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
cnt84-trans.fdf
Description: application/vnd.fdf
<<attachment: trans.png>>
