[Q-e-developers] system size

Milinda Samaraweera milinda49 at yahoo.com
Thu Apr 25 20:01:53 CEST 2013


Im a newbie to the package quantum espresso. I was interested on optimizing a system with 792 atoms where atoms types are C,H,N,O. Will this be possible on Quantum espresso, if yes how much memory will it requare.


Milinda Samaraweera
Computational materials chemistry and Computer programming 
University of Connecticut
Department of Chemistry
55 N Eagleville road
unit 3060
Storrs CT
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