[DFTB-Plus-User] Transmission matrix

Alessandro Pirrotta alessandro.pirrotta at chem.ku.dk
Mon May 8 12:34:02 CEST 2017

Dear Esi,

To add on Balint's reply: you can compute local currents. Note that these are not transmission pathways.
You obtain local currents if you apply a bias to your device and turn on “LocalCurrent" in the  block “Eigensolver” like this:

  Eigensolver = GreensFunction {
    LocalCurrents = Yes

Alessandro Pirrotta
Alessandro Pirrotta
PhD student

Faculty of Science
Department of Chemistry &
Nano-Science Center
University of Copenhagen
Universitetsparken 5, C321
2100 Copenhagen Ø

DIR +45 21 18 11 90
MOB +45 52 81 23 41

alessandro.pirrotta at chem.ku.dk<mailto:alessandro.pirrotta at chem.ku.dk>

On 8 May 2017, at 11.09, Bálint Aradi <aradi at uni-bremen.de<mailto:aradi at uni-bremen.de>> wrote:

Dear Esi,

Can dftb+ calculate transmission eigenvalue, eigenstate and path way
similar to quantumwise?

No, we do DFTB+ (or to be more precise, the libNEGF library) does not
calculate those properties yet.

 Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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