Agent skill

Phonon

by lamm-mit in lamm-mit/scienceclaw

Compute phonon properties and assess dynamic stability using ML potentials via phonopy

Apache-2.0Auto-check passed

Install Phonon

skills CLI
$ npx skills add lamm-mit/scienceclaw --skill phonon -a claude-code

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

GitHub CLI
$ gh skill install lamm-mit/scienceclaw phonon --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/lamm-mit/scienceclaw.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/phonon .claude/skills/phonon && 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
phonon
GitHub stars
244
Token cost
~871 tokens
SKILL.md length
309 words
Files
2 (incl. scripts)
Skills in repo
85
Repo updated
First seen
Licence
Apache-2.0

At a glance

Compute phonon properties and assess dynamic stability using ML potentials via phonopy

  • Works in 8 steps: Load structure from CIF file → Create phonopy object with appropriate… → Generate symmetry-inequivalent displaced… → …
  • SKILL.md covers Prerequisites, Scripts, Parameters and Output (JSON), plus 2 more sections
  • Runs Python scripts from its folder; calls python3 and pip

What it does

Phonon is an agent skill from lamm-mit/scienceclaw. Compute phonon properties and assess dynamic stability using ML potentials via phonopy

Its SKILL.md is about 870 tokens, which your agent loads only when the skill is triggered. The skill folder holds 2 other files, including scripts (for example `scripts/phonon_stability.py`).

The licence is Apache-2.0.

Example prompts

  • “/phonon”

Requirements

  • Python 3

Workflow steps

8 steps, taken from the first numbered list in SKILL.md.

  1. Load structure from CIF file
  2. Create phonopy object with appropriate supercell
  3. Generate symmetry-inequivalent displaced supercells (finite displacement method)
  4. Compute forces on each displaced supercell using UMA
  5. Build force constant matrix, apply symmetry and acoustic sum rule
  6. Compute phonon frequencies at commensurate q-points
  7. Check for imaginary modes → determine stability
  8. Optionally compute thermal properties (free energy, entropy, heat capacity)

What it can do on your machine

Read from SKILL.md and the folder at commit ab9aba1. 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

    Ships 1 file in scripts/ (Python), which the agent can run.

    Shell commands in SKILL.md call:

    • python3
    • pip

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

  • Network

    Links to these hosts (documentation or services it may open):

    • phonopy.github.io

    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

Phonon loads about 871 tokens when it runs. Until then it costs about 23 tokens; SKILL.md has 309 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~23
When it runs · the whole SKILL.md, loaded when a task matches
~871

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); the scripts in this folder are not scanned.

SKILL.md

The full file from lamm-mit/scienceclaw at commit ab9aba1, republished under its Apache-2.0 licence (© lamm-mit). 309 words, ~871 tokens.

Download SKILL.mdSave it as .claude/skills/phonon/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.
name
phonon
description
Compute phonon properties and assess dynamic stability using ML potentials via phonopy

Phonon Skill

Compute phonon properties (frequencies, DOS, thermal properties) and assess dynamic stability of crystal structures using the finite-displacement method via phonopy with forces from ML interatomic potentials (UMA/fairchem).

A structure is dynamically stable if all phonon frequencies are real (no imaginary modes). Imaginary frequencies indicate the structure is at a saddle point on the potential energy surface and would spontaneously distort.

Prerequisites

  • phonopy installed (pip install phonopy)
  • fairchem-core installed (for UMA calculator)
  • ase installed
  • GPU recommended for UMA force calculations

Scripts

phonon_stability.py — Check dynamic stability of crystal structures

From a directory of CIF files:

bash
python3 {baseDir}/scripts/phonon_stability.py \
  --structures-dir ./relaxed_structures \
  --format json

From a single CIF file:

bash
python3 {baseDir}/scripts/phonon_stability.py \
  --structure relaxed_LaH10.cif \
  --format json

With custom supercell size:

bash
python3 {baseDir}/scripts/phonon_stability.py \
  --structures-dir ./candidates \
  --supercell 2,2,2 \
  --model uma-s-1p2 \
  --format json

