English

WannierTools: An open-source software package for novel topological materials

Computational Physics 2018-02-05 v2 Mesoscale and Nanoscale Physics

Abstract

We present an open-source software package WannierTools, a tool for investigation of novel topological materials. This code works in the tight-binding framework, which can be generated by another software package Wannier90. It can help to classify the topological phase of given materials by calculating the Wilson loop and can get the surface state spectrum which is detected by angle-resolved photoemission (ARPES) and in scanning tunneling microscopy (STM) experiments. It also identifies positions of Weyl/Dirac points and nodal line structures, calculates the Berry phase around a closed momentum loop and Berry curvature in a part of the Brillouin zone.

Keywords

Cite

@article{arxiv.1703.07789,
  title  = {WannierTools: An open-source software package for novel topological materials},
  author = {QuanSheng Wu and ShengNan Zhang and Hai-Feng Song and Matthias Troyer and Alexey A. Soluyanov},
  journal= {arXiv preprint arXiv:1703.07789},
  year   = {2018}
}

Comments

The supplementary files (WannierTools source and documentation) can be downloaded from https://github.com/quanshengwu/wannier_tools

R2 v1 2026-06-22T18:54:05.657Z