ECON-KG: A Code for Computation of Electrical Conductivity Using Density Functional Theory
Technical Report,01 Oct 2016,30 Sep 2017
US Army Research Laboratory Aberdeen Proving Ground, United States
Pagination or Media Count:
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.
- Electricity and Magnetism
- Physical Chemistry