[Pw_forum] problem in xspectra calculations

[Niharika Joshi]

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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