In publications arising from the use of Wannier90 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 (OPEN ACCESS), BibTeX]
If you are using v2.x or earlier, please cite instead:
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
A. A. Mostofi, J. R. Yates, G. Pizzi, Y. S. Lee, I. Souza, D. Vanderbilt, N. Marzari
Comput. Phys. Commun. 185, 2309 (2014) [ONLINE JOURNAL, BibTeX]
If you are using v1.x or earlier, please cite instead:
Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
A. A. Mostofi, J. R. Yates, Y. S. Lee, I. Souza, D. Vanderbilt, N. Marzari
Computer Physics Communications 178, 685 (2008) [ONLINE JOURNAL, OPEN ACCESS, BibTeX]
Other papers introducing MLWFs and their applications
- Wannier-function software ecosystem for materials simulations
A. Marrazzo, S. Beck, E. R. Margine, N. Marzari, A. A. Mostofi, J. Qiao, I. Souza, S. S. Tsirkin, J. R. Yates, G. Pizzi, Rev. Mod. Phys. 96, 045008 (2024) [ONLINE JOURNAL] [OPEN ACCESS] - Maximally localized Wannier functions: Theory and applications
N. Marzari, A. A. Mostofi, J. R. Yates, I. Souza, D. Vanderbilt, Rev. Mod. Phys. 84, 1419 (2012) [ONLINE JOURNAL] [OPEN ACCESS] - Maximally localized generalized Wannier functions for composite energy bands
N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997) [ONLINE JOURNAL] [OPEN ACCESS] - Maximally localized Wannier functions for entangled energy bands
I. Souza, N. Marzari and D. Vanderbilt, Phys. Rev. B 65, 035109 (2002) [ONLINE JOURNAL] [OPEN ACCESS]