[Pw_forum] Calculation of Conductance-quantum espresso

Mohan maruthi sena maruthi.sena at gmail.com
Thu Aug 6 03:22:33 CEST 2015


Hi all,
            I have a very basic question. Can we calculate conductance or
resistance of material using quantum espresso. Can we get I/V
characteristics as function of time in quantum espresso.

I  could find some tutorials regarding conductance, they have used pwcond,x
function. Is pwcond,x funtion is used to calculate conductance. The links
for the tutorial is
http://iramis.cea.fr/Pisp/alexander.smogunov/PWCOND/examples.html. I would
appreciate your help in clarifying above queries. Could some one provides
example regarding these quantities.


Thanks & Regards,
Mohan
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