DFT & NEGF Quantum Transport Solver

The goal of OMEN_DFT project is to develop a massively parallel code for simulation of nano-electronic devices with atomic resolution. The electronic structure is computed at DFT level with semi-local exchange-correlation functionals allowing good fit to experimentally measured semiconductor band gaps. State of the art numerical techniques are used to implement

1. first-principle electron-phonon interaction within Non-Equilibrium Greens Functions framework and
2. linear scaling of computational effort for devices with realistically large number of atoms.

The Gaussian-based package "Hamiltonian_Constructor" is now freely available and can be used by both DFT enthusiasts and as a constituent part of professionally written DFT or transport codes.  
Please address technical questions to areshkin*-at-*iis.ee.ethz.ch.