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General Questions and Answers / Electrode and electrode extension size
« on: June 9, 2023, 12:13 »
Hi all,
My results obtained from transport calculations vary with electrode size. The results I obtained when the minimum electrode size is one unit cell i.e. 3.7 ang and the electron extension is two unit cells i.e. 7.4 ang (QATK default) are quite different from when the minimum electrode size is two unit cells i.e. 7.4 ang and the electrode extension size is two units cells, i.e. 7.4 ang. I wonder, which parameter do we need to change in order to obtain accurate results? Is it the electrode size or the electrode extension size?
My results obtained from transport calculations vary with electrode size. The results I obtained when the minimum electrode size is one unit cell i.e. 3.7 ang and the electron extension is two unit cells i.e. 7.4 ang (QATK default) are quite different from when the minimum electrode size is two unit cells i.e. 7.4 ang and the electrode extension size is two units cells, i.e. 7.4 ang. I wonder, which parameter do we need to change in order to obtain accurate results? Is it the electrode size or the electrode extension size?