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QuantumATK => General Questions and Answers => Topic started by: zQ on August 16, 2017, 13:10

Title: Fitting already preapred structure into a Hexagonal Cell
Post by: zQ on August 16, 2017, 13:10

Dear All Users,

This is my first post and looking forward to explore what VNL can do. I have prepared InSe slab structure and want to put this structure into a hexagonal cell (V1=a,0,0; V2=-a/2,root3/2*a, 0; V3= 0, 0 , 15). I want to put the structure in such a way that it becomes periodic. Is there any way that I can prepare a cell and then rotate the structure visibly in VNL to produce it periodically ? Please guide, there must be some easier way to do this task.

Best wishes
Masood Yousaf

Title: Re: Fitting already preapred structure into a Hexagonal Cell
Post by: Petr Khomyakov on August 16, 2017, 13:36

The easiest way to build the structure of bulk InSe is to import it from the internal Database in the VNL. In the Builder, go to Add -> Database -> do a search for InSe -> add it to the Stash. I think it would be a good idea of going through our tutorials, e.g., starting with these ones:  http://docs.quantumwise.com/tutorials/getting_started.html and http://docs.quantumwise.com/tutorials/builder_manual/builder_import/builder_import.html.

Title: Re: Fitting already preapred structure into a Hexagonal Cell
Post by: zQ on August 17, 2017, 03:42

Thank You Petr Khomyakov. I will go through the tutorials and will register for the upcoming webinar as well.

Best wishes
Masood