Periodic system under zero bias

When the transmission of a system with the periodicity along the a-axis as well as the periodicity of the bc-plane is evaluated under zero bias voltage, it can be easily obtained by making use of the Hamiltonian calculated by the conventional band structure calculation without employing the Green function method. This scheme enables us to explore transport properties for a wide variety of possible geometric and magnetic structures with a low computational cost, and thereby can be very useful for many materials such as supperlattice structures. The calculation is performed by adding a keyword 'NEGF.Output.for.TranMain':

      NEGF.Output.for.TranMain    on

in the band structure calculation of the step 1. Then, after the calculation of the step 1, you will obtain a file '*.tranb' which can be used in the calculation of the step 3, which means that you can skip the calculation of the step 2.