No, you probably cannot do this since you need a "screening" layer which
ensures the electrode has the electronic structure of a bulk part.
Den man. 8. jul. 2019 kl. 22.04 skrev El-abed Haidar <
ehai2...@uni.sydney.edu.au>:
> Good afternoon all.
> I was wondering if I calculate a system made of
Good afternoon all.
I was wondering if I calculate a system made of gold electrodes but without
including gold into the scattering region. But still managed to get PDOS SIESTA
and PDOS TbTRANS (V=0) to be equivalent, would that be ok? Or is having gold in
the scattering region mandatory?
Thank
