Vasp Calculation
Description
--- name: vasp-calculation description: Create a new VASP calculation using the vasp-ase interface. Use when the user wants to set up a DFT calculation, compute energies, or run VASP. --- # VASP Calculation Skill When helping users create VASP calculations: ## 1. Understand the Task Ask clarifying questions if needed: - What property to calculate (energy, relaxation, DOS, bands, etc.)? - What material/structure? - What level of theory (PBE, HSE06, with vdW, etc.)? ## 2. Create the Structure
Installation
Installs to ~/.claude/skills/jkitchin-vasp-vasp-calculation/SKILL.md
mkdir -p ~/.claude/skills/jkitchin-vasp-vasp-calculation && curl -fsSL https://raw.githubusercontent.com/jkitchin/vasp/HEAD/.claude/skills/vasp-calculation.md -o ~/.claude/skills/jkitchin-vasp-vasp-calculation/SKILL.md Restart Claude Code, or start a new session, for it to be picked up.
Full documentation available on GitHub
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