Get started

We show below a number of tutorials for using the automated Wannierisation workflows.

Note: these tutorials assume you already installed AiiDA and properly configured AiiDA and configured one Quantum ESPRESSO code. You can check the main AiiDA-core documentation for more information on how to perform these steps.

• Automated high-throughput Wannierisation
  • Preparation
  • Introduction
  • Running the workflow
  • Analyzing the outputs of the workflow
  • Analyzing and comparing the band structure
  • Analyzing the projectabilities
  • Analyzing the provenance graph
  • (Optional) Maximal localisation and SCDM
  • (Optional) Browse your database with the REST API
  • (Optional) More on AiiDA