[Pw_forum] Error in the NEB calculations using QE 4.3

[Paolo Giannozzi]

On Apr 26, 2011, at 12:49 , WANG Wei wrote:

> I have no idea about calculating NEB with QE 4.3.

so why are you using NEB if you have "no idea"?

> I used the following commands to perform NEB calculations, but  
> error occurred
>
> ~/bin/neb.x <neb.in> log.neb

you cannot use this syntax any longer:
http://www.quantum-espresso.org/user_guide/node29.html
Use "~/bin/neb.x -inp neb.in"

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