Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings.

LGPL-3.0-or-laterAuto-check passed

Install Dos

skills CLI
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a claude-code

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

GitHub CLI
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dos --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/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/quantum-chemistry/dft-vasp/dos .claude/skills/dos && 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
dos
GitHub stars
148
Token cost
~372 tokens
SKILL.md length
123 words
Files
1
Skills in repo
62
Repo updated
First seen
Licence
LGPL-3.0-or-later

At a glance

Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings.

  • Works in 4 steps: DOS-stage task directory/input updates → prerequisite check summary → settings summary and assumptions → …
  • The user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs
  • 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

Dos is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings. Use when the user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs.

Its SKILL.md is about 370 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 artifacts 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 total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs

Example prompts

  • “/dos”

Requirements

  • Compatibility (from SKILL.md): Requires prerequisite SCF artifacts and valid VASP pseudopotential resources/license in the target environment.

Workflow steps

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

  1. DOS-stage task directory/input updates
  2. prerequisite check summary
  3. settings summary and assumptions
  4. 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 artifacts and valid VASP pseudopotential resources/license in the target environment.

    From compatibility in the SKILL.md frontmatter.

Context cost

Dos loads about 372 tokens when it runs. Until then it costs about 61 tokens; SKILL.md has 123 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~61
When it runs · the whole SKILL.md, loaded when a task matches
~372

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). 123 words, ~372 tokens.

Download SKILL.mdSave it as .claude/skills/dos/SKILL.md (or your agent's skills folder).
name
dos
description
Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings. Use when the user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs.
compatibility
Requires prerequisite SCF artifacts 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 DOS Preparation (Subskill)

Scope

This skill prepares DOS-stage input tasks only.

It should:

  • verify prerequisite SCF context is available
  • prepare DOS-specific INCAR/KPOINTS settings
  • report assumptions and unresolved choices

It should not submit or execute jobs.

Prerequisites

Require explicit availability of prior SCF outputs as needed by the target workflow (for example charge density / wavefunction continuity expectations).

If prerequisites are missing, stop and ask for them.

Must provide

  • source SCF context path
  • DOS intent (total DOS or projected DOS)
  • energy-window / resolution expectations
  • smearing policy and key electronic settings

Usually should be explicit

  • NEDOS
  • LORBIT
  • ISMEAR / SIGMA
  • k-point policy

Expected output

  1. DOS-stage task directory/input updates
  2. prerequisite check summary
  3. settings summary and assumptions
  4. handoff note to dpdisp-submit if 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/dos of jinzhezenggroup/computational-chemistry-agent-skills.

Open the folder on GitHubat commit 5c19e75

Compare with similar skills

Dos 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.

Dos compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
Dos this skilljinzhezenggroup/computational-chemistry-agent-skills148—~372Automated safety check: PassLGPL-3.0-or-later
Audit Preparationsickn33/agentic-awesome-skills47k1 repos~5.3kAutomated safety check: PassMIT
Od Next Media Inputsnexu-io/open-design100k—~1.1kAutomated safety check: PassApache-2.0
Search Inputthedaviddias/Front-End-Checklist74k—~402Automated safety check: PassMIT
Input Typesthedaviddias/Front-End-Checklist74k—~487Automated safety check: PassMIT
Paste Inputsthedaviddias/Front-End-Checklist74k—~443Automated safety check: PassMIT

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Questions about Dos

What does Dos do?

Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings. Dos is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare VASP DOS workflow inputs from existing SCF artifacts and user-specified DOS settings.

When should I use Dos?

Dos fits situations like: the user requests total/projected DOS setup and needs INCAR/KPOINTS preparation with explicit prerequisite checks against prior SCF runs.

How do I install Dos in Claude Code?

Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a claude-code`. Or copy the skill folder (quantum-chemistry/dft-vasp/dos in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/dos in your project. Claude Code loads it when a task matches its description.

How do I install Dos in Codex?

Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dos -a codex`. Or copy the skill folder (quantum-chemistry/dft-vasp/dos in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/dos in your project. Codex loads it when a task matches its description.

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

What does Dos need to run?

SKILL.md names no scripts, command-line tools or credentials: Dos is instructions for the agent only. Compatibility (from SKILL.md): Requires prerequisite SCF artifacts and valid VASP pseudopotential resources/license in the target environment..

Does Dos 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 Dos 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 Dos use?

Dos 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 Dos use?

About 372 tokens (SKILL.md is roughly 1.5k 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 Dos?

Skills that share tags, products or a category with Dos: 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 Dos?

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.