[CP2K:5648] Phonon Calculations

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Sep 16 18:35:16 CEST 2014


Correct 
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Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Sam J 
Sent by: cp... at googlegroups.com
Date: 09/16/2014 06:05PM
Subject: Re: [CP2K:5648] Phonon Calculations

Hi Jeurg,

Thanks for your prompt reponse. So I'm correct in saying it's possible to run vibrational analysis at the Gamma point, but it's not possible to produce phonon spectra?

All the best,
Sam
  
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