Hello everybody I'm studying the effect of transition metals adsorption on the transport properties of borophene nanoribbon. The atoms are positioned at the best point of the nanoribbon in terms of energy absorption.  For this structure In zero bias :  In step 1 of transiesta : I obtained left-electrode.TSHS and right-electrode.TSHS.In step 2 of transiesta:  I did not obtain "scattering.TSHS" in this step. "  I checked the output, and I realized this  "SCF did not converge in the maximum number of steps in transiesta." ---------------------------------------------------------------------------------------------------------------------------------- I did the following to solve this problem: 1. I changed and reduced two parameters MixingWeight and NumberPulay. 2. I altered and reduced the accuracy with two parameters Tolerance and MaxForceTol. Unfortunately, changing these parameters did not solve the problem.  I appreciate you to give your opinion and guide me.