Wannier

Wannier has a lot of useful resources outside of this manual. Peyton considers the 2012 review paper1 by Marzari and Vanderbilt to be the best. However, the initial 19972 and 20013 papers can be a better source for the nitty-gritty details and definitions about isolated versus entangled bands. For completeness I also note that there is a 2008 paper.4 The Wannier90 site also has a user guide as well as tutorials and their solutions.

A Guide to Wannier

    1. N. Marzari, A. A. Mostofi, J. R. Yates, I. Souza, and D. Vanderbilt. “Maximally localized Wannier functions: Theory and applications,” Reviews of Modern Physics 84(4), 1419–1475 (2012). DOI ↩

    2. N. Marzari, and D. Vanderbilt. “Maximally localized generalized Wannier functions for composite energy bands,” Physical Review B 56(20), 12847–12865 (1997). DOI ↩

    3. I. Souza, N. Marzari, and D. Vanderbilt. “Maximally localized Wannier functions for entangled energy bands,” Physical Review B 65(3), 035109 (2001). DOI ↩

    4. A. A. Mostofi, J. R. Yates, Y. Lee, I. Souza, D. Vanderbilt, and N. Marzari. “wannier90: A tool for obtaining maximally-localised Wannier functions,” Computer Physics Communications 178(9), 685–699 (2008). DOI ↩

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