electronic ยท diff

v0.1.0 to v0.1.0

1 added, 1 removed. Audit A to A.

---
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
+ license: LGPL-3.0-or-later
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