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

[Nicola Marzari]

Dear Yohei,

Nicola Colonna, here in cc, is a MARVEL researcher at PSI; one of the 
goals is also to help experimental colleagues there - since he is a 
Quantum ESPRESSO expert, you'd be wlelcome to get in touch with him.

Re the visualization of phonons, indeed the materials cloud work tool,
as suggested, would be the one to use.

			nicola



On 30/09/2019 15:59, Yohei Uemura wrote:
> 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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-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project