> On 10 May 2016, at 12:32, Altaf Ur Rahman <[email protected]> wrote: > > Hello every one > > I want to find thermoelectric properties using Quantum Espresso 5.3.0. How > to do it? > > Thanks in advance > > Regards > Altaf Ur Rahman > PhD Student > Computational Condensed Matter Physics > Quaid-i-Azam University Islamabad > Pakistan > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
have a look to this paper: G. Pizzi, D. Volja, B. Kozinsky, M. Fornari, and N. Marzari, BoltzWann: A code for the evaluation of thermoelectric and electronic transport properties with a maximally-localized Wannier functions basis, Comp. Phys. Comm. 185, 422 (2014), DOI:10.1016/j.cpc.2013.09.015. The code is included into the Wannier90 package, that is interfaced with Quantum-Espresso and is freely available at www.wannier.org <http://www.wannier90.org/> Giovanni -- Giovanni Cantele, PhD CNR-SPIN c/o Dipartimento di Fisica Universita' di Napoli "Federico II" Complesso Universitario M. S. Angelo - Ed. 6 Via Cintia, I-80126, Napoli, Italy e-mail: [email protected] Phone: +39 081 676910 Skype contact: giocan74 ResearcherID: http://www.researcherid.com/rid/A-1951-2009 Web page: http://people.na.infn.it/~cantele
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