Hi Jan, did you to check if you get a correct density of states with a siesta run on the same structure, just to be sure that you can assure that the problem is in the transiesta and-or pyTBT?
Gabriele Penazzi 2011/8/29 Jan Sommer <[email protected]>: > Dear all, > > I'm still experiencing troubles with transiesta respectively tbtrans. > The system I'm currently working with is a semi conducting carbon nanotube. > I want to get the transmission spectrum for it. > The transiesta run (electrodes are the same cnt) finishes without errors, > also pyTBT (I use pyTBT, since tbtrans refuses to work with large systems > for me) runs without errors, but the results cannot be right. > > The transmission spectrum for 0 V bias isn't a step function as it should be > and the values are around 10^-3. > > The same setup works well, with a similar but metallic system, so I don't > where to search. > Has someone an Idea, what else I can do? > Or is it possible to get the transmission spectrum at least for zero bias > differently? > > I attached the fdf-file and an image of the resulting transmission spectrum > to give you an idea what I'm talking about. > > Many thanks in advance. > > Best Regards, > > Jan >
