quantum-espresso-runner
Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation
Profile →npx skills add a5c-ai/babysitter --skill quantum-espresso-runner --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# Quantum ESPRESSO Runner ## Purpose Provides expert guidance on Quantum ESPRESSO DFT calculations, including input file management, pseudopotential selection, and advanced property calculations. ## Capabilities - Input file generation (pw.x, ph.x, pp.x) - Pseudopotential library management - Convergence testing automation - Wannier90 interface for tight-binding - Transport property calculations - Spin-orbit coupling handling ## Usage Guidelines 1. **Input Generation**: Create proper QE input files for pw.x, ph.x, pp.x 2. **Pseudopotentials**: Select appropriate pseudopotentials from libraries 3. **Convergence**: Test cutoff and k-point convergence systematically 4. **Wannier Functions**: Interface with Wannier90 for tight-binding models 5. **Transport**: Calculate transport properties with BoltzTraP or EPW ## Tools/Libraries - Quantum ESPRESSO - Wannier90 - EPW
- Purpose
- Capabilities
- Usage Guidelines
- Tools/Libraries
What does the quantum-espresso-runner skill do?
Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill quantum-espresso-runner --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From a5c-ai/babysitter, a repository with 1,642 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.