Parameters

ParameterDescription
--structurePath to a single CIF/POSCAR file
--structures-dirDirectory of CIF files to analyze
--after-jobSLURM job ID to wait for before starting (e.g. wait for UMA screening to finish)
--supercellSupercell dimensions (default: auto, typically 2,2,2)
--displacementFinite displacement distance in Angstrom (default: 0.01)
--modelUMA checkpoint (default: uma-m-1p1)
--taskUMA task (default: omat)
--devicecuda (default) or cpu
--imaginary-thresholdFrequency threshold in THz for instability (default: -0.5)
--output-dirDirectory for output files
--formatsummary | json

Output (JSON)

json
{
  "status": "COMPLETED",
  "results": [
    {
      "label": "LaH10_relaxed",
      "formula": "LaH10",
      "dynamically_stable": true,
      "min_frequency_THz": 0.23,
      "max_frequency_THz": 45.2,
      "n_imaginary_modes": 0,
      "n_modes": 33,
      "thermal_properties": {
        "300K": {
          "free_energy_kJ_per_mol": -12.5,
          "entropy_J_per_mol_K": 45.2,
          "heat_capacity_J_per_mol_K": 38.1
        }
      }
    }
  ]
}

Dynamic Stability Criteria

A structure is flagged as dynamically unstable if:

  • Any phonon frequency at the Gamma point is below the imaginary threshold (default: -0.5 THz)
  • Any phonon frequency at non-Gamma q-points is below 0 THz

Small negative frequencies near Gamma (> -0.5 THz) are typically numerical artifacts from the acoustic sum rule and are ignored.

How It Works

  1. Load structure from CIF file
  2. Create phonopy object with appropriate supercell
  3. Generate symmetry-inequivalent displaced supercells (finite displacement method)
  4. Compute forces on each displaced supercell using UMA
  5. Build force constant matrix, apply symmetry and acoustic sum rule
  6. Compute phonon frequencies at commensurate q-points
  7. Check for imaginary modes → determine stability
  8. Optionally compute thermal properties (free energy, entropy, heat capacity)

© lamm-mit, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

SKILL.md and 1 other file (scripts) in skills/phonon of lamm-mit/scienceclaw.

  • SKILL.md
  • scripts/phonon_stability.py

Open the folder on GitHubat commit ab9aba1

Compare with similar skills

Phonon 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.

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Dynamic Workflow Modeaffaan-m/ECC275k1 repos~1.3kAutomated safety check: PassMIT
Senior Computer Visionalirezarezvani/claude-skills28k2 repos~3.2kAutomated safety check: PassMIT

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Questions about Phonon

What does Phonon do?

Compute phonon properties and assess dynamic stability using ML potentials via phonopy. Phonon is an agent skill from lamm-mit/scienceclaw.

How do I install Phonon in Claude Code?

Run `npx skills add lamm-mit/scienceclaw --skill phonon -a claude-code`. Or copy the skill folder (skills/phonon in lamm-mit/scienceclaw) into .claude/skills/phonon in your project. Claude Code loads it when a task matches its description.

How do I install Phonon in Codex?

Run `npx skills add lamm-mit/scienceclaw --skill phonon -a codex`. Or copy the skill folder (skills/phonon in lamm-mit/scienceclaw) into .agents/skills/phonon in your project. Codex loads it when a task matches its description.

Can I use Phonon 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 lamm-mit/scienceclaw --skill phonon -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/phonon, .gemini/skills/phonon, .github/skills/phonon and .opencode/skills/phonon in your project.

What does Phonon need to run?

Going by SKILL.md and its folder, Phonon needs Python for the scripts in its folder and the command-line tools its instructions call (python3 and pip). Our summary lists: Python 3.

Does Phonon access the network?

SKILL.md names 1 domain. As links in the text: phonopy.github.io. This is read from the text; nothing was executed.

Is Phonon 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. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.

What licence does Phonon use?

Phonon is published under the Apache-2.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Phonon use?

About 871 tokens (SKILL.md is roughly 3.5k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to Phonon?

Skills that share tags, products or a category with Phonon: Ito Compute (affaan-m/ECC, 275k stars), CSS At Property (thedaviddias/Front-End-Checklist, 74k stars), Senior Computer Vision (davila7/claude-code-templates, 32k stars) and Dynamic Workflow Mode (affaan-m/ECC, 275k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Phonon?

lamm-mit (a GitHub user) maintains it in lamm-mit/scienceclaw, which has 244 GitHub stars. The repository holds 85 skills in this directory. The repository was last updated on August 21, 2026.

Source: lamm-mit/scienceclaw on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.