The transmissions as functions of energy are central for electron or phonon transport in the Landauer transport picture. We suggest a simple and computationally "cheap" post-processing scheme to interpolate transmission functions over k-points to get smooth well-converged average transmission functions. This is relevant for data obtained using typical "expensive" first principles calculations where the leads/electrodes are described by periodic boundary conditions. We show examples of transport in graphene structures where a speed-up of an order of magnitude is easily obtained.
@article{arxiv.1505.03267,
title = {Simple and efficient way of speeding up transmission calculations with $k$-point sampling},
author = {Jesper Toft Falkenberg and Mads Brandbyge},
journal= {arXiv preprint arXiv:1505.03267},
year = {2015}
}