How to choose the range of convergence for self-consistent solutions for gnrfet?

Hi, i’m trying to choose the range of convergence for self-consistent solution of potential(from poisson’s equation) and density ( from NEGF) for graphene nanoribbon field effect transistor, can anybody guide me or introduce some lecture to help me? thanks alot.

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Sina Soleimani@ onDear mona you should calculate the relative difference between V(n) and V(n+1) (n number of iteration) which is defined as :

r =( ||V(n+1) – V(n)|| ) / ( ||v(n+1)|| + ||v(n)|| ) where || ‘ || is the norm of the matrix . r is a total arbitrary number which is way smaller than 1 for example 10e-6 .

Note that you can use the Broyden’s second method which can decrease the number of iterations significantly. good luck Sina

by the way I think it really doesn’t matter what kind of material or device you’re trying to simulate

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