Question on Transport calculations with QuantumATK

[gayani2025]

Dear All,

My version is W-2024.09-SP1
I want to study spin current through a Perovskite materials
As a startup I'm doing some tutorials.
https://docs.quantumatk.com/tutorials/atk_transport_calculations/atk_transport_calculations.html#atk-transport-calculations
So the defined Calculator ATK-Slator Koster cannot be found in my menu. Can you please advise me on how to proceed with this. I want to start from the very beginning since this is the first time that I'm doing this type of a calculation.

Thanks
GN

[Anders Blom]

You will need to use DFT for perovskites, there are no semiempirical models that can be trusted.

[gayani2025]

Thanks for the message !!!