ReddRadar
Agent skill
wannier90-tight-binding
Wannier90 skill for maximally localized Wannier functions and tight-binding model construction
Install this agent skill to your Project
npx add-skill https://github.com/a5c-ai/babysitter/tree/main/library/specializations/domains/science/physics/skills/wannier90-tight-binding
Metadata
Additional technical details for this skill
- phase
- 6
- domain
- science
- category
- condensed-matter
- specialization
- physics
SKILL.md
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
- 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
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