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

[Timrov Iurii]

Dear Yohei,


There is a very nice visualization tool for phonons on the Materials Cloud:

https://www.materialscloud.org/work/tools/interactivephonon


Greetings,

Iurii


--
Dr. Iurii Timrov
Postdoctoral Researcher
STI - IMX - THEOS and NCCR - MARVEL
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Yohei Uemura <yohei.uemura at gmail.com>
Sent: Monday, September 30, 2019 3:59:50 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] visualising vibrations from the results of phonon calculations

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
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