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
