Augmented space recursion code and application in simple binary metallic alloy

TL;DR

This paper introduces an optimized, parallelized augmented space recursion code for calculating electronic and magnetic properties of various disordered alloy systems, demonstrating its effectiveness through benchmarking on bulk alloys.

Contribution

The paper presents a novel, optimized parallel implementation of the augmented space recursion method for disordered alloys and related structures.

Findings

Successful benchmarking on bulk disordered alloys

Enhanced computational efficiency through optimization and parallelization

Versatile application to surfaces, interfaces, and networks

Abstract

We present here an optimized and parallelized version of the {\sl augmented space recursion code} for the calculation of the electronic and magnetic properties of bulk disordered alloys, surfaces and interfaces, either flat, corrugated or rough, and random networks. Applications have been made to bulk disordered alloys to benchmark our code.