Hello, Dear Transiesta users and developers, >From the manual of the Transiesta part, I read the following sentences:
"For the SR, TranSiesta starts with the usual Siesta procedure, converging a Density Matrix (DM) with the usual Kohn-Sham scheme for periodic systems. It uses this solution as an initial input for the Green's functions self consistent cycle." My question is, if we have different electrodes, then along the z direction, defintely the periodic boundary condtion can not be satisfied. How can such initial calculations be done? How is it realized? So I am wondering whether we can really do different electrodes with this version of Transiesta. Any explanations are warmly welcome. Thank you very much! Sincerely, Yusia
