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BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis

Main Author: CPC, Mendeley
Other Authors: Pizzi, Giovanni, Volja, Dmitri, Kozinsky, Boris, Fornari, Marco, Marzari, Nicola
Format: Dataset
Terbitan: Mendeley , 2014
Subjects:
Surface Science
Condensed Matter Physics
Computational Physics
Online Access: https:/data.mendeley.com/datasets/7fwv4rrcff
ctrlnum 0.17632-7fwv4rrcff.1
fullrecord <?xml version="1.0"?> <dc><creator>CPC, Mendeley</creator><title>BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis </title><publisher>Mendeley</publisher><description>Abstract We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite system are solved in the constant relaxation-time approximation and band energies and band derivatives are obtained via Wannier interpolations. Thanks to the exponential localization of the Wannier functions obtained, very high accuracy in the Brillouin zone i... Title of program: BoltzWann Catalogue Id: AEQX_v1_0 Nature of problem Obtain electronic and thermoelectric transport properties for crystals. Versions of this program held in the CPC repository in Mendeley Data AEQX_v1_0; BoltzWann; 10.1016/j.cpc.2013.09.015 AEQX_v2_0; BoltzWann; 10.1016/j.cpc.2014.05.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)</description><subject>Surface Science</subject><subject>Condensed Matter Physics</subject><subject>Computational Physics</subject><contributor>Pizzi, Giovanni</contributor><contributor>Volja, Dmitri</contributor><contributor>Kozinsky, Boris</contributor><contributor>Fornari, Marco</contributor><contributor>Marzari, Nicola</contributor><type>Other:Dataset</type><identifier>10.17632/7fwv4rrcff.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/7fwv4rrcff</relation><date>2014-01-01T12:00:00Z</date><recordID>0.17632-7fwv4rrcff.1</recordID></dc>
format Other:Dataset
Other
author CPC, Mendeley
author2 Pizzi, Giovanni
Volja, Dmitri
Kozinsky, Boris
Fornari, Marco
Marzari, Nicola
title BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis
publisher Mendeley
publishDate 2014
topic Surface Science
Condensed Matter Physics
Computational Physics
url https:/data.mendeley.com/datasets/7fwv4rrcff
contents Abstract We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite system are solved in the constant relaxation-time approximation and band energies and band derivatives are obtained via Wannier interpolations. Thanks to the exponential localization of the Wannier functions obtained, very high accuracy in the Brillouin zone i... Title of program: BoltzWann Catalogue Id: AEQX_v1_0 Nature of problem Obtain electronic and thermoelectric transport properties for crystals. Versions of this program held in the CPC repository in Mendeley Data AEQX_v1_0; BoltzWann; 10.1016/j.cpc.2013.09.015 AEQX_v2_0; BoltzWann; 10.1016/j.cpc.2014.05.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
id IOS7969.0.17632-7fwv4rrcff.1
institution Universitas Islam Indragiri
affiliation onesearch.perpusnas.go.id
institution_id 804
institution_type library:university
library
library Teknologi Pangan UNISI
library_id 2816
collection Artikel mulono
repository_id 7969
city INDRAGIRI HILIR
province RIAU
shared_to_ipusnas_str 1
repoId IOS7969
first_indexed 2020-04-08T08:22:59Z
last_indexed 2020-04-08T08:22:59Z
recordtype dc
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