[Pw_forum] one question

[Giovanni Cantele]

> On 10 May 2016, at 12:32, Altaf Ur Rahman <altafqau1 at gmail.com> 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
> Pw_forum at pwscf.org
> 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: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160510/67079218/attachment.html>