Dear Jose A.:
Thank you very much again!
Sincerely,
Mengqiu
> From: jose.torres.alo...@uam.es
> To: siesta-l@uam.es
> Date: Thu, 17 Jun 2010 17:57:26 +0200
> Subject: RE: [SIESTA-L] Who can help me!
>
> Dear Mengqiu:
>
> Transiesta is designed to give ac
Dear Mengqiu:
Transiesta is designed to give accurate
calculations of larger currents, it is designed
for the contact regime (as opposed to the tunneling
regime).
So it is not supposed to be accurate in the tunneling
regime because the description of the tunneling
barrier itself is not accurate,
Dear Jose A. Torres
> In the examples you show probably the Kx,Ky mesh is
> not converged yet. (But it seems to me in any case
> that you are getting different expressions for a numerical
> "zero" for the current.)
My system is tunneling junction with insulated barrier. Can the Transie
sedAtomsRight 4
TS.BufferAtomsRight 4
= =
==
Sincerely,
MengQiu
> From: jose.torres.alo...@uam.es
> To: siesta-l@uam.es
> Date: Thu, 17 Jun 2010 15:43:02 +0200
> Subject: RE: [SIESTA-L] Who can help me!
>
> Dear Mengqiu:
>
>
ly,
MengQiu
> From: jose.torres.alo...@uam.es
> To: siesta-l@uam.es
> Date: Thu, 17 Jun 2010 15:43:02 +0200
> Subject: RE: [SIESTA-L] Who can help me!
>
> Dear Mengqiu:
>
> There might be systems (for example if you have a
> nanowire not periodic in XY) that they
>
Dear Mengqiu:
There might be systems (for example if you have a
nanowire not periodic in XY) that they
only require one K point in XY for the correct
computation of the current.
But in general you need to specify a dense enough
mesh in XY. As you have already seen, there is an
obvious dependance
Dear Jose A. Torres：
Thank you very much again!
I also several questions for these.
>
>
> On Thu, 2010-06-17 at 11:54 +, CaiMeng-Qiu wrote:
> > Dear Jose A. Torres：
> >
> > Thank you much for your explanation in detail.
> >
> > >
> > > - Also choose a large enough numbe
Hello again,
I just briefly answer below.
Best regards
