[DFTB-Plus-User] Meaning of 'Interacting PLs' in DFTB+NEGF log file

Gabriele Penazzi gabriele.penazzi at bccms.uni-bremen.de
Mon May 5 08:57:56 CEST 2014


On 05/05/2014 08:50 AM, anz118466 at cse.iitd.ac.in wrote:
>
> Hi all,
>
> I am simulating my system using the DFTB+NEGF package. I had a small doubt
> regarding the information generated from the simulation. My device region
> consists of 3 PLs and the log file generated from the run consists of the
> following message:
>
> ********************************************************************************
> ** Geometry step: 0
> ********************************************************************************
>
>    Structure info:
>    Number of PLs:           3
>    Interacting PLs:           2           1
>
> I presume that the 'Structure info' denotes the total number of PLs in the
> device region. But, what does the 'Interacting PLs' field stand for? Is it
> denoting the corresponding PL that is in contact with the source and
> drain?

Hi Anusha,

yes, these are the total number of PLs and the index of PL interacting 
with the contacts. You can use these information to verify that the 
Block Hamiltonian looks like you would expect.

Gabriele



>
> Thanks and Regards,
> Anusha Iyer
>
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-- 
Dr. Gabriele Penazzi
BCCMS - University of Bremen

http://www.bccms.uni-bremen.de/
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