Author Topic: Fitting already preapred structure into a Hexagonal Cell  (Read 3231 times)

0 Members and 1 Guest are viewing this topic.

Offline zQ

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: pk
  • Reputation: 0
    • View Profile
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

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Fitting already preapred structure into a Hexagonal Cell
« Reply #1 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.

Offline zQ

  • New QuantumATK user
  • *
  • Posts: 2
  • Country: pk
  • Reputation: 0
    • View Profile
Re: Fitting already preapred structure into a Hexagonal Cell
« Reply #2 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