Hi Ajit,
The one way I can propose is to use Wiedemann-Franz Law,
where electrical conductivity is calculated within some
electronic structure package, quantum espresso for example.
I'm not an expert in electronic transport calculation.
I think it will be good idea to search through the Internet who did this
type of calculation, or you can register on quantum-espresso, or any other
packages, forum and place your question.
Best,
German