IRCCAR

The IRCCAR file defines an intrinsic reaction coordinate (IRC), similar to the Intrinsic-reaction-coordinate calculations using IBRION=40 for static calculations. However, this IRC is followed during a biased molecular dynamics (MD) simulation, similar to the Blue moon ensemble method. The Structure of the file is:

N
 a1 b1
 a2 b2 
 a3 b3
 ...
 aN bN

where N is the number of points in the file, a_i is the first basis???, b_i is the second basis.

There is a guide on how to use this tag in the How-to ADD LINK.