Calculating phase diagrams with ATAT
Computational Engineering, Finance, and Science
2019-07-25 v1 Materials Science
Abstract
This document is a short and informal tutorial on some aspects of calculating phase diagrams with the ATAT-tools emc2 and phb and on creating cluster expansions with maps. It is neither complete, nor in any way an official document, but mainly a set of collected notes I took during experimentation with ATAT.
Cite
@article{arxiv.1907.10151,
title = {Calculating phase diagrams with ATAT},
author = {Martin Bäker},
journal= {arXiv preprint arXiv:1907.10151},
year = {2019}
}
Comments
28 pages, 11 figures