variational NEB
Posted: Tue May 22, 2007 12:00 am
Hello there,
I wonder if we can run variational NEB using the VTST codes.
or do we need other module to be compiled with VASP?
Also if I set SPRING=5 instead of -5, will the resutls be different?
I saw in Josson's website that the sign does not matter if we perform VNEB.
thanks,
I wonder if we can run variational NEB using the VTST codes.
or do we need other module to be compiled with VASP?
Also if I set SPRING=5 instead of -5, will the resutls be different?
I saw in Josson's website that the sign does not matter if we perform VNEB.
thanks,