[Pw_forum] Landauer approach

Nicola Marzari nicola.marzari at epfl.ch
Wed Oct 24 10:23:49 CEST 2012

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.



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

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