wannier90-tight-binding
// Wannier90 skill for maximally localized Wannier functions and tight-binding model construction
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updated:March 4, 2026
SKILL.mdreadonly
SKILL.md Frontmatter
namewannier90-tight-binding
descriptionWannier90 skill for maximally localized Wannier functions and tight-binding model construction
allowed-toolsBash,Read,Write,Edit,Glob,Grep
metadata[object Object]
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