Audit Preparation
sickn33/agentic-awesome-skills
Audit preparation register: required document, period covered, request and receipt dates, preparer and reviewer, auditor queries and adjustments.
Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings.
LGPL-3.0-or-laterAuto-check passed
Install Band
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill band -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills band --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/quantum-chemistry/dft-vasp/band .claude/skills/band && 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 "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .claude/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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/quantum-chemistry/dft-vasp/bandType 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 band -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills band --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/quantum-chemistry/dft-vasp/band .agents/skills/band && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .agents/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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 band -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills band --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/quantum-chemistry/dft-vasp/band .cursor/skills/band && 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 "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .cursor/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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 quantum-chemistry/dft-vasp/band--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 band -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills band --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/quantum-chemistry/dft-vasp/band .gemini/skills/band && 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 "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .gemini/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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 bandInstalls 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 band -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/quantum-chemistry/dft-vasp/band .github/skills/band && 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 "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .github/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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 band -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 band --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/quantum-chemistry/dft-vasp/band .opencode/skills/band && 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 "band" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-vasp/band into .opencode/skills/band/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "band", 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
band- GitHub stars
- 148
- Token cost
- ~411 tokens
- SKILL.md length
- 135 words
- Files
- 1
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings.
- Works in 5 steps: band-stage task directory/input updates → generated line-mode KPOINTS summary → prerequisite check summary → …
- The user requests electronic band-structure calculations and needs explicit prerequisite checks
- SKILL.md covers Scope, Prerequisites, Must provide and Usually should be explicit, plus 1 more section
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Band is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings. Use when the user requests electronic band-structure calculations and needs explicit prerequisite checks, line-mode KPOINTS path setup, and stage-specific INCAR preparation.
Its SKILL.md is about 410 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts. Compatibility notes: Requires prerequisite SCF context and valid VASP pseudopotential resources/license in the target environment.
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
- The user requests electronic band-structure calculations and needs explicit prerequisite checks
- Line-mode KPOINTS path setup
- Stage-specific INCAR preparation
Example prompts
- “/band”
Requirements
- Compatibility (from SKILL.md): Requires prerequisite SCF context and valid VASP pseudopotential resources/license in the target environment.
Workflow steps
5 steps, taken from the first numbered list in SKILL.md.
- band-stage task directory/input updates
- generated line-mode KPOINTS summary
- prerequisite check summary
- settings summary and assumptions
- handoff note to dpdisp-submit if execution is requested
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 prerequisite SCF context and valid VASP pseudopotential resources/license in the target environment.
From compatibility in the SKILL.md frontmatter.
Context cost
Band loads about 411 tokens when it runs. Until then it costs about 72 tokens; SKILL.md has 135 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). 135 words, ~411 tokens.
Download SKILL.mdSave it as
.claude/skills/band/SKILL.md (or your agent's skills folder).- name
- band
- description
- Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings. Use when the user requests electronic band-structure calculations and needs explicit prerequisite checks, line-mode KPOINTS path setup, and stage-specific INCAR preparation.
- compatibility
- Requires prerequisite SCF context and valid VASP pseudopotential resources/license in the target environment.
- catalog-hidden
- true
- license
- LGPL-3.0-or-later
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://vasp.at/
VASP Band Preparation (Subskill)
Scope
This skill prepares band-structure-stage input tasks only.
It should:
- verify prerequisite SCF context is available
- generate line-mode/high-symmetry-path
KPOINTS - prepare stage-appropriate INCAR settings
- report assumptions and unresolved choices
It should not submit or execute jobs.
Prerequisites
Require explicit prior SCF context and a clear crystal/path convention for band calculation.
If prerequisites are missing, stop and ask for them.
Must provide
- source SCF context path
- crystal/path convention (or explicit k-path)
- band intent and output expectations
- key electronic/smearing policy for the band stage
Usually should be explicit
- line-mode path source and tolerance
ISMEARpolicy for band stageLORBITand projection-related options when requested
Expected output
- band-stage task directory/input updates
- generated line-mode
KPOINTSsummary - prerequisite check summary
- settings summary and assumptions
- handoff note to
dpdisp-submitif execution is requested
© 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
Just SKILL.md in quantum-chemistry/dft-vasp/band of jinzhezenggroup/computational-chemistry-agent-skills.
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Band 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 |
|---|---|---|---|---|---|---|
| Band this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~411 | Automated safety check: Pass | LGPL-3.0-or-later | |
| Audit Preparationsickn33/agentic-awesome-skills | 47k | 1 repos | ~5.3k | Automated safety check: Pass | MIT | |
| Od Next Media Inputsnexu-io/open-design | 100k | — | ~1.1k | Automated safety check: Pass | Apache-2.0 | |
| Search Inputthedaviddias/Front-End-Checklist | 74k | — | ~402 | Automated safety check: Pass | MIT | |
| Input Typesthedaviddias/Front-End-Checklist | 74k | — | ~487 | Automated safety check: Pass | MIT | |
| Paste Inputsthedaviddias/Front-End-Checklist | 74k | — | ~443 | Automated safety check: Pass | MIT |
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Questions about Band
What does Band do?
Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings. Band is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare VASP band-structure workflow inputs from existing SCF context and user-specified band-path settings.
When should I use Band?
Band fits situations like: the user requests electronic band-structure calculations and needs explicit prerequisite checks; line-mode KPOINTS path setup; stage-specific INCAR preparation.
How do I install Band in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill band -a claude-code`. Or copy the skill folder (quantum-chemistry/dft-vasp/band in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/band in your project. Claude Code loads it when a task matches its description.
How do I install Band in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill band -a codex`. Or copy the skill folder (quantum-chemistry/dft-vasp/band in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/band in your project. Codex loads it when a task matches its description.
Can I use Band 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 band -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/band, .gemini/skills/band, .github/skills/band and .opencode/skills/band in your project.
What does Band need to run?
SKILL.md names no scripts, command-line tools or credentials: Band is instructions for the agent only. Compatibility (from SKILL.md): Requires prerequisite SCF context and valid VASP pseudopotential resources/license in the target environment..
Does Band 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 Band 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 Band use?
Band 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 Band use?
About 411 tokens (SKILL.md is roughly 1.6k 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 Band?
Skills that share tags, products or a category with Band: Audit Preparation (sickn33/agentic-awesome-skills, 47k stars), Od Next Media Inputs (nexu-io/open-design, 100k stars), Search Input (thedaviddias/Front-End-Checklist, 74k stars) and Input Types (thedaviddias/Front-End-Checklist, 74k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Band?
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.