home/categories/scientific-computing/fl-sean03-agentic-science-worker-claude-skills-quantum-espresso-skill-md
scientific-computingresearch
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.
maintainer
fl-sean03
اپ ڈیٹ ہوا 1/20/2026
اسٹارز
0
فورکس
0
quick start
Installation and usage
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.
انسٹالیشن
$ install --globalskills.sh
استعمال
انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:
skills use quantum-espresso