Overview

Alloy Theoretic Automated Toolkit (ATAT) is a generic name that refers to a collection of alloy theory tools developed by Axel van de Walle, in collaboration with various research groups and with various sources of financial support.

Using

Use the module name atat to discover version available and load the application.

ATAT calls the gnuplot module in some of its commands behind the scenes and requires the creation of the .gnuplot file in the users home directory as detailed on the gnuplot wiki page.

VASP Interface

ATAT has the ability to interface with VASP which requires the user to have access to an install of VASP. For more details about setting up the interface please refer to the link: https://www.brown.edu/Departments/Engineering/Labs/avdw/atat/manual/node11.html