Use when the task involves WannierTools workflows, including wt.in design, handoff from wannier90_hr.dat or tight-binding models, surface-state, bulk-band, Fermi-arc, and Wilson-loop analyses, and diagnosis of WT.out or model-readiness issues.
This skill is for WannierTools and similar topological post-processing from an already validated Wannier tight-binding model. Use it when the user needs help preparing wt.in, checking model handoff, or reviewing surface or topological analysis outputs.
Use this skill when the request mentions or implies:
WannierTools, wt.in, WT.out, wannier90_hr.datPrioritize missing information in this order:
Never silently invent:
hr.dat is actually trustworthywt.in and the directory layout.wt.in, WT.out, and model files and summarize readiness or issues.Before recommending a wt.in edit, establish:
scripts/make_wanniertools_input.py
Create a conservative wt.in.template for bulk, surface, Fermi-arc, or Wilson-loop workflows.scripts/check_wanniertools_case.py
Check for missing wt.in and wannier90_hr.dat-style dependencies.scripts/summarize_wanniertools_run.py
Summarize a working directory or WT.out using auditable heuristics.scripts/recommend_wanniertools_recovery.py
Turn incomplete or blocked WannierTools runs into concrete recovery guidance.scripts/export_status_report.py
Export a shareable markdown status report from a WannierTools working directory.scripts/export_input_suggestions.py
Export conservative WannierTools input suggestion snippets based on detected recovery patterns.references/wanniertools.mdreferences/model-handoff.mdreferences/failure-modes.mdWhenever you recommend a wt.in change, include: