[Pw_forum] WanT first public release

[Marco Buongiorno Nardelli]

Dear friends and colleagues,
it is our great pleasure to announce the first public release of the 
WanT suite of codes for ab initio electronic transport calculations at:

http://www.wannier-transport.org

WanT is an open-source, GNU General Public License suite of codes that 
provides an integrated approach for the study of coherent electronic 
transport in nanostructures. The core methodology combines 
state-of-the-art Density Functional Theory (DFT), plane-wave, 
norm-conserving pseudopotentials calculations with a Green's functions 
method based on the Landauer formalism to describe quantum conductance. 
The essential connection between the two, and a crucial step in the 
calculation, is the use of the maximally-localized Wannier function 
representation to introduce naturally the ground-state electronic 
structure into the lattice Green's function approach at the basis of 
the evaluation of the quantum conductance. Moreover, the knowledge of 
the Wannier functions of the system allows for the direct link between 
the electronic transport properties of the device with the nature of 
the chemical bonds, providing insight onto the mechanisms that govern 
electron flow at the nanoscale.

Fell free to forward this message to all the people you think might be 
interested.

The WanT developers team.
-----------------------------------------------

Marco Buongiorno Nardelli
Assistant Professor of Physics
Department of Physics, NC State University
CCS-CSM, Oak Ridge National Laboratory
http://ermes.physics.ncsu.edu




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