[Pw_forum] PWneb reads coordinates of images incorrectly

naseem naseem91 at gmail.com
Mon Jun 27 20:58:35 CEST 2016


Dear Paolo Giannozzi

*here is my input file and out put. the program reads from input and write
the coordinates in output before starting any calculations. *
*But the coordinates in output  are all different.*

*Thank you for your help.*

*Naseem*

Naseem Ud Din
Graduate Student
University of Central Florida
Orlando USA
Cell # +1-407-683-3016

On Mon, Jun 27, 2016 at 1:34 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Please support your claim with some data, such as e.g. input and output
> files
>
> Paolo
>
> On Mon, Jun 27, 2016 at 6:32 PM, naseem <naseem91 at gmail.com> wrote:
> > Dear All
> >
> > I am trying to calculate reaction barrier using neb. The program doesn't
> > read the coordinates correctly for intermediate image. It reads correctly
> > the coordinates of initial and final image.
> >
> > Any help is really appreciated.
> >
> > thanks
> >
> > Naseem Ud Din
> > Graduate Student
> > University of Central Florida
> > Orlando USA
> > Cell # +1-407-683-3016
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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