  The locally self-consistent multiple scattering (LSMS) method can perform
efficient first-principles calculations of systems with large number of atoms.
In this work, we combine the Kubo-Greenwood equation with LSMS, enabling us to
calculate first-principles residual resistivity of large systems. This has been
implemented in the open-source code lsms. We apply this method to selected pure
elements and binary random alloys. The results compare well with experiment,
and with values obtained from a first-principles effective medium technique
(KKR-CPA). We discuss future applications of this method to complex systems
where other methods are not applicable.

Materials Science