An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

wannier90  is a program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands. The formalism works by minimising the total spread of the MLWFs in real space. This is done in the space of unitary mat...

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Bibliographic Details

Published in:	Computer physics communications Vol. 185; no. 8; pp. 2309 - 2310
Main Authors:	Mostofi, Arash A., Yates, Jonathan R., Pizzi, Giovanni, Lee, Young-Su, Souza, Ivo, Vanderbilt, David, Marzari, Nicola
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.08.2014
Subjects:	Density-functional theory Electronic structure Maximally-localised Wannier function Density-functional theory Electronic structure Maximally-localised Wannier function
ISSN:	0010-4655, 1879-2944
Online Access:	Get full text
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