[DFTB-Plus-User] Electronic transport

[Bálint Aradi]

The DFTB+ recipes tutorial might be a good starting point.

https://dftbplus-recipes.readthedocs.io/en/latest/transport/index.html

Best regards,

Bálint


On 3/11/25 1:51 PM, toufik essakhri wrote:
> Dear all,
> I would like to calculate the current-bias curve (I-V) for some 
> materials. After searching in the archive of the forum I found two links
> for some examples and for more understanding how to run calculations, 
> which are unfortunately not accessible.
> /1- //_http://www.dftb-plus.info/fileadmin/DFTB-Plus/public/recipes- 
> negf/html/transport/example_sinw.html <http://www.dftb-plus.info/ 
> fileadmin/DFTB-Plus/public/recipes-negf/html/transport/ 
> example_sinw.html>_/ /2- //_http://www.dftb-plus.info/fileadmin/DFTB- 
> Plus/public/tutorials/cecamhp/html/ <http://www.dftb-plus.info/ 
> fileadmin/DFTB-Plus/public/tutorials/cecamhp/html/>_/
> Could anyone share a working link or example of transport calculation 
> using DFTB+.
> Thank you in advance, Toufik
> 
> 
> 
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-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.uni-bremen.de/en/lmcqm/b-aradi

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