[Pw_forum] Quantum Espresso and Zeolite

[Mofrad, Amir Mehdi (MU-Student)]

Thank you for your reply.


Best,


Amir M. Mofrad

Graduate Research Assistant

Chemical Engineering Department

University of Missouri

________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Максим Арсентьев <ars21031960 at gmail.com>
Sent: Monday, July 18, 2016 10:57:11 AM
To: PWSCF Forum
Subject: Re: [Pw_forum] Quantum Espresso and Zeolite

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<mailto: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.


Best,


Amir M. Mofrad

Graduate Research Assistant

Chemical Engineering Department

University of Missouri

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--
Best wishes,
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
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