In this paper, we perform two-layer high-throughput calculations. the first layer, which involves changing crystal structure and/or chemical composition, analyze selected III–V semiconductors, filled and unfilled skutterudites, as well rock salt layered chalcogenides. The second layer searches full Brillouin zone (BZ) for critical points within 1.5 eV (1 = 1.602176 × 10?19 J) of Fermi level cha...