Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)
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Updated
Nov 8, 2026 - Fortran
Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)
WannierTools: An open-source software package for novel topological materials. Full documentation:
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
a python package for computing magnetic interaction parameters
This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Saito.
A package for tight-binding model of magnetic and non-magnetic materials
A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
Python modules for electron–phonon models
WannierBSE-MATLAB is a high-performance computational suite engineered for solving the Bethe-Salpeter Equation (BSE) within the Wannier Tight-Binding (WTB) framework, specialized for 2D materials.
Converts the VASP WAVECAR to UNK files for wannier90.
StraWBerryPy (Single-poinT and local invaRiAnts for Wannier Berriologies in Python) is a Python package to calculate topological invariants and quantum-geometrical quantities in non-crystalline topological insulators
An interface for ELK-Wannier90 calculations
A library of Python modules for reading/writing and manipulating data associated with the wannier90 code
Wannier-Compass is an AI-driven DFT-to-Wannier workflow (Automatic wannier) for automated orbital basis and window selection, Hamiltonian construction, validation and refinement. VASP → Wannier90 · MCP / Skill / CLI.
An open-source C++ software for efficient nanoscale quantum transport simulations
A tool to calculate Wannier Orbital Overlap Population (WOOP).
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