Finite-displacement phonon workflows with phonopy. An agent skill from JCLiuGroup/AI-Computational-Chemist.

Custom licenceAuto-check passed

Install Phonopy

skills CLI
$ npx skills add JCLiuGroup/AI-Computational-Chemist --skill phonopy -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install JCLiuGroup/AI-Computational-Chemist phonopy --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .claude/skills && cp -r skills-src/tools/phonopy .claude/skills/phonopy && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
phonopy
GitHub stars
145
Used in
1 other repo
Token cost
~351 tokens
SKILL.md length
131 words
Files
6 (incl. references)
Skills in repo
21
Repo updated
First seen
Licence
Custom licence

At a glance

Finite-displacement phonon workflows with phonopy. An agent skill from JCLiuGroup/AI-Computational-Chemist.

  • Displacement generation
  • SKILL.md covers Where to find what and Hard guardrails
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
  • Force collection from VASP

What it does

Phonopy is an agent skill from JCLiuGroup/AI-Computational-Chemist. Finite-displacement phonon workflows with phonopy. Use for displacement generation, force collection from VASP or MLP backends, force constants, phonon band structure and DOS, thermal properties, and imaginary-mode diagnosis.

Its SKILL.md is about 350 tokens, which your agent loads only when the skill is triggered. The skill folder holds 7 other files, including reference files (for example `examples/README.md`, `references/errors.md` and `references/resources.md`).

When your agent uses it

  • Displacement generation
  • Force collection from VASP
  • Force constants
  • Phonon band structure and DOS

Example prompts

  • “/phonopy”

What it can do on your machine

Read from SKILL.md and the folder at commit e27b555. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    No scripts in the folder and no shell commands in SKILL.md.

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    No URLs in SKILL.md.

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

Phonopy loads about 351 tokens when it runs, and up to ~1.8k if it reads all its reference files. Until then it costs about 58 tokens; SKILL.md has 131 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~58
When it runs · the whole SKILL.md, loaded when a task matches
~351
With references · SKILL.md plus every file in references/, read only if the agent opens them
~1.8k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 131 words (~351 tokens).

“Pipeline: tightly relaxed structure → displacements → one static force run each (identical settings) → FORCE_SETS → band/DOS/thermal analysis.”

— opening of SKILL.md by JCLiuGroup, Custom licence
name
phonopy

Read the full SKILL.md on GitHub

Files

SKILL.md and 5 other files (references) in tools/phonopy of JCLiuGroup/AI-Computational-Chemist.

  • SKILL.md
  • examples/README.md
  • references/errors.md
  • references/resources.md
  • references/running.md
  • references/validation.md

Open the folder on GitHubat commit e27b555

Used in 1 other repository

We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in JCLiuGroup/AI-Computational-Chemist, which our catalogue first saw on October 7, 2026.

Compare with similar skills

Phonopy next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

Phonopy compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Phonopy this skillJCLiuGroup/AI-Computational-Chemist1451 repos~351Automated safety check: PassCustom licence
Porters Five Forcesphuryn/pm-skills27k—~2kAutomated safety check: PassMIT
Detecting Rdp Brute Force Attacksmukul975/Anthropic-Cybersecurity-Skills34k—~779Automated safety check: PassApache-2.0
Phononlamm-mit/scienceclaw244—~871Automated safety check: PassApache-2.0
Hunt Brute Forcesickn33/agentic-awesome-skills47k1 repos~4.9kAutomated safety check: PassMIT
Porters Five Forcesdeanpeters/Product-Manager-Skills7.2k—~2.7kAutomated safety check: PassCustom licence

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Questions about Phonopy

What does Phonopy do?

Finite-displacement phonon workflows with phonopy. An agent skill from JCLiuGroup/AI-Computational-Chemist. Phonopy is an agent skill from JCLiuGroup/AI-Computational-Chemist. Finite-displacement phonon workflows with phonopy.

When should I use Phonopy?

Phonopy fits situations like: displacement generation; force collection from VASP; force constants; phonon band structure and DOS.

How do I install Phonopy in Claude Code?

Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill phonopy -a claude-code`. Or copy the skill folder (tools/phonopy in JCLiuGroup/AI-Computational-Chemist) into .claude/skills/phonopy in your project. Claude Code loads it when a task matches its description.

How do I install Phonopy in Codex?

Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill phonopy -a codex`. Or copy the skill folder (tools/phonopy in JCLiuGroup/AI-Computational-Chemist) into .agents/skills/phonopy in your project. Codex loads it when a task matches its description.

Can I use Phonopy in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill phonopy -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/phonopy, .gemini/skills/phonopy, .github/skills/phonopy and .opencode/skills/phonopy in your project.

What does Phonopy need to run?

SKILL.md names no scripts, command-line tools or credentials: Phonopy is instructions for the agent only.

Does Phonopy access the network?

SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.

Is Phonopy safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does Phonopy use?

Phonopy has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.

How many tokens does Phonopy use?

About 351 tokens (SKILL.md is roughly 1.4k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 1.4k tokens, read only when the agent opens those files.

What are the alternatives to Phonopy?

Skills that share tags, products or a category with Phonopy: Porters Five Forces (phuryn/pm-skills, 27k stars), Detecting Rdp Brute Force Attacks (mukul975/Anthropic-Cybersecurity-Skills, 34k stars), Phonon (lamm-mit/scienceclaw, 244 stars) and Hunt Brute Force (sickn33/agentic-awesome-skills, 47k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Phonopy?

JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 145 GitHub stars. The repository holds 21 skills in this directory. The repository was last updated on September 27, 2026.

Source: JCLiuGroup/AI-Computational-Chemist on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.