I think you may want to change atom number 104 to a carbon to get the nano-ribbon. As you have it right now it is a nanoribbon with a defect.
2014-06-19 5:42 GMT+02:00 zhiyong wang <[email protected]>: > > > > Dear siesta Users: > > I am calculating the transport properties of zigzag > graphene nanoribbon, I get the transmission spectrum under zero bias, but > it isn't symmetric between -2 eV and 2 eV, I don't know where is the wrong > parameter? Can you help me? Thank you very much! You can find the input > file and output in the enclosed file. > > Sincerely Yours > zhiyong wang > > -- Kind regards Nick
