QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: sweta on February 2, 2017, 07:03
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Hello all,
I want to build perovskite CH3NH3PbI3 structure and study its band structure througk ATK-VNL. Is that possible??? If yes, then please explain or send me the useful link regarding the same.
Thanks
Sweta
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Hello,
of course it can be done. ATK-VNL comes with a practical crystal builder in which one can construct complex crystalline systems by entering the crystallographic coordinates:
http://docs.quantumwise.com/tutorials/crystal_builder/crystal_builder.html
Once the crystalline system is specified, it is also possible to study its band structure:
http://docs.quantumwise.com/tutorials/crystal_bandstructure/crystal_bandstructure.html
Regards,
Daniele.