quantum-espresso

Quantum ESPRESSO interface for first-principles electronic structure calculations. Use for DFT calculations, phonon dispersions, and electronic properties of battery materials.

$ 安裝

git clone https://github.com/benchflow-ai/skillsbench /tmp/skillsbench && cp -r /tmp/skillsbench/shared_workspace/battery-electrolyte-analysis/environment/skills/quantum-espresso ~/.claude/skills/skillsbench

// tip: Run this command in your terminal to install the skill