Question about CI-NEB
Posted: Fri May 21, 2010 3:35 pm
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.
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.