How to model a stoichiometric nanocluster for DFT calculations?

26 May 2023 0 9K Report

Dear Altruists

I would like to know that how can I model a stochiometric nanocluster e.g (CdSe)n with a spherical shape? Is there any software or code available to do so?

Thank you very much.

Best regards

Arindam Sannyal

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