In the electrode run you need large number of k points. In the tbtrans run you need very large k points even if your system was converged with less k points.
-mh Sent from my iPhone On Nov 6, 2016, at 10:22 AM, Zara Nosh <[email protected]<mailto:[email protected]>> wrote: Dear all, For transiesta calculations, we have to use high k-point in the transport direction (z) to simulate the semi-infinite electrodes. Do we need high kz, just for electrodes' calculations? or for both electrodes and device? Can we use normal kz (like usual siesta calculations) for device part? For example if our system is large in z direction, about 60 Ang, can we use just 1 k point for kz? I really appreciate your help in advance. With best regards, -Zara Tern uni
