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How to view vibrational modes?
Posted: Thu May 29, 2008 12:32 am
by vasplover
I need help to view the vibrational modes:
Is there a software which can be used to view the vibrational modes (animation) in OUTCAR? Do I have to extract data from OUTCAR and make a file in a certain form? Thank you!
How to view vibrational modes?
Posted: Thu May 29, 2008 10:01 am
by admin
there is none such visualization software for vasp.
How to view vibrational modes?
Posted: Mon Jun 09, 2008 5:29 pm
by pmignon
Hello,
After a frequency calculation I have been used WxDragon:
http://schmeling.ac.rwth-aachen.de/user ... ragon.html
bye
pierre.
How to view vibrational modes?
Posted: Tue Jun 17, 2008 1:20 am
by gpkmohan
Hi pmignon
i just downloaded the WxDragon 1.4.6 / windows/ un registered version.
there are only 2 files are read by it, 1. EIGENVAL 2.DOSCAR
BUT I COULDNT FIND HOW I CAN VIEW THE MODES.
CAN U TELL IN DETAILS ?
CHEERS
GPK
How to view vibrational modes?
Posted: Mon Jun 23, 2008 4:16 pm
by Amit
Hi Krishna and Pierre,
I also downloaded Wxdragon. There is only two options to read VASP files (EIGENVAL &DOSCAR). Not for POSCAR or CONTCAR, If you found solution, please let me know.
Thanks.
amit
How to view vibrational modes?
Posted: Wed Jul 02, 2008 5:22 pm
by pmignon
Hello,
To view frequencies with wxdragon you open the OUTCAR file. Then in the DISPLAY menu you can find vibration and normally visualize them ... That' how I did in the past.
Pierre.
How to view vibrational modes?
Posted: Thu Jul 03, 2008 3:02 pm
by Amit
Thanks Pierre,
I try same as you suggested but I could not use these options (Trajectory, vibration and orbitals).
Program does not allow to use these.
Please suggest something ..
Regards
amit
How to view vibrational modes?
Posted: Mon Jul 07, 2008 2:59 pm
by pmignon
Dear Amit,
For me It works.
Just contact Directly the wxdragon Admin.
Regards,
Pierre.
Re: How to view vibrational modes?
Posted: Tue Apr 25, 2023 11:59 am
by i.tezsevin
Dear all,
It has been some time since the last response. Is there any software currently that can be used to visualize vibrational frequencies? Apparently wxdragon website is not active anymore.
Best regards,
Ilker
Re: How to view vibrational modes?
Posted: Wed Apr 26, 2023 3:31 pm
by itezsevin
For the ones who need wxdragon, here is the new working link (as a part of LOBSTER package):
http://schmeling.ac.rwth-aachen.de/cohp ... p?menuID=6
Re: How to view vibrational modes?
Posted: Thu Oct 31, 2024 2:32 pm
by ramon_bergua
i.tezsevin wrote: ↑Tue Apr 25, 2023 11:59 am
Dear all,
It has been some time since the last response. Is there any software currently that can be used to visualize vibrational frequencies? Apparently wxdragon website is not active anymore.
I have tried using wxDragon but it seems that OUTCAR from VASP 6.. version is not readable by wxDragon. Still couldn't find any program to visualize vibrational modes of my frequency calculation.
Re: How to view vibrational modes?
Posted: Thu Oct 31, 2024 3:08 pm
by christopher_sheldon1
Hi Ramon,
For visualising vibrational modes, I normally use Jmol. This can open an OUTCAR file and then you can select the relevant vibrational mode to be viewed.
Best,
Chris