ECON-KG: A Code for Computation of Electrical Conductivity Using Density Functional Theory

Report No. ARL-TR-8196
Authors: DeCarlos E Taylor
Date/Pages: October 2017; 22 pages
Abstract: In this report, an implementation of the Kubo-Greenwood formula for electrical conductivity, for use with the Quantum Espresso software package, is presented. Details of the implementation and instructions for execution are presented, and an example calculation of the frequency-dependent conductivity of liquid sodium is presented and compared to experimental results.
Distribution: Approved for public release
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Last Update / Reviewed: October 1, 2017