How to view vibrational modes?
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How to view vibrational modes?
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!
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.
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How to view vibrational modes?
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.
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How to view vibrational modes?
Hello,
After a frequency calculation I have been used WxDragon:
http://schmeling.ac.rwth-aachen.de/user ... ragon.html
bye
pierre.
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.
How to view vibrational modes?
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
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.
How to view vibrational modes?
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
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.
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How to view vibrational modes?
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.
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.
How to view vibrational modes?
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
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.
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How to view vibrational modes?
Dear Amit,
For me It works.
Just contact Directly the wxdragon Admin.
Regards,
Pierre.
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.
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Re: How to view vibrational modes?
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
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?
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
http://schmeling.ac.rwth-aachen.de/cohp ... p?menuID=6
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Re: How to view vibrational modes?
i.tezsevin wrote: ↑Tue Apr 25, 2023 11:59 amDear 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.
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Re: How to view vibrational modes?
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