Construction of maximally-localized Wannier functions using crystal symmetry

DOI10.1016/J.CPC.2022.108645OpenAlexW4313530560MaRDI QIDQ2692423

Takashi Koretsune

Publication date: 21 March 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2022.108645

zbMATH Keywords

symmetrydensity functional theoryWannier functions

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX) Quantum theory (81-XX)

Related Items (2)

symWannier ⋮ PYATB: an efficient python package for electronic structure calculations using ab initio tight-binding model

Uses Software

• Unnamed Item
• Quantum Espresso
• WannSymm

Cites Work

• An updated version of wannier90: a tool for obtaining maximally-localised Wannier functions
• Wannier90: A tool for obtaining maximally-localised Wannier functions
• WannSymm: a symmetry analysis code for Wannier orbitals

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