Official repository of the Wannier90 code
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Apr 30, 2025 - Fortran
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wannier-functions
Here are 10 public repositories matching this topic...
A playground for Wannier functions
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May 19, 2025 - Julia
A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.
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May 28, 2025 - Python
BinPo: A code for electronic properties of 2D electron systems
python physics band-structure tight-binding condensed-matter spin-orbit-coupling fermi-surface wannier-functions two-dimensional-electron-systems schrodinger-poisson-equations rashba-effect complex-oxides strontium-titanate
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Sep 1, 2022 - Python
(S)olid (s)tate (T)ask (C)onstructor: A high-perfomance computing oriented library to create integration and sampling tasks in the BZ of a crystal for k-dependent functions.
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Feb 6, 2024 - Fortran
The data of Wannier function centre, spread and atomic coordinates are extracted from the output files processed by wannier90 and analyzed
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Apr 7, 2025 - Python
loss optimization under unitary constraint
machine-learning quantum-chemistry optimization-methods materials-science optimization-algorithms loss-functions wannier-functions
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Nov 26, 2024 - Julia
Implementation of ELF with wannier functions
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Jan 24, 2025 - Python
Python tool to recenter polaron real-space distributions (wavefunctions/densities) in XSF files, particularly those generated from ab initio calculations using EPW. Fixes periodic boundary condition (PBC) wrapping artifacts for visualization by applying a circular shift (NumPy) to the DATAGRID_3D block.
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May 5, 2025 - Python
A plugin for running Wannier90 calculations inside the AiiDAlab Quantum ESPRESSO App.
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Apr 9, 2025 - Python
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