Hello everyone I have encountered a strange problem of electrode definition which is follows:
Usually we use same electrode as Left and Right, Siesta understood the electrode coordinates using periodicity of structure. I relaxed a structure using siesta, then I took first few atoms(16 atom in my case for Graphene nanoribbon) as electrode and try to do my calculation while keeping both the electrode same. Now since after relaxation my co-ordinates got changed, it showed error. Then to solve this issue I decided to calculate .TSHS files for both electrode separately. So I calculated Left electrode files but I am facing a problem in writing .fdf file for right electrode. How to write co-ordinates and lattice vectors for right electrode so that it fits in the picture? I also refered to mail archives for this but i wont get any solution. Please help me in dealing with this situation. Thank you. Regards Riya
