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Wannier_tools is a set of tools based on the Wannier tight binding model, generated by software Wannier90.

Installation

(a) Check out the repository by " git clone https://github.com/quanshengwu/wannier_tools.git" or download the zip file.

(b) cd wannier_tools/soc directory, Edit Makefile, Change the blas library " libs= " to your mkl library, you can use your own blas and lapack library. Then type make. The executive binary is copied to directory wannier_tools/bin. Comment: Now, I have only tested it with mpif90 compiled by ifort and icc.

(c) add the wannier_tools/bin path to your PATH by "export PATH=yourdirecory/wannier_tools/bin:$PATH"

Features

• Bulk band structure and density of state(DOS)
• Band structure of 2D slab system for any surface termination
• Band structure of 1D wire/ribbon system for any surface terminations
• Surface spectrum A(k,w) for 2D semi-infinite slabs with any surface termination
• surface spectrum A(k1, k2, w=E0) for 2D semi-infinite slabs at fixed Fermi energy
• Spin texture for 2D semi-infinite slabs
• Wannier charge center or Wilson loop at any k plane in 3D Brillouin Zone
• Berry curvature in any k plane in 3D Brillouin Zone
• Berry phase in any k path in 3D Brillouin Zone
• Landau level or Hofstadter butterfly spectrum
• Check the Weyl point by calculating band gap in any k plane in 3D Brillouin Zone
• Calculate mirror Chern number for any mirror invariant plane