Assessing the accuracy of a screened hybrid functional for property predictions of elemental solids

Over the last decades, density-functional theory (DFT) has become the work horse of computational materials science. Nevertheless, for several critical applications the most popular approximations do not suffice. The first step towards more accurate predictions lies in the inclusion of nonlocal effects. In this respect, the method by Heyd et al., called HSE06, was found to yield good results for solids. This project therefore aims to quantify and analyse the obtainable accuracy of this computationally more intensive approach and compare to low-cost DFT methods for all elements.