[Pw_forum] problem with uspp2upf tools

[shruba at gmail.com]

Thanks Paolo,
 I tried that option also,
 I cleaned the old files , and did everything in same machine but still that
is not working, In the Vanderbilt code I am getting another file "
filename.out"  do i need to convert those instead of uspp,
or Can i use any other pseudopotential format instead of UPF in pwscf?

Regards
       shruba

On 6/24/07, Paolo Giannozzi <giannozz at nest.sns.it> wrote:
>
>
> On Jun 24, 2007, at 19:37 , shruba at gmail.com wrote:
>
> > I tried couple other  uspp files also but getting same problem,
> > I noticed the uspp files I am using is binary files. is it creating
> > problem.
>
> binary files produced on one machine are readable on another machine
> if and only if:
> - they use the same representation of numbers (most machines do)
> - they use the same "big-endian" or "little-endian" logic (i.e. most
> significant bits first or last, which is which I don't know and it
> doesn't
> matter as long as they are the same; according to Murphy's law,
> typically they are not the same).
>
> > Can you please suggest me how to solve this problem
>
> do everything on the same machine, or try compiler options to
> instruct the compiler to read the format you have.
>
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>



-- 
shruba gangopadhyay
graduate student
department of chemistry
university of central florida
orlando, FL-32826
'friendship doubles joys and reduces sorrows by half' (Francis Bacon).
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070625/b14692fb/attachment.html>