Identifying normal modes without DISPLACECAR

Vasp transition state theory tools

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meb7pz
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Joined: Wed Sep 13, 2017 11:45 pm

Identifying normal modes without DISPLACECAR

Post by meb7pz » Thu Sep 14, 2017 12:35 am

I am attempting to identify which modes are vibrational, translational, or rotational from for a transition state created from a Dimer calculation. I am trying to visualize the modes for each frequency using VMD and have visualized all of the modes in a single movie by creating a *.xyz file using xdat2xyz.pl. I would run dymmodes2xyz.pl, but I do not have a DISPLACECAR for this calculation. Is there a way to create the individual mode *.xyz files I'm looking for so as to identify them?

Thank you

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