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 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 you and eager to reading your reply. > EL-ABed > > > El-abed Haidar | Doctor of Philosophy (Science) > Condensed Matter Theory (CMT) Group > | School of Physics > THE UNIVERSITY OF SYDNEY | NSW | 2006 > > -- Kind regards Nick
