electronic · v0.1.0 · 2026-03-23 · sha256 a3130f50e6fa3c8b
electronic v0.1.0A
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--- name: electronic description: Prepare DFTB+ electronic-analysis task inputs based on prior ground-state context. Use when the user requests band/DOS-style analyses and needs prerequisite-aware setup. compatibility: Requires prior ground-state context, valid Slater-Koster parameter files, and runnable DFTB+ environment. license: MIT catalog-hidden: true metadata: author: qqgu version: 0.1.0 repository: https://github.com/dftbplus/dftbplus --- # DFTB+ Electronic Analysis (Subskill) ## Scope This skill prepares post-ground-state electronic-analysis tasks. It should: - verify prerequisite 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 (`band`, `dos`, or both) - path/mesh policy as applicable - resolution/broadening policy ## Usually should be explicit - k-path convention source - projection settings if needed - output format expectations ## Expected output 1. analysis-stage input/script updates 1. prerequisite check summary 1. settings summary and assumptions 1. handoff note to `dpdisp-submit` if execution is requested