Dear all,
I want to evaluate the VACF and frequencies using MD from VASP. I found a post in the VASP forum where the xdat2vdat.pl was recommended to generate the velocities using the XDATCAR.
Is this script not longer available?
Search found 1 match
- Mon Jun 20, 2011 4:06 pm
- Forum: VTSTTools
- Topic: VASP-MD velocities and VACF
- Replies: 21
- Views: 556106