Wannier90 Tight-Binding

SkillAI & models

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

Instructions available. Your AI can read the instructions. Execution depends on the setup they require.

Account requirements not reviewed. Check the skill instructions before use; ahel provides instructions and does not run this skill.

Add ahel to your AI once: Claude, ChatGPT, Cursor, Claude Code or Codex. Then ask it to use this.

Then ask your AI: use the Wannier90 Tight-Binding skill

What this skill tells your AI

The instructions your AI receives, as published by a5c-ai/babysitter in library/specializations/domains/science/physics/skills/wannier90-tight-binding/SKILL.md and read by ahel’s review.

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

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

Tools/Libraries

Wannier90
WannierTools
Z2Pack

Signals

GitHub stars: 2k
Forks: 112
Last commit: Sep 2026

Advanced

Item type: skill
Key: wannier90-tight-binding
Source: github.com/a5c-ai/babysitter

github.com/a5c-ai/babysitter