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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Vydané v:	Computer physics communications Ročník 185; číslo 8; s. 2309 - 2310
Hlavní autori:	Mostofi, Arash A., Yates, Jonathan R., Pizzi, Giovanni, Lee, Young-Su, Souza, Ivo, Vanderbilt, David, Marzari, Nicola
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Elsevier B.V 01.08.2014
Predmet:	Density-functional theory Electronic structure Maximally-localised Wannier function Density-functional theory Electronic structure Maximally-localised Wannier function
ISSN:	0010-4655, 1879-2944
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