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Transition state calculation

Posted: Fri Mar 10, 2006 7:41 am
by zhangjy
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!

Transition state calculation

Posted: Fri Mar 10, 2006 2:01 pm
by konglt
IMAGES, not IMAGE.

Transition state calculation

Posted: Tue Mar 14, 2006 2:57 am
by zhangjy
Thank you very much!