Dear Siesta User, I am trying to do a transiesta calculation which involves finding the current through the dibenzene thiolate in between the left and right electrode. The right and left is required to be Au(111) surface. It might be a very basic thing but I have no idea how to define the unit cell, lattice vectors and the atoms coordinates to construct an Au(111) surface. Can anybody help me get rid of my problem.
I hope to get the reply as soon as possible. Thanks in advance
