HELLO EVERYONE I wanted to ask you two Transiesta questions (of course your reply is at your time of convenience):
1) I have noticed in different transiesta calculations that many do the following: a- Left electrode calculation of lets say 50 gold atoms. b- Right electrode calculation of lets say 50 gold atoms. c- System calculation with more than 50 gold atoms in each electrode. The scattering region is just a molecule independent of gold. My question is Does that make any sense to you? I know that the physics behind it is simply that we are assuming by increasing the number of gold atoms in the WHOLE SYSTEM calculation that we are making the electrodes semi infinite. But I thought for calculation consistency the number of gold atoms in both electrodes should be the same through out the system calculation. 2) Does the z component of the atom in a transiesta make any difference in the calculation or not? If so why? Thank you very much and looking forward to your reply. EL-Abed El-abed Haidar | Doctor of Philosophy (Science) Condensed Matter Theory (CMT) Group | School of Physics THE UNIVERSITY OF SYDNEY | NSW | 2006
