Hello all, Is it possible within transiesta to calculate the transmission at certain, user specified k-points?
I have a system where most of the transmission takes place at a small region in the surface brillouin zone. Hence instead of sampling the whole BZ for the transmission, I want to confine my sampling to a small area around a single, high symmetry K-point. Actually, it is something similar to what you would do when computing the band structure in a siesta run. The option of using a Monkhorst-Pack Grid, or kgrid cutoff for this problem is not great, and I don't find in the manual a third option. Does anybody know of an alternative? I would really appreciate any help with this problem. Thanks a lot! Diana Otálvaro [email protected] Computational Material Science MESA+ Institute for Nanotechnology University of Twente Carre 4049 Postbus 217 NL-7500 AE Enschede tel: +31-53-489-2986
