[CP2K:5646] Phonon Calculations

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Sep 16 09:15:07 UTC 2014


you can do phonon calculations (vibrational analysis) at the
Gamma point.


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

-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Sam J 
Sent by: cp... at googlegroups.com
Date: 09/15/2014 06:15PM
Subject: [CP2K:5646] Phonon Calculations

Hi all,

A quick question - Is it possible to run Phonon Calculations in cp2k? I've scoured the manual and the internet with no success, but I've head that other people have managed to do it...

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