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Wannier90 Tight-Binding
Wannier90 skill for maximally localized Wannier functions and tight-binding model construction
instructions.md
--- name: wannier90-tight-binding-611d3275d48a description: Wannier90 skill for maximally localized Wannier functions and tight-binding model construction allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: physics domain: science category: condensed-matter phase: 6 graph: domains: [domain:physics] skillAreas: [skill-area:physics-simulation, skill-area:statistical-analysis, skill-area:mathematical-reasoning] workflows: [workflow:experiment-design, workflow:peer-review-cycle] roles: [role:research-scientist, role:computational-scientist] --- # 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--- name: wannier90-tight-binding-611d3275d48a description: Wannier90 skill for maximally localized Wannier functions and tight-binding model construction allowed-tools: - Bash - Read - Write - Edit - Glob - Grep metadata: specialization: physics domain: science category: condensed-matter phase: 6 graph: domains: [domain:physics] skillAreas: [skill-area:physics-simulation, skill-area:statistical-analysis, skill-area:mathematical-reasoning] workflows: [workflow:experiment-design, workflow:peer-review-cycle] roles: [role:research-scientist, role:computational-scientist] --- # 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
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Imported from the listed AgentSkill.sh category. Complete supplied package files and notices are retained. Required external tools and credentials are not installed. No bundled code was executed during import. Individual agent task behavior has not been tested.