[Pw_forum] Problem with NEB Images (vers. 4.3.1)

[Paolo Giannozzi]

On Jul 8, 2011, at 19:15 , Vic Bermudez wrote:

> what gets passed to pw_x is a modified structure where some of the
> surface atoms have been switched around.

I guess that the ordering of atoms must be the same in all images.
In your input, the F atom is #1 in the first image, #7 in the last  
image.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222