wannier90-tight-binding

# 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