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Messages - infinitymohit

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General Questions and Answers / whic is suitable optimization calculation for ZnS nano tube and ZnS nano Sheet ?
« on: December 20, 2019, 17:38 »
I want to make (4,4) ZnS Nanotube and ZnS Single-layer nano sheet using ATK plugin. I face a problem in their optimization as optimized structures show 0eV  bandgap. Plz help me to know a suitable computation method to optimize a nanotube and nanosheet. regards

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