Re: [SIESTA-L] Still problems with transiesta/tbtrans and semi conductor

2011-08-30 Por tôpico Jan Sommer
I don't expect a transmission at Fermilevel, but the bandgap is around +-0.4 eV. So there should be an transmission of at least 1 (probably more) to the left and right of the bandgap borders. Best Regards, Jan Zitat von Yunpeng Wang : as you mentioned, your system is semiconducting, ho

Re: [SIESTA-L] Still problems with transiesta/tbtrans and semi conductor

2011-08-30 Por tôpico Yunpeng Wang
as you mentioned, your system is semiconducting, how could you expect a large transmission around fermi level? On Mon, Aug 29, 2011 at 10:32 PM, Jan Sommer < jan.som...@s2008.tu-chemnitz.de> wrote: > Dear all, > > I'm still experiencing troubles with transiesta respectively tbtrans. > The system

Re: [SIESTA-L] Still problems with transiesta/tbtrans and semi conductor

2011-08-30 Por tôpico Gabriele Penazzi
Hi Jan, did you to check if you get a correct density of states with a siesta run on the same structure, just to be sure that you can assure that the problem is in the transiesta and-or pyTBT? Gabriele Penazzi 2011/8/29 Jan Sommer : > Dear all, > > I'm still experiencing troubles with transies

[SIESTA-L] Still problems with transiesta/tbtrans and semi conductor

2011-08-29 Por tôpico Jan Sommer
Dear all, I'm still experiencing troubles with transiesta respectively tbtrans. The system I'm currently working with is a semi conducting carbon nanotube. I want to get the transmission spectrum for it. The transiesta run (electrodes are the same cnt) finishes without errors, also pyTBT (I use