Wannier90 as a community code: new features and applications

Pizzi, Giovanni; Vitale, Valerio; Arita, Ryotaro; Blügel, Stefan; Freimuth, Frank; Géranton, Guillaume; Gibertini, Marco; Gresch, Dominik; Johnson, Charles; Koretsune, Takashi; Ibañez-Azpiroz, Julen; Lee, Hyungjun; Lihm, Jae-Mo; Marchand, Daniel; Marrazzo, Antimo; Mokrousov, Yuriy; I Mustafa, Jamal; Nohara, Yoshiro; Nomura, Yusuke; Paulatto, Lorenzo; Poncé, Samuel; Ponweiser, Thomas; Qiao, Junfeng; Thöle, Florian; S Tsirkin, Stepan; Wierzbowska, Małgorzata; Marzari, Nicola; Vanderbilt, David; Souza, Ivo; A Mostofi, Arash; R Yates, Jonathan

doi:10.1088/1361-648x/ab51ff

Public

Wannier90 as a community code: new features and applications

Published in Journal of Physics Condensed Matter • Oct 28, 2019

Authors:

Giovanni Pizzi

Valerio Vitale

Ryotaro Arita

Abstract

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these Bloch states. In the past few years...

Subject

Wannier function

Computer science

Brillouin zone

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