From the author
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.
Install
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a claude-code
Installs to .claude/skills/phonopy/ · Each command fetches the skill straight from GitHub with the open skills CLI.
No download: this skill’s licence (LGPL-3.0) does not let us redistribute its files. The install commands fetch them from GitHub instead.
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