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

Published: 01-12-2017| Version 1 | DOI: 10.17632/ygsmh4hyh6.1
QuanSheng Wu,
ShengNan Zhang,
Hai-Feng Song,
Matthias Troyer,
Alexey A. Soluyanov


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 (Mostofi et al., 2008). It can help to classify the topological phase of a given material 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 (BZ).