hi,
when you want to compare DOS/PDOS with experiment you need a larger
broadening to simulate the experimental broadening. however a smaller
broadening could be used for identifying structures and their
l-decomposition.
s.auluck
Hello all, I have a question concerning the broadening parameter
within the PDOS block. I understand that the larger this value, the
smoother the resulting PDOS curve and the larger the possibility one
loses information concerning peaks that may have been smoothed over.
Ideally, one would want this to be as small as possible. Is there
anything wrong with this assumption. To put it another way, is there
any danger to setting this parameter really low, say 0.05 for example.
Thanks in advance, Tom
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