Kubo-Greenwood Electric Conductivity Tensor:\\ Essentials and Open-source Implementation

We survey the essentials for calculation of the complex electric conductivity tensor based on the Kubo-Greenwood (KG) formalism, then discuss our new implementation of a KG post-processing tool for Quantum Espresso. The motivating physical problem is computational characterization of warm dense matter. Solutions to both formal and technical problems implicit in the use of Projector Augmented Wave datasets and a plane wave basis will be discussed, especially in the context of simulations of materials in extreme conditions. A full implementation in an open-source Fortran 90 code and illustrative results from it will be presented.