Journal article

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

Abstract:: 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 matrices that describe rotations of the Bloch bands at each k-point. As a result, wannier90 is independent of the basis set used in the underlying calculation to obtain the Bloch states. Therefore, i...
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APA Style

Mostofi, A., Yates, J. R., Pizzi, G., Lee, Y., Souza, I., Vanderbilt, D., & Marzari, N. (2014). An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions. COMPUTER PHYSICS COMMUNICATIONS, 185(8), 2309–2310.

MLA Style

Mostofi, A, et al. “An Updated Version of wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions.” COMPUTER PHYSICS COMMUNICATIONS, vol. 185, no. 8, 2014, pp. 2309–10.

Chicago Style

Mostofi, A, JR Yates, G Pizzi, et al. 2014. “An Updated Version of wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions.” COMPUTER PHYSICS COMMUNICATIONS 185 (8): 2309–10.
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Publisher copy:: 10.1016/j.cpc.2014.05.003

Authors

+ Mostofi, A More by this author

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+ Yates, JR More by this author

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+ Pizzi, G More by this author

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+ Lee, Y More by this author

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+ Souza, I More by this author

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Journal:: COMPUTER PHYSICS COMMUNICATIONS More from this journal
Volume:: 185
Issue:: 8
Pages:: 2309-2310
Publication date:: 2014-08-01
DOI:: 10.1016/j.cpc.2014.05.003
ISSN:: 0010-4655

Language:: English
Keywords:: Density-functional theory

Electronic structure

Maximally-localised Wannier function
Pubs id:: pubs:466732
UUID:: uuid:edefbfb9-b3cd-49ed-8c49-919e91f8a7a2
Local pid:: pubs:466732
Source identifiers:: 466732
Deposit date:: 2014-06-17
ARK identifier:: ark:/29072/ora_edefbfb9b3cd49ed8c49919e91f8a7a2

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Copyright date:: 2014

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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