Wannier90 Tight Binding

---
name: wannier90-tight-binding
description: Wannier90 skill for maximally localized Wannier functions and tight-binding model construction
allowed-tools:
  - Bash
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metadata:
  specialization: physics
  domain: science
  category: condensed-matter
  phase: 6
graph:
  domains: [domain:physics]
  skillAreas: [skill-area:physics-simulation, skill-area:statistical-analysis, skill-area:mathematical-reasoning]
  workflows: [workflow:experiment-design, workflow:peer-review-cycle]
  roles: [role:research-scientist, role:computational-scientist]
---

# 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