Thank you Alex, I'll try it. Mahmoud
On Oct 6, 2013, at 2:50, "Alex Pak" <[email protected]<mailto:[email protected]>> wrote: 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]<mailto:[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]<mailto:[email protected]> <mailto:[email protected]>
