Try the transiesta calculation using the different k-point meshes first. Then use the two different *.TSHS files in separate tbtrans calculations.
On Sun, Oct 6, 2013 at 3:14 AM, mahmoud ali <[email protected]> wrote: > Hi all, > I have tried to see how the transmission changes with respect to the > k-points used in tbtrans calculation, so first I used: > > 1 0 0 0.0 > 0 1 0 0.0 > 0 0 4 0.0 > > then I changed it to > > 1 0 0 0.0 > 0 1 0 0.0 > 0 0 40 0.5 > But I have not seen any difference between the two plots of T vs E. > > So how the transmission depends on k points? Any help? > > Mahmoud > -- *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]>
