Electric transport

Electronic transport properties of molecules, nano-wires, and superlattice structures can be calculated based on a non-equilibrium Green's function method. The features and capabilities are listed below:

• SCF calculation of system with two leads under zero and a finite bias voltage
• Accurate and efficient contour integration scheme
• Spin-dependent transmission and current
• Calculation of current-voltage curve
• Non-self consistent quick calculation of current under a finite bias
• k-dispersion along perpendicular to the current axis

The functionalities are now shared within developers. In the future release they will be released as a GNU-GPL code.