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QuantumATK => General Questions and Answers => Topic started by: gayani2025 on August 2, 2025, 05:52

Title: Spin transport calculation of chiral molecule 0 bias to finite bias calculation
Post by: gayani2025 on August 2, 2025, 05:52

Dear All,

I am currently following the QuantumATK tutorial on transport calculations:
https://docs.quantumatk.com/tutorials/atk_transport_calculations/atk_transport_calculations.html

As a first step, I performed the calculation at zero bias. Following the procedure described in the tutorial, I then used the optimized device configuration from the zero-bias calculation as the starting point for the finite bias transport calculation.

I have attached the steps I followed for your reference. Could you please take a look and let me know if my approach is correct?

Thank you very much in advance.