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User's Guide - CALYPSO

User's Guide CALYPSO version October 20, 2016 Description The CALYPSO user s Guide describes how to run and use various features of the structural prediction program CALYPSO . This Guide shows the capabilities of the program, how to use these capabilities, the necessary input files and formats, and how to run the program both on uniprocessor machines and in parallel. Copyright 2010-2016 CALYPSO Developers Group. All Rights Reserved. 2 CALYPSO License Structural Prediction software, CALYPSO , is available free of charge for non-commercial use by individuals, academic or research institutions, upon completion and submission of the online registration form available from the CALYPSO web site Commercial use of the CALYPSO software requires A CALYPSO COMMERCIAL LICENSE.

Crystal structure prediction via particle-swarm optimization, Phys. Rev. B 82, 094116 (2010). Cluster Structure Prediction: Jian Lv, Yanchao Wang, Li Zhu, and Yanming Ma* Particle-Swarm Structure Prediction on Clusters, J. Chem. Phys. 137, 084104 (2012). Two-Dimensional Layer Structure Prediction: 1.

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