Dear Nick Papior, I am simulating the transport properties of defects, like vacancies and line defect, in monolayer MoS2. I want to keep the leads as small as possible so that I can increase the number of atoms in the central region in order to calculate these effects as accurate as possible. Therefore, I was wondering how do I select the number and size of the leads tp get the best performance?? How do I know what the down-limit is?
Best regards Mohammad Bahmani
