Agent Skills: 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.

UncategorizedID: fl-sean03/agentic-science-worker/quantum-espresso

Author

fl-sean03

https://github.com/fl-sean03 View all skills

Repository

fl-sean03/agentic-science-worker

fl-sean03

Install this agent skill to your local

pnpm dlx add-skill https://github.com/fl-sean03/agentic-science-worker/quantum-espresso

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