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

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

September 27, 2017 | QuanSheng Wu, ShengNan Zhang, Hai-Feng Song, Matthias Troyer, Alexey A. Soluyanov
WannierTools is an open-source software package designed for investigating novel topological materials. It operates within the tight-binding framework, which can be generated by the software Wannier90. The package helps classify the topological phase of materials by calculating Wilson loops and surface state spectra, which are detected by ARPES and STM experiments. It also identifies Weyl/Dirac points and nodal line structures, calculates Berry phases and Berry curvature in the Brillouin zone (BZ). The software is implemented in Fortran 90 and is parallelized with MPI, making it efficient for large-scale computations. The package includes functionalities for calculating topological numbers, surface states, and Berry phases, and can be used to study the electronic properties of slab and ribbon systems. An example of its application is provided for the material HfPtGe, demonstrating how to use WannierTools to explore its topological properties.WannierTools is an open-source software package designed for investigating novel topological materials. It operates within the tight-binding framework, which can be generated by the software Wannier90. The package helps classify the topological phase of materials by calculating Wilson loops and surface state spectra, which are detected by ARPES and STM experiments. It also identifies Weyl/Dirac points and nodal line structures, calculates Berry phases and Berry curvature in the Brillouin zone (BZ). The software is implemented in Fortran 90 and is parallelized with MPI, making it efficient for large-scale computations. The package includes functionalities for calculating topological numbers, surface states, and Berry phases, and can be used to study the electronic properties of slab and ribbon systems. An example of its application is provided for the material HfPtGe, demonstrating how to use WannierTools to explore its topological properties.
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[slides and audio] WannierTools%3A An open-source software package for novel topological materials