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!!Aflow!! is a method for high-throughput computational materials design. It automates calculations using ab initio electronic structure methods such as VASP and Quantum Espresso.

!!Aflow!! can calculate physical properties such as: relaxed geometries, electronic and phonon band structures, magnetic properties, and thermodynamic properties.

It features powerful post-processing tools to automatically generate plots of band structure and density of states, as well as plots of phase diagrams. !!Aflow!! can also be utilized to extract properties such as heat capacity, formation energy, and magnetic configuration.

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The Aflowlib REST API enables users to search and download results from the consortium. This REST API was originally described in Comp. Mat. Sci. 93, 178 (2014) (see below for the full citation), where more details on how to download the data can be found.

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Citation: A RESTful API for exchanging materials data in the consortium. Computational Materials Science, Volume 93, October 2014, Pages 178-192. Richard H. Taylor, Frisco Rose, Cormac Toher, Ohad Levy, Kesong Yang, Marco Buongiorno Nardelli, Stefano Curtarolo.


DOI: 10.1016/j.commatsci.2014.05.014

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documentation/start.txt · Last modified: 2014/11/07 15:43 by allison