[Pw_forum] problem in xspectra calculations

[Paolo Giannozzi]

On Wed, 2011-09-28 at 18:29 +0530, Niharika Joshi wrote:

> 'Could not find the element  C in the table of K edge energies!'

it should be a compiler weirdness. Try to replace in xspectra.f90
  e_1s=mygetK(upf(xiabs)%psd))
with
  e_1s=mygetK(trim(adjustl(upf(xiabs)%psd)))
P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy