[Pw_forum] problem in xspectra calculations

[Ari P Seitsonen]

Dear Niharika Joshi,

   May I suggest that you'll print both values with something like

       WRITE ( 0, '( "DEBUG>>", A, "<<" ) sym
       WRITE ( 0, '( "DEBUG>>", A, "<<" ) trim(adjustl(seuilK_tab(i)%name))

and compare those two lines? Maybe you want to use another channel than 
0.

   Sorry for the simple suggestion, but maybe this will lead to the 
solution of your problem (and you'll learn how to debug such things :).

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Physikalisch-Chemisches Institut der Universitaet Zuerich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Fri, 14 Oct 2011, Niharika Joshi wrote:

> Hello,
> Yes, replacing 'if (sym.eq.seuilK_tab(i)%name) then' by
> 'if(sym.eq.trim(adjustl(seuilK_tab(i)%name)))' in the mygetK.f90 didn't
> work. It still writes in the 'Could not find the element  C in the table of
> K edge energies!' at the end of the output file.
> -Niharika Joshi
> (project student, IISER Pune)
> 
> --- On Fri, 14/10/11, Paolo Giannozzi <giannozz at democritos.it> wrote:
>
>       From: Paolo Giannozzi <giannozz at democritos.it>
>       Subject: Re: [Pw_forum] problem in xspectra calculations
>       To: "PWSCF Forum" <pw_forum at pwscf.org>
>       Date: Friday, 14 October, 2011, 12:24 PM
>
>       On Thu, 2011-10-13 at 12:49 +0530, Niharika Joshi wrote:
>
>       > Replacing the 'if' statement didn't work.
>
>       are sure? really?
>       --
>       Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
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