[Pw_forum] Error in the NEB calculations using QE 4.3

[WANG Wei]

Dear Prof. Giannozzi,

I mean that I have no idea about the error methioned above. I do not the
reason for it . Thank you.


On 26 April 2011 21:16, Paolo Giannozzi <giannozz at democritos.it> wrote:

>
> 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.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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-- 
+---------------------------------------------------------+
Vei WANG
Kawazoe's Lab
Institute for Materials Research (IMR),
Tohoku University2-1-1 Katahira, Aoba-ku, Sendai, Japan
Phone: +81-022-215-2057
Fax:   +81-022-215-2052
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