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How to know about vibrational modes

Posted: Fri Apr 15, 2011 1:42 am
by kambiz
Hi dear all,

After finding vibrational frequencies using VASP, how is it possible to know that which frequency is for which vibrational modes (i.e. Scissoring, stretching, ...)?


Does VASP create a trajectory file for vibrations???

Thanks

How to know about vibrational modes

Posted: Fri Apr 15, 2011 7:35 pm
by ezaztaw
I found these two websites useful in this regard.

http://www.mpie.de/index.php?id=sxlib

http://phonopy.sourceforge.net/

How to know about vibrational modes

Posted: Fri Apr 15, 2011 7:42 pm
by ezaztaw
I found these two websites useful in this regard.

http://www.mpie.de/index.php?id=sxlib

http://phonopy.sourceforge.net/

How to know about vibrational modes

Posted: Tue Apr 19, 2011 1:20 am
by kambiz
Thank you for your links,'

Kambiz