The auxiliary supercell refers to the number of neighbouring cells that the primary unit cell interacts with. Hence H /= 0 within these "auxiliary" supercells and H = 0 outside.
For transiesta it is important that the electrodes only interact with the neighbouring cells. In the transport direction the auxiliary number of supercells should be 2 or 3. -- Kind regards Nick Papior On 4 May 2016 13:16, "RAJAN SINGH" <[email protected]> wrote: Dear Siesta Users What is the meaning of Internal auxiliary supercell and how it affect the result? Please clarify I will be highly obliged. Thanking you With Regards Rajan
