[DFTB-Plus-User] Lead DOS in molecular junctions

Raha khalili khadije.khalili at gmail.com
Wed Mar 22 11:45:12 CET 2017


Dear all,

I am trying to do some transport calculations on single- and bi-molecular
junctions. I found NDR behavior in the later structures and now I need to
plot lead DOS to explain this effect.
I am writing to ask how I can do it. I mean it needs a different
calculation or I just can use my previous transmission results obtained
from DFTB+.

Thank you in advance for any helping.
Best regards,
Raha
DTU-Energy
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