Dear Steven,
Thanks for your answer. It turns out the problem was in an object (a
silicon block), that somehow got into the geometry used for the
calculation of the reference fluxes (that geometry should have been
empty). That explains why transmittance looked ~ok, but reflectance
was completely screwed up. The distance sample-source seemed to be ok.
I still have one question about that physical effect that affects
the DOS when the source is too close to the sample. Do you have any
rule of the thumb about how far should we be to avoid it? In the code
that we are attaching (and works), the source is 2 distance units
away from the sample (~0.8 wavelengths for the lowest frequency=0.2)
and we don't see any effect. We can always increase the distance if
we obtain weird results, but I would prefer to have an idea of when
we are too close or not.
Thanks again,
Floren
Florencio Garcia-Santamaria, PhD
Postdoctoral Research Associate
Department of Materials Science and Engineering.
University of Illinois at Urbana-Champaign.
Phone #: 217-333-6779
Personal web-page -> users.mrl.uiuc.edu/floren
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