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

Computer Physics Communications

Volumn 185, Issue 1, 2014, Pages 422-429

  Pizzi, Giovanni ^a   Volja, Dmitri ^b   Kozinsky, Boris ^c   Fornari, Marco ^d   Marzari, Nicola ^a  

^a EPFL   (Switzerland)

^b Massachusetts Institute of Technology   (United States)

^c ROBERT BOSCH GMBH   (Germany)

^d CENTRAL MICHIGAN UNIVERSITY   (United States)

Author keywords

Band interpolation; Band velocities; Maximally localized Wannier functions; Thermoelectric properties; Wannier90

Indexed keywords

ANALYTICAL EXPRESSIONS; BOLTZMANN TRANSPORT EQUATION; COMPUTATIONAL COSTS; ELECTRONIC TRANSPORT PROPERTIES; EXTENDED SYSTEMS; THERMOELECTRIC PROPERTIES; WANNIER FUNCTIONS; WANNIER90;

INTERPOLATION; TRANSPORT PROPERTIES;

FUNCTION EVALUATION;

EID: 84888131898     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2013.09.015     Document Type: Article

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