Exploring the features of $E_n{(\bf k)}$

The full dispersions, $E_n({\bf k})$, are conventionally represented on specific high-symmetry paths or integrated to determine the density of states. Novel methodologies, developed within the AFLOW consortium, allow analysis of the full energy dispersion efficiently in order to seek for valleys with optimized properties. We discuss results from high-throughput calculations performed with AFLOW$\pi$ to illustrate the importance of the full band structure in the optimization of the electronic transport coefficients. We will focus our discussion on binary chalcogenides.