[Pw_forum] Error in output file

[lan haiping]

Hi, Dimpy!
It is clear that you have done some typos in your input file for atomic
postions as the error information indicates.   Therefore, You should check
your file again , to find whether your atoms are consistent with ' nat' you
set  for .  And without your input , no body can help .

regards
On Tue, Aug 11, 2009 at 4:44 PM, Dimpy Sharma <dimpy.sharma at tyndall.ie>wrote:

>
> Hi Quantum espresso users,
>
> I have tried to set up calculation in quantum espresso , however in the
> output file, it is showing as
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from read_cards : error #         1
>      wrong number of columns in ATOMIC_POSITIONS
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> I have given the coordinates directly from my structure as I got in
> Material studio, Can anybody please help me?
>
> Dimpy
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090811/8bb22a96/attachment.html>