Hi Nick, Thanks a lot for your reply, it definitely helps! So the factor of 2 in current tbtrans version is just a bug? Best Regards, Z. Q.
________________________________ From: Nick Papior Andersen <[email protected]> To: Zenan Qi <[email protected]> Cc: siesta-mailinglist <[email protected]> Sent: Wednesday, September 18, 2013 2:17 AM Subject: Re: [SIESTA-L] Graphene nanoribbon tutorial result problem 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_answers seems 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. >
