DOS, thermal quantities) while obtaining forces from different engines such as VASP, Quantum ESPRESSO, or ML force fields.
maintainer
GodJh1n
更新於 4/11/2026
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quick start
Installation and usage
General phonon-workflow skill built around phonopy, independent of force backend. USE WHEN you need to prepare finite-displacement phonon calculations, build force constants, and analyze phonon properties (band structure, DOS, thermal quantities) while obtaining forces from different engines such as VASP, Quantum ESPRESSO, or ML force fields.
安裝
$ install --globalskills.sh
使用
安裝後，您可以透過在終端機執行以下指令來使用此技能：
skills use phonopy