Yes, that's correct. -Alex
On Mon, Aug 26, 2013 at 2:28 PM, mahmoud ali <[email protected]> wrote: > Hi, > In transiesta manual they are saying the atoms positions in the left > (right) EL must be equivalent to the left (right) electrode part of the SR > setup. > My question what if I make the positions of left (right) EL the same as > the left (right) SR. So for a certain CNT case I used one unit cell for > left and right EL then I copied the the same positions to use in the SR, is > this correct? > > > thank you! > -- *Alexander J. Pak* Graduate Research Assistant - The Hwang Group Department of Chemical Engineering Cockrell School of Engineering The University of Texas at Austin 1 University Station, C0400 Austin, Texas 78712 CPE 4.422 | O: (512) 471-1839 M: (917) 637-0413 | [email protected] <[email protected]>
