Hi all,
Sorry, I could not get any reply, so I am forwarding it. Can some
one give some idea regarding calculation of I-V characteristics
(current-voltage) in quantum espresso.
Thanks & Regards,
Mohan
---------- Forwarded message ----------
From: Mohan maruthi sena <[email protected]>
Date: Thu, Aug 6, 2015 at 6:52 AM
Subject: Calculation of Conductance-quantum espresso
To: PWSCF Forum <[email protected]>
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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