[QE-users] visualising vibrations from the results of phonon calculations

Yohei Uemura yohei.uemura at gmail.com
Mon Sep 30 15:59:50 CEST 2019


Dear users,

I'm new for quantum espresso (phonon.x).
I calculated the vibrations of CO2 or CH4.
I would like to visualise the motion of atoms in CO2 or CH4.

As someone discussed before, XCrysDen did not work to show the motions of
atoms.("[Pw_forum] Phonon axsf does not move in XCrysden")

Does anyone know how to visualise the motions of atoms?
I have the output file from dynmat.x.

Best regards,
Yohei
-- 
================================================
Yohei Uemura (Ph.D)
Affiliation : Paul Scherrer Institut (PSI),
                  Laboratory for Environmental Chemistry (LUC)
Address : OFLB 106 (PSI Ost), PSI, Forschungsstrasse 111,
                 5232 Villigen, Switzerland
Phone: +41 (0)5-6310-4571

上村洋平
所属 : Paul Scherrer Institut (PSI),
          Laboratory for Environmental Chemistry (LUC)
住所 : OFLB 106 (PSI Ost), PSI, Forschungsstrasse 111,
          5232 Villigen, Switzerland
電話 : +41 (0)5-6310-4571
================================================
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190930/90847e25/attachment.html>


More information about the users mailing list