Search found 1 match
Search found 1 match • Page 1 of 1
- Mon Sep 02, 2019 3:41 am
- Forum: VTSTTools
- Topic: Can the VTST toolkit generate the Raman spectrum of a system?
- Replies: 1
- Views: 4190
Hi To calculate the Raman response you need the derivative of polarizability with respect to the normal mode for all the normal modes for a given system. For this you first need to find the normal modes which can be done using VTST and generate these two files : freq,dat and modes_sqrt_amu.dat. (you...