AiiDA Wannier90 plugin

This is a plugin for running Wannier90 calculations on the AiiDA platform.

Please cite:

• Wannier90 as a community code: new features and applications G. Pizzi, V. Vitale, R. Arita, S. Blügel, F. Freimuth, G. Géranton, M. Gibertini, D. Gresch, C. Johnson, T.Koretsune, J. Ibañez-Azpiroz, H. Lee, J. M. Lihm, D. Marchand, A. Marrazzo, Y. Mokrousov, J. I. Mustafa, Y. Nohara, Y. Nomura, L. Paulatto, S. Poncé, T. Ponweiser, J. Qiao, F. Thöle, S. S. Tsirkin, M. Wierzbowska, N. Marzari, D. Vanderbilt, I. Souza, A. A. Mostofi, and J. R. Yates J. Phys. Cond. Matt. 32, 165902 (2020) [Online Journal]

• AiiDA: automated interactive infrastructure and database for computational science G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky, Comp. Mat. Sci. 111, 218-230 (2016) [Journal link] [arXiv link]

Example submission file

• Documentation of the inputs of the aiida-wannier90 plugin
  • use_parameters
  • use_structure
  • use_kpoints
  • use_kpoint_path
  • use_local_input_folder or use_remote_input_folder
  • use_projections
  • use_settings

Reference

• Reference
  • Calculation and Parser classes
  • Helper modules
    • Writing input files
    • Creating OrbitalData instances

Indices and tables

• Index

• Module Index