[Wien] Optical properties for new and old WIEN

[Robertson Burgess]

Dear WIEN users,
    Firstly many thanks for your help in the past, I have been
calculating the optical properties for slabs of Aluminium and you have
all been very forthcoming in helping me along in the past couple of
months.
    Unfortunately, after getting some very odd results using the latest
version of WIEN, I had previously requested that an older version,
around WIEN2k_03 be sent to me. After running identical calculations for
a 5 atom slab of Aluminium on both the latest WIEN2k_07 and older
WIEN2k_03, the eloss spectra look distinctly different for the two
versions. The most notable difference is the difference in the eloss
spectra when calculating oscillations perpendicular to, and
perpendicular to the slab plane. In the most recent version the spectra
were similar, with slight energy differences and intensities for the
main peak but similar overall shape. Calculations over a range of
thicknesses showed that this trend continued, with no clear trend
between thickness and difference between peaks in either component. In
the older version, however, there was a very distinct difference between
the eloss spectra for either direction.
      I plan on looking through the two versions of code to try and find
where this difference could have occured, but any suggestions of where
we might look would be very appreciative. I have attached the structure
file I used, again it is a 5 atom thick slab of aluminium separated by
vacuum.

Many thanks in advance,
Bob Burgess
University of Newcastle
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