[Pw_forum] i-v characteristics

Karim Elgammal egkarim at gmail.com
Wed Nov 25 09:29:46 CET 2015


I believe that pwcond code in espresso, can do the job.
I myself, wants to do the same for graphene properly as well.
you can check the documentation here, it is based on Landauer-Buttiker
formula: http://iramis.cea.fr/Pisp/alexander.smogunov/PWCOND/pwcond.html
and here is the input file parameters:
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PWCOND.html

Karim Elgammal
PhD student
Materials- and Nanophysics
KTH
Sweden
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