Significance of Buffer Regions
Hello,
What is the significance of the buffer region in transiesta calculations? Isn't the measurement taken between the left and the right electrodes? The transiesta manual specifies that the buffer region helps in getting a better initial Hamiltonian. But adding buffer region significantly complicates my calculations and the convergence rate is too slow.
Should I place buffers on left side of the left electrode and right side of the right electrode or can I combine them on one side? Is there any formula to get the ideal number of buffer layers or is it trial-and-error?
Also, should I specify the same buffer region for my individual electrode calculations as well? Currently I'm specifying buffer only for my device calculation.
NB: I am using Siesta 4.1-b4
Thanks
Em
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