wannier90-tight-binding

Included with Lifetime

$97 forever

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

General

What this skill does


# 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

Files: 1

Size: 1.1 KB

Complexity: 8/100

Category: General

Source: https://github.com/a5c-ai/babysitter/tree/main/library/specializations/domains/science/physics/skills/wannier90-tight-binding

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