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Wannier90

  • Openness:3 ★★★
  • Document quality:3 ★★★

A program for obtaining maximally localized Wannier functions (MLWFs) from the results of first-principles calculation applications. It supports Quantum ESPRESSO, ABINIT, SIESTA, FLEUR, Wien2k, and VASP. The package also includes tools for evaluating physical properties such as electronic transport and thermoelectric characteristics (via BoltzWann), as well as Berry phases.

Information
Last Update:2025/10/01

Official site

http://www.wannier.org/

License

GNU General Public License version 2 (GPL-2.0)

Related App
Document

A. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt, N. Marzari, Comput. Phys. Commun. 178, 685 (2008).
Giovanni Pizzi et al., J. Phys.: Condens. Matter 32, 165902 (2020).
[BoltzWann] Giovanni Pizzi, Dmitri Volja, Boris Kozinsky, Marco Fornari, Nicola Marzari, Comput. Phys. Commun. 185, 422 (2022).
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