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Calypso

  • 公開度：3 ★★★
  • ドキュメント充実度：2 ★★☆

An application for prediction of stable and metastable structures from a chemical composition. This application applies particle swarm optimization to predict material structures from results of the first-principles calculation by external packages (VASP, CASTEP, Quantum Espresso, GULP, SIESTA, CP2k). It has been applied to predict not only three-dimensional crystal structures, but also those of clusters and surfaces.

基本情報
Last Update:2021/03/05

公式サイト

http://www.calypso.cn/

ライセンス

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 http://www.calypso.cn/getting-calypso/. Commercial use of the CALYPSO software requires A CALYPSO COMMERCIAL LICENSE. Commercial use includes: (1) integration of all or part of the Software into a product for sale, lease or license by or on behalf of Licensee to third parties, or (2) distribution of the Software to third parties that need it to commercialize product sold or licensed by or on behalf of Licensee. These requests can be directed to Prof. Yanming Ma by email: mym@calypso.cn http://www.calypso.cn/documentation/CALYPSO_Manual_English.pdf
利用環境 Pre-built executable files for MacOS, Linux are available
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