A code for calculating the semi-classical thermoelectric and electronic transport properties is described. It uses the Landauer transport theory, which is equivalent to the Boltzmann theory, by introducing a central quantity-the distribution of modes. Its usage enables the so-called band-counting algorithm that can speed up the calculation and offers the potential to rapidly screen DFT band structures. Good agreements are found when comparing the results obtained using band-counting and established Fourier-based interpolation methods.
@article{arxiv.1806.08888,
title = {LanTraP: A code for calculating thermoelectric transport properties with the Landauer formalism},
author = {Xufeng Wang and Evan Witkoske and Jesse Maassen and Mark Lundstrom},
journal= {arXiv preprint arXiv:1806.08888},
year = {2020}
}