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arXiv:1907.10151cs.CE

Calculating phase diagrams with ATAT

Martin Bäker

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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.

arXiv comments
28 pages, 11 figures
Journal reference
DOI
Subjects
cs.CEComputational Engineering, Finance, and Science cond-mat.mtrl-sciMaterials Science

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