Transition state calculation

Message

zhangjy · #1 Post by **zhangjy** » Fri Mar 10, 2006 7:41 am

I have the same problem with anagaw:
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?2.238

My INCAR is quite simple:

#-----------------------------------
SYSTEM = Elastic Band Method
IMAGE = 1
SPRING = -5
LSCALAPACK = .FALSE.
IBRION = 3
#----------------------------------

I set up 3 sub-directories: 00/.01/ and 02/. Each subdir store a POSCAR.

I also used vasp_mpi to perform parallization caclualtion with 3 CPUs. But the error message is :

running on 3 nodes
distr: one band on 1 nodes, 3 groups
vasp.4.6.21 23Feb03 complex
ERROR: the following files does not exist POSCAR

Almost the same as anagaw.
If I used POSCAR in 00/, vasp can run but not for NEB calcualtion. I do not know what is the problem. Please give me some comments.

Thanks!

konglt · #2 Post by **konglt** » Fri Mar 10, 2006 2:01 pm

IMAGES, not IMAGE.

zhangjy · #3 Post by **zhangjy** » Tue Mar 14, 2006 2:57 am

Thank you very much!