Dear Gabriele,
It's very likely as you said. I took a (12,0) 5 layers long for the
system and a 1 layer long for leads; I expected not have neglegible
effect for a bias of 0.4 V and be able to cunclude if running
transiesta is necessary or not. I should admit that I thought this
comparison would be
Dear Juan Manuel,
Guanping explanation is right. I would say in general, it should be the
same whether the local charges in the system don't change significantly
under bias.
This is more likely to happen in a system like a CNT than, for example,
in a single molecule device, where you should start
___
> 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"
> 抄送：
>
> Dear Siesta Users,
> I have a very simple question for those regular users of transiesta
&g
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"
抄送：
Dear Siesta Users,
I have a very simple question for those regular users of transiesta
and tbtrans: for plotting IV characteris
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 tbt
