# Wannier90 Tight Binding

> Wannier90 skill for maximally localized Wannier functions and tight-binding model construction

- Skill: `a5c-ai/wannier90-tight-binding` (Agent Skill)
- Install (CLI): `npx skillmds@latest add a5c-ai/wannier90-tight-binding`
- Raw SKILL.md: https://api.skillmd.com/api/skills/a5c-ai/wannier90-tight-binding/raw
- Safety review: pending (external: skill-scanner PASS, skillspector PASS)
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: AI & ML
- Author: a5c-ai (https://skillmd.com/u/a5c-ai)
- Updated: 2026-09-09
- Page: https://skillmd.com/skills/a5c-ai/wannier90-tight-binding

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# Wannier90 Tight-Binding

## Purpose

Provides expert guidance on Wannier90 for constructing maximally localized Wannier functions and tight-binding models from DFT calculations.

## Capabilities

- Wannierization from DFT
- Band interpolation
- Berry phase calculations
- Topological invariant computation
- Transport property modeling
- Interface with DFT codes (VASP, QE)

## Usage Guidelines

1. **Wannierization**: Set up Wannier90 input from DFT calculations
2. **Disentanglement**: Configure frozen and disentanglement windows
3. **Band Interpolation**: Generate interpolated band structures
4. **Topology**: Calculate Berry phases and topological invariants
5. **Transport**: Interface with transport codes

## Tools/Libraries

- Wannier90
- WannierTools
- Z2Pack