Portable DFT and VASP workflow skill for literature-grounded materials simulation. Use this skill whenever the user asks about DFT, VASP, density functional theory, first-principles or ab initio modeling, 第一性原理, structure download, CIF/POSCAR generation, DFT+U, magnetic order, slabs, interfaces, adsorption, defects, NEB, DOS, PDOS, Bader analysis, optical properties, or wants to convert a paper claim or experimental mechanism into a reproducible computational workflow across Clouds_Coder, Codex, Claude Code, or OpenCode.
How to install dft-workflow-orchestrator?
fonatech/dft_skills/dft-workflow-orchestrator
$npx -y skills add fonatech/dft_skills --skill dft-workflow-orchestratorInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/fonatech/dft_skills" --skill "fonatech/dft_skills/dft-workflow-orchestrator"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/fonatech/dft_skills" that are relevant to the current task. Run `npx skills add "https://github.com/fonatech/dft_skills"` and select the relevant skills, then follow their instructions.
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