[Wien] Set up of broadening by Telnes
David Holec
dh331 at cam.ac.uk
Thu Aug 9 12:01:04 CEST 2007
Dear Wien2k users,
I've just noticed that when the case.inb file is written by either
writeorientedangularspectrum.f or writeaveragedenergyspectrum.f (subroutines
of TELNES2, see SRC_telnes2), it always sets the valence broadening to be
linear with E (i.e. w=1). The broadening program offers four different
valance broadenings (w=0...3, see valencebroadening.f in SRC_broadening).
What are the reasons for that? Why TELNES2 always chooses linear broadening
and not, for example, the linear broadening (w=0)? Is this related the
post-processing of the experimental spectra (i.e. the background is
subtracted or not)?
Thanks for you help.
David
__________________________________________________
David Holec
Department of Materials Science & Metallurgy
University of Cambridge
Pembroke Street
CB2 3QZ, U.K.
Tel: +44 (0) 1223 334404
Email: dh331 at cam.ac.uk
__________________________________________________
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