[Pw_forum] Calculation of Physical quantity using pw.x executable.

sapna bondwal sapna.9305bondwal at gmail.com
Mon Aug 10 07:49:30 CEST 2015


Dear all,

I want someone to give me the gist of all properties that can be calculated
 and all physical quantities that can be obtained by using pw.x executable.
I am interested in nanosystems. I have seen supercell approach written in
every paper but I want to make it clear what it actually is? How do we use
it for doing structural optimization of nanosystem? I expect some simple
examples which can clarify the basic approach.
-- 

Sapna Bondwal
Research Scholar
IIT ROORKEE
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150810/a6c5efdc/attachment.html>


More information about the users mailing list