Phone Harness
ShawnPana/phone-harness
Control the user's phone - an iPhone through the Mac's iPhone Mirroring window, an Android over adb, a rented cloud Android, or a cloud iPhone over HTTPS: open apps, tap, type, swipe, read the screen.
General phonon-workflow skill built around phonopy, independent of force backend.
Install Phonopy
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopy --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/analysis/phonopy .claude/skills/phonopy && rm -rf skills-srcUse ~/.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/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .claude/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopyType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopy --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/analysis/phonopy .agents/skills/phonopy && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .agents/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopy --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/analysis/phonopy .cursor/skills/phonopy && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .cursor/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git --path analysis/phonopy--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopy --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/analysis/phonopy .gemini/skills/phonopy && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .gemini/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopyInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/analysis/phonopy .github/skills/phonopy && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .github/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills phonopy --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/analysis/phonopy .opencode/skills/phonopy && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "phonopy" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/analysis/phonopy into .opencode/skills/phonopy/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "phonopy", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
Facts
- Skill name
phonopy- GitHub stars
- 148
- Token cost
- ~1.2k tokens
- SKILL.md length
- 498 words
- Files
- 2 (incl. references)
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
General phonon-workflow skill built around phonopy, independent of force backend.
- Works in 2 steps: phonopy skill: displacement generation,… → backend skill: compute forces for each…
- You need to prepare finite-displacement phonon calculations
- SKILL.md covers Scope, Hard requirement, Backend abstraction and Expected workflow, plus 5 more sections
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Phonopy is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. 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.
Its SKILL.md is about 1.2k tokens, which your agent loads only when the skill is triggered. The skill folder holds 2 other files, including reference files (for example `references/commands-and-workflow.md`). Compatibility notes: Requires phonopy and a force provider workflow (e.g., VASP/QE/MLFF) that can return forces for displaced supercells.
It sits in Mobile, covering Mobile testing and debugging. The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is LGPL-3.0-or-later.
When your agent uses it
- You need to prepare finite-displacement phonon calculations
- Build force constants
- Analyze phonon properties (band structure
- Thermal quantities) while obtaining forces from different engines such as VASP
Example prompts
- “/phonopy”
Requirements
- Compatibility (from SKILL.md): Requires phonopy and a force provider workflow (e.g., VASP/QE/MLFF) that can return forces for displaced supercells.
Workflow steps
2 steps, taken from the first numbered list in SKILL.md.
- phonopy skill: displacement generation, dataset/force-constant assembly, phonon analysis
- backend skill: compute forces for each displaced supercell
What it can do on your machine
Read from SKILL.md and the folder at commit 5c19e75. 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.
Compatibility
Requires phonopy and a force provider workflow (e.g., VASP/QE/MLFF) that can return forces for displaced supercells.
From compatibility in the SKILL.md frontmatter.
Context cost
Phonopy loads about 1.2k tokens when it runs, and up to ~1.6k if it reads all its reference files. Until then it costs about 88 tokens; SKILL.md has 498 words of instructions outside code blocks.
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
The full file from jinzhezenggroup/computational-chemistry-agent-skills at commit 5c19e75, republished under its LGPL-3.0-or-later licence (© jinzhezenggroup). 498 words, ~1,164 tokens.
Download SKILL.mdSave it as
.claude/skills/phonopy/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.- name
- phonopy
- description
- 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.
- compatibility
- Requires phonopy and a force provider workflow (e.g., VASP/QE/MLFF) that can return forces for displaced supercells.
- license
- LGPL-3.0-or-later
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://github.com/phonopy/phonopy
Phonopy (Backend-Agnostic)
Use this skill as a general phonon orchestration layer.
It treats force calculation as a pluggable backend step and focuses on phonopy data flow.
Scope
This skill should:
- generate displacement supercells from a user-provided structure
- define and validate force-collection requirements
- build force constants from collected forces
- run phonon analysis (band, DOS, thermal properties)
- summarize assumptions and remaining decisions
This skill should not:
- assume a single force engine
- fabricate force data
- submit cluster jobs directly
If execution/submission is required, hand off run steps to submission skills (for example dpdisp-submit) and backend-specific input skills.
Hard requirement
Phonon workflows require both:
- a valid initial structure (unit cell / primitive context)
- force data on displaced supercells (or precomputed force constants)
If either is missing, stop and ask for it.
Backend abstraction
Force provider may be one of:
- DFT backend (for example VASP or QE)
- ML force field backend (for example DeePMD/LAMMPS)
The role split should be:
phonopyskill: displacement generation, dataset/force-constant assembly, phonon analysis- backend skill: compute forces for each displaced supercell
Expected workflow
- Read and validate initial structure.
- Confirm phonon objective (
band,dos,thermal, combinations). - Choose supercell and displacement settings.
- Generate displaced supercells (
phonopy -dstyle). - Route displaced structures to selected backend for force evaluation.
- Collect forces and build
FORCE_SETSor force constants. - Run requested phonon analysis and export outputs.
- Report assumptions, convergence caveats, and next steps.
For concrete command patterns, see references/commands-and-workflow.md.
Parameters to collect
Must provide
- initial structure file (placeholder examples like
structure.extmean real files such asPOSCAR,.cif, or other backend-compatible structure formats) - backend choice for force evaluation
- supercell setting (matrix or size)
- displacement amplitude (
--amplitudepolicy) - target phonon outputs (
band,dos,thermal)
Usually should be explicit
- primitive matrix choice
- symmetry tolerance settings
- q-point mesh for DOS/thermal calculations
- band path definition source (if band requested)
Show full SKILL.md (191 more words)Show less
Task-specific
For band:
- high-symmetry path definition
- number of points per segment
For dos/thermal:
- mesh density
- temperature range/step for thermal properties
Required behavior
- Validate structure periodicity and cell.
- Make backend boundary explicit before running force steps.
- Keep traceable mapping between each displacement and force file.
- Check force dataset completeness before force-constant build.
- Report non-analytic corrections / long-range settings status when relevant.
- Flag unresolved scientific choices instead of guessing silently.
Defaulting policy
Allowed only for low-risk defaults with explicit labels.
Reasonable defaults:
- finite-displacement workflow as baseline
- moderate displacement amplitude for first pass
- standard mesh/band resolution for exploratory analysis
Do not silently invent:
- backend force results
- production-level convergence settings
- band path conventions when crystal standard is unclear
Expected output
Provide:
- generated displacement task layout
- force-data assembly status (
FORCE_SETS/force constants) - requested phonon outputs (band/DOS/thermal files)
- explicit assumptions and unresolved decisions
- handoff guidance if backend execution/submission is pending
Common failure points
- missing or inconsistent force files for displacements
- supercell too small for stable phonon results
- inconsistent units/conventions across backend outputs
- imaginary modes caused by insufficient convergence or setup choices
- unclear band path convention for non-standard cells
© jinzhezenggroup, LGPL-3.0-or-later. 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 (references) in analysis/phonopy of jinzhezenggroup/computational-chemistry-agent-skills.
- SKILL.md
- references/commands-and-workflow.md
Open the folder on GitHubat commit 5c19e75
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.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Phonopy this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~1.2k | Automated safety check: Pass | LGPL-3.0-or-later | |
| Phone HarnessShawnPana/phone-harness | 3.2k | — | ~7.7k | Automated safety check: Pass | MIT | |
| Maa Issue Log AnalysisMaaAssistantArknights/MaaAssistantArknights | 24k | — | ~4k | Automated safety check: Pass | AGPL-3.0 | |
| Mobile QAtloncorp/tlon-apps | 107 | — | ~2.4k | Automated safety check: Pass | MIT | |
| Store Listing Screenshotstherxmv/Telegram-Themer | 119 | — | ~2.5k | Automated safety check: Pass | None | |
| Maestro ImproveReinaMacCredy/maestro | 233 | — | ~1.9k | Automated safety check: Pass | MIT |
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Related
Categories
Questions about Phonopy
What does Phonopy do?
General phonon-workflow skill built around phonopy, independent of force backend. Phonopy is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. General phonon-workflow skill built around phonopy, independent of force backend.
When should I use Phonopy?
Phonopy fits situations like: you need to prepare finite-displacement phonon calculations; build force constants; analyze phonon properties (band structure; thermal quantities) while obtaining forces from different engines such as VASP.
How do I install Phonopy in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a claude-code`. Or copy the skill folder (analysis/phonopy in jinzhezenggroup/computational-chemistry-agent-skills) 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 jinzhezenggroup/computational-chemistry-agent-skills --skill phonopy -a codex`. Or copy the skill folder (analysis/phonopy in jinzhezenggroup/computational-chemistry-agent-skills) 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 jinzhezenggroup/computational-chemistry-agent-skills --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. Compatibility (from SKILL.md): Requires phonopy and a force provider workflow (e.g., VASP/QE/MLFF) that can return forces for displaced supercells..
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 is published under the LGPL-3.0-or-later licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
How many tokens does Phonopy use?
About 1.2k tokens (SKILL.md is roughly 4.7k 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 474 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: Phone Harness (ShawnPana/phone-harness, 3.2k stars), Maa Issue Log Analysis (MaaAssistantArknights/MaaAssistantArknights, 24k stars), Mobile QA (tloncorp/tlon-apps, 107 stars) and Store Listing Screenshots (therxmv/Telegram-Themer, 119 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Phonopy?
jinzhezenggroup (a GitHub organization) maintains it in jinzhezenggroup/computational-chemistry-agent-skills, which has 148 GitHub stars. The repository holds 62 skills in this directory. The repository was last updated on October 9, 2026.
Source: jinzhezenggroup/computational-chemistry-agent-skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.