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Ivo Souza
Researcher at Ikerbasque
Publications - 66
Citations - 12402
Ivo Souza is an academic researcher from Ikerbasque. The author has contributed to research in topics: Wannier function & Hall effect. The author has an hindex of 32, co-authored 66 publications receiving 9139 citations. Previous affiliations of Ivo Souza include University of California, Berkeley & University of Illinois at Urbana–Champaign.
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wannier90: A tool for obtaining maximally-localised Wannier functions ✩
Arash A. Mostofi,Jonathan R. Yates,Jonathan R. Yates,Young-Su Lee,Ivo Souza,Ivo Souza,David Vanderbilt,Nicola Marzari +7 more
TL;DR: Wannier90 is a program for calculating maximally-localised Wannier functions (MLWF) from a set of Bloch energy bands that may or may not be attached to or mixed with other bands, and is able to output MLWF for visualisation and other post-processing purposes.
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Maximally-localized Wannier Functions: Theory and Applications
TL;DR: In this paper, the authors present a survey of the use of Wannier functions in the context of electronic-structure theory, including their applications in analyzing the nature of chemical bonding, or as a local probe of phenomena related to electric polarization and orbital magnetization.
Journal ArticleDOI
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
Arash A. Mostofi,Jonathan R. Yates,Giovanni Pizzi,Young-Su Lee,Ivo Souza,David Vanderbilt,Nicola Marzari +6 more
TL;DR: An updated version of wannier90 is presented, wannIER90 2.0, including minor bug fixes and parallel (MPI) execution for band-structure interpolation and the calculation of properties such as density of states, Berry curvature and orbital magnetisation.
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Maximally localized Wannier functions for entangled energy bands
TL;DR: This work presents a method for obtaining well-localized Wannier-like functions (WF's) for energy bands that are attached to or mixed with other bands, and finds WF's which are centered at the tetrahedral-interstitial sites, suggesting an alternative tight-binding parametrization.
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Wannier90 as a community code: new features and applications.
Giovanni Pizzi,Valerio Vitale,Valerio Vitale,Ryotaro Arita,Stefan Blügel,Frank Freimuth,Guillaume Géranton,Marco Gibertini,Marco Gibertini,Dominik Gresch,Charles Johnson,Takashi Koretsune,Takashi Koretsune,Julen Ibañez-Azpiroz,Hyungjun Lee,Hyungjun Lee,Jae-Mo Lihm,Daniel Marchand,Antimo Marrazzo,Yuriy Mokrousov,Jamal I. Mustafa,Yoshiro Nohara,Yusuke Nomura,Lorenzo Paulatto,Samuel Poncé,Thomas Ponweiser,Junfeng Qiao,Florian Thöle,Stepan S. Tsirkin,Stepan S. Tsirkin,Małgorzata Wierzbowska,Nicola Marzari,David Vanderbilt,Ivo Souza,Ivo Souza,Arash A. Mostofi,Jonathan R. Yates +36 more
TL;DR: Wannier90 as mentioned in this paper is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states, which is interfaced to many widely used electronic-structure codes thanks to its independence from the basis sets representing these BLoch states.