Ab Initio Approach to Electronic Conductivity Calculations for Disordered Structures

Explore an in-depth presentation on the implementation and application of the Kubo-Greenwood formula in the LSMS method for ab initio electronic conductivity calculations of disordered structures. Delve into Vishnu Raghuraman's recent work and gain insights into this advanced computational approach. Additionally, examine a comparative analysis of various ab initio methods, including MuST, VASP, and WIEN2K, for calculating the energetics of selected metals and binary compounds.

Ab initio approach to electronic conductivity calculations for disordered structures