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Castep dft

Skill yiqingwen0828-dotcom/castep-dft/plugins/castep-dft/skills/castep-dft

Claude Code skill for CASTEP DFT: geometry optimization, convergence testing, phonons, NEB barriers, electronic structure — with a battle-tested troubleshooting guide (the fix_com NEB trap, SCF non-convergence, PBE+U)From the repository description

Install
npx -y skills add yiqingwen0828-dotcom/castep-dft --skill castep-dft

Assembled from the repository path, not quoted from the project. Check it against their README if it does not work.

One thing to look at

  • 0 stars0 stars. Stars are a popularity signal and not a quality one, but at this level it is likely that nobody has read this closely except its author, and you would be relying on your own review.

What ships with it: 13 files

34.4 KB alongside SKILL.md, 2 of them executable

agents/

references/

scripts/

templates/

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