How to view vibrational modes?

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vasplover · #1 Post by **vasplover** » Thu May 29, 2008 12:32 am

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!

#2 Post by **admin** » Thu May 29, 2008 10:01 am

there is none such visualization software for vasp.

pmignon · #3 Post by **pmignon** » Mon Jun 09, 2008 5:29 pm

Hello,
After a frequency calculation I have been used WxDragon:
http://schmeling.ac.rwth-aachen.de/user ... ragon.html

bye
pierre.

gpkmohan · #4 Post by **gpkmohan** » Tue Jun 17, 2008 1:20 am

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

Amit · #5 Post by **Amit** » Mon Jun 23, 2008 4:16 pm

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

pmignon · #6 Post by **pmignon** » Wed Jul 02, 2008 5:22 pm

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.

Amit · #7 Post by **Amit** » Thu Jul 03, 2008 3:02 pm

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

pmignon · #8 Post by **pmignon** » Mon Jul 07, 2008 2:59 pm

Dear Amit,

For me It works.
Just contact Directly the wxdragon Admin.

Regards,
Pierre.

i.tezsevin · #9 Post by **i.tezsevin** » 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.

Best regards,

Ilker

itezsevin · #10 Post by **itezsevin** » Wed Apr 26, 2023 3:31 pm

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

ramon_bergua · #11 Post by **ramon_bergua** » Thu Oct 31, 2024 2:32 pm

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.

#12 Post by **christopher_sheldon1** » Thu Oct 31, 2024 3:08 pm

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

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