Dear Guangping, Thank you for shearing your experience with me, it was very kind from you !
Juan Manuel On Fri, Apr 13, 2012 at 2:50 AM, Guangping Zhang <zgp...@126.com> wrote: > Dear Juan Manuel, > > In order to get a more selfconsistent results, I think you should do > transiesta for very bias. But as for your system, this effect maybe can be > negelected, so you get two results with no significant difference and this > is usually at low bias. If you do want to use the TSHS file for zero bias to > generate the current for every bias, indeed you need not to run TBtrans > for every bias but zero. You can use the transimission function of zero bias > to do the integeral using different up and low boudary. Usually, at this > region [-V/2-30k_bT, V/2+30k_bT]. And then multiply the results by e/h. > > Guangping > > 2012-04-13 > ________________________________ > Guangping Zhang > ________________________________ > 发件人：Juan Manuel Aguiar > 发送时间：2012-04-12 22:52 > 主题：[SIESTA-L] IV characteristics > 收件人："siesta-l"<siesta-l@uam.es> > 抄送： > > Dear Siesta Users, > I have a very simple question for those regular users of transiesta > and tbtrans: for plotting IV characteristics; do I have to run > transiesta for every bias? > I've done a test with a small system (a single wall CNT) and I found > no difference between running transiesta and then tbtrans for every > bias or just running transiesta for 0 bias and then tbtrans for all > the bias values. > I think that this question is answerd easyly: yes or no. Let me know > if I had to deliver details of the calculation I expect to do. > > Juan Manuel
