vasp-dft-calculator
VASP DFT calculation skill for electronic structure, band structures, and materials property predictions
Profile →npx skills add a5c-ai/babysitter --skill vasp-dft-calculator --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.
# VASP DFT Calculator Skill ## Purpose Provide comprehensive integration with VASP for density functional theory calculations, electronic structure analysis, and materials property predictions. ## Capabilities - INCAR/POSCAR/POTCAR generation - k-point mesh optimization - Self-consistent field convergence management - Band structure and DOS calculation - Geometry optimization workflows - Phonon calculation setup (with Phonopy) ## Usage Guidelines - Select appropriate exchange-correlation functionals - Converge k-point mesh and energy cutoff systematically - Use appropriate smearing methods for metals vs insulators - Document pseudopotential versions for reproducibility ## Dependencies - VASP - VASPKIT - Phonopy - pymatgen ## Process Integration - Density Functional Theory Calculations - Material Synthesis and Characterization - Phase Transition Investigation
- Purpose
- Capabilities
- Usage Guidelines
- Dependencies
- Process Integration
What does the vasp-dft-calculator skill do?
VASP DFT calculation skill for electronic structure, band structures, and materials property predictions
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill vasp-dft-calculator --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.