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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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 -- ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
