[Pw_forum] Landauer approach

[Nicola Marzari]

On 23/10/2012 12:50, Amir hosseini wrote:
> Dear Espresso team
>
> I have queston about Landauer approach.
>
> How to use Density-Functional Theory (ground-state) in the Landauer approach?
>
> Thank you very much, best regards
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Ciao Amier,


Wannier90 (www.wannier.org) has a substantial module for
Landauer conductance calculations - instructions are in the
manual, and there will be a tutorial at ICTP the week after
Total Energy - it's interfaced with Quantum ESPRESSO and
most other electronic-structure codes around.

Nano TCAD ViDES ( http://vides.nanotcad.com/vides/ ) has been
recently interfaced with Wannier90 - not sure if the interface is
already distributed, but you could always ask the authors.

				nicola


-- 

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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL