openeuler/wannier_tools repository overview

⁠Quick reference

• The official WannierTools docker image.
• Maintained by: openEuler CloudNative SIG⁠.
• Where to get help: openEuler CloudNative SIG⁠, openEuler⁠.

⁠WannierTools | openEuler

WannierTools is an open-source software package for investigation of novel topological materials. It works in the tight-binding framework, which can be generated by the software package Wannier90. WannierTools 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 scanning tunneling microscopy (STM) experiments. WannierTools provides:

• Wilson loop calculation for topological phase classification.
• Surface state spectrum calculation for ARPES and STM comparison.
• Identification of Weyl/Dirac points and nodal line structures.
• Berry phase and Berry curvature calculation in the Brillouin zone.
• Magnetoresistance calculation using Boltzmann transport theory.
• Landau level spectrum calculation with configurable magnetic field.
• Band unfolding from supercell calculations. Learn more at WannierTools⁠.

⁠Supported tags and respective Dockerfile links

The tag of each WannierTools docker image is consist of the version of WannierTools and the version of basic image. The details are as follows:

⁠Usage

• Ensure that you have Docker installed, or are using Docker for Linux containers if on Windows.
• Obtain the WannierTools docker image, Pull the pre-built Docker image from DockerHub: docker pull openeuler/wannier_tools:{Tag}
• Run the Docker container to launch the WannierTools environment: docker run -it openeuler/wannier_tools:{Tag}
• Verify the installation inside the container: which wt.x

⁠Question and answering

If you have any questions or want to use some special features, please submit an issue or a pull request on openeuler-docker-images⁠.