Vasp transition state theory tools
2 posts • Page 1 of 1
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?