How to view vibrational modes?

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vasplover

How to view vibrational modes?

#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!
Last edited by vasplover on Thu May 29, 2008 12:32 am, edited 1 time in total.

admin
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How to view vibrational modes?

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

there is none such visualization software for vasp.
Last edited by admin on Thu May 29, 2008 10:01 am, edited 1 time in total.

pmignon
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How to view vibrational modes?

#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.
Last edited by pmignon on Mon Jun 09, 2008 5:29 pm, edited 1 time in total.

gpkmohan

How to view vibrational modes?

#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
Last edited by gpkmohan on Tue Jun 17, 2008 1:20 am, edited 1 time in total.

Amit

How to view vibrational modes?

#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
Last edited by Amit on Mon Jun 23, 2008 4:16 pm, edited 1 time in total.

pmignon
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How to view vibrational modes?

#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.
Last edited by pmignon on Wed Jul 02, 2008 5:22 pm, edited 1 time in total.

Amit

How to view vibrational modes?

#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
Last edited by Amit on Thu Jul 03, 2008 3:02 pm, edited 1 time in total.

pmignon
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How to view vibrational modes?

#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.
Last edited by pmignon on Mon Jul 07, 2008 2:59 pm, edited 1 time in total.

i.tezsevin
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Re: How to view vibrational modes?

#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

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Re: How to view vibrational modes?

#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

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