Electronic

Skill jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k/electronic

Prepare CP2K electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.From its SKILL.md

Install

npx -y skills add jinzhezenggroup/computational-chemistry-agent-skills --skill electronic

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

What its file declares

Copied from the file, not written here

The file declares its own license as MIT. That is the author’s claim about this one file, and it is not the same thing as the license GitHub reports for the repository, which is listed with the other numbers below.

SKILL.md

1.3 KB, 176 tokens by cl100k_base, as published. Nobody here has run it

CP2K Electronic Analysis (Subskill)

Scope

This skill prepares post-ground-state electronic-analysis tasks.

It should:

verify prerequisite converged context
prepare analysis-specific input controls
report assumptions and unresolved choices

It should not submit or execute jobs.

Prerequisites

Require explicit prior converged context compatible with requested analysis.

If prerequisites are missing, stop and ask for them.

Must provide

source context path
analysis intent (for example DOS/PDOS/band-like workflow)
mesh/path/resolution policy as applicable

Usually should be explicit

projection settings
broadening/plotting policy
export format expectations

Expected output

analysis-stage input updates
prerequisite check summary
settings summary and assumptions
handoff note to dpdisp-submit if execution is requested

What ships with it

Read from the repository

Just SKILL.md. No reference files, no scripts.