📋 Quantum Espresso
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
npx playbooks add skill fl-sean03/agentic-science-worker --skill quantum-espresso
About
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.. This skill provides a specialized system prompt that configures your AI coding agent as a quantum espresso expert, with detailed methodology and structured output formats.
Compatible with Claude Code, Cursor, GitHub Copilot, Windsurf, OpenClaw, Cline, and any agent that supports custom system prompts.
Example Prompts
System Prompt (26 words)
Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
