clupan is a tool for performing the cluster expansion and several Monte Carlo simulations in multicomponent alloys. clupan can be used for predicting ground state structures and evaluating phase diagrams on the basis of results of DFT calculations.
License
GNU General Public License version 2.0 (GPLv2)Follow clupan
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User Reviews
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5 out of 5 starsThanks for Clupan, it's the best!