vasp

Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations

Jump to install Review files

Repository: jkitchin/skillz
Last source activity: March 7, 2026 at 18:34
Detected SKILL.md language: English
Stars: 41
Forks: 9

Install options

The review-first prompt is selected by default. You can switch to a direct command or download a local copy.

Install with an AI assistant

Copy this prompt into the AI assistant you're using.

Follow https://skillsmp.com/skill-install/prompt.md to install only the Agent Skill at https://github.com/jkitchin/skillz/tree/main/skills/programming/vasp.

A direct command skips the review prompt. Inspect the source before running it.

npx skills add https://github.com/jkitchin/skillz --skill vasp

The command stays on one line. Scroll horizontally to inspect it before copying.

Prefer a local copy? Download the files currently available to SkillsMP.

Review the source files

Read SKILL.md and any companion files shown by SkillsMP before deciding whether to install.

File Explorer

30 files

SKILL.md

Source instructions · Read-only preview

name	vasp
description	Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations

Back to search Back to installation

planning

Structured planning and project breakdown using proven methodologies for goals, projects, and strategic initiatives. Use when users need to create plans, break down complex projects, set milestones, estimate timelines, identify dependencies, or develop action plans. Triggers include 'help me plan,' 'create a roadmap for,' 'break down this project,' 'what are the steps to,' or 'how should I approach.'

2026-03-07

python-best-practices

Expert guidance for writing professional Python code following industry best practices including PEP 8 compliance, testing, type hints, error handling, and modern tooling. Use this skill when writing new Python code, refactoring existing code, setting up Python projects, implementing tests, or ensuring code quality and maintainability. Emphasizes: PEP 8, modularity, DRY principle, TDD, virtual environments (uv), and modern tooling (Ruff, Black, Mypy).

2026-03-07

phd-qualifier

Expert evaluation of Chemical Engineering PhD qualifying exams - review written reports, presentations, and prepare comprehensive questioning sessions to assess student readiness for doctoral research

2026-03-07

View all from this repository

vasp

Source facts

Install options

Install with an AI assistant

Review the source files

More from this repository

Install with an AI assistant

More from this repository