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Babysitter wannier90-tight-binding

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

install
source · Clone the upstream repo
git clone https://github.com/a5c-ai/babysitter
Claude Code · Install into ~/.claude/skills/
T=$(mktemp -d) && git clone --depth=1 https://github.com/a5c-ai/babysitter "$T" && mkdir -p ~/.claude/skills && cp -r "$T/library/specializations/domains/science/physics/skills/wannier90-tight-binding" ~/.claude/skills/a5c-ai-babysitter-wannier90-tight-binding && rm -rf "$T"
manifest: library/specializations/domains/science/physics/skills/wannier90-tight-binding/SKILL.md
tags
#wannier90#tight-binding#dft-analysis#condensed-matter#physics
source content

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