Work

Calculating phase diagrams with ATAT

Year: 2019
Type: preprint
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.
Language: English
Open Access status: green
OpenAlex ID: W2963462910
Cites: 7
Cited by: 3
Related to: 10