[Pw_forum] Quantum Espresso and Zeolite
ars21031960 at gmail.com
Mon Jul 18 18:57:11 CEST 2016
As far as i know most of zeolites have big cell, so it is better use faster
codes like SIESTA, or dftb++, any tight-binding code will suit as well.
2016-07-18 19:40 GMT+04:00 Mofrad, Amir Mehdi (MU-Student) <
amzf5 at mail.missouri.edu>:
> Dear all,
> I was wondering if anyone has ever done simulations on zeolites using
> Quantum Espresso so I can get help from them.
> Amir M. Mofrad
> Graduate Research Assistant
> Chemical Engineering Department
> University of Missouri
> Pw_forum mailing list
> Pw_forum at pwscf.org
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
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