I can't be too sure about the "shift", that seems wrong. You are sure you haven't looked at the pristine zig-zag graphene? (that http://dipc.ehu.es/frederiksen/tstutorial/index.php/Nanoribbon_answersseems to shown what you have for the pristine case but with a factor of 2 in the transmission.) There is currently a mismatch between a factor of 2 in the tbtrans versions. The current releases have a factor of 2.
Does this answer your question? Kind regards Nick 2013/9/17 Zenan Qi <[email protected]> > Dear Siesta users, > > I followed the graphene nanoribbon tutorial ( > http://dipc.ehu.es/frederiksen/tstutorial/index.php/Zig-zag_graphene_nanoribbon) > and got the transmission spectrum data in output file. I plot it out but > somehow the curve is shifted and magnified, i.e. the answer's curve for > defect zigzag nanoribbon is between 1 to 3 and centered at 2 (Y-axis), but > I got 2 to 6 and centered at 4. > > It seems there is a factor of 2, but I followed exactly the same steps > from tutorial and don't know why there is such a disagreement. Any > suggestion is welcome and appreciated, thanks! > > Best Regards, > Z. Q. >
