[DFTB-Plus-User] DOS, normalization?

Magdalena Ka┼║mierczak m.kazmierczak at cent.uw.edu.pl
Wed Nov 20 00:49:46 CET 2019


Dear All,
Thank you for previous response, it was helpful and I managed to solve my
problems.

Now I have a problem (maybe more a question) regarding DOS. I wonder
if there is
any possibility to normalize the number of states per unit of energy
for each type of atoms.
In my case I am dealing with a system that has a lot of carbon atoms
compared to others and
I wonder if dftb optimization itself normalizes the PDOSes of
individual atoms relative to others.
Is there any possibility of converting individual graphs into "one
atom" so one would be able
to compare PDOS for example of 100 carbons and one nickel.
Or maybe dftb does this automatically?

Best regards,

Magdalena Ka┼║mierczak
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