Hi folks, I am a newbie to VASP and I am trying out some NEB calculations.
I am using a VASP that is owned by my institute and I can only access the binary but not the source files. I want to find out whether the version of VASP I am using has the improved NEB. I used the following lines for my calculations and it runs okay without any complaint about the "LCLIMB" flag:
# cNEB parameters
ICHAIN = 0
IMAGES = 2
SPRING = -5.0
LCLIMB = .TRUE.
LTANGENTOLD = .FALSE.
LDNEB = .FALSE.
Does that mean the VASP is using the improved NEB? The OUTCAR does not seem to give much information at all.
Thanks a lot.
Question about CI-NEB
Moderator: moderators
Re: Question about CI-NEB
You can grep for VTST in the OUTCAR to see if our code has been compiled into the binary. If you see something like:
VTST: version 2.03d, (02/18/09)
than it has; otherwise, not.
VTST: version 2.03d, (02/18/09)
than it has; otherwise, not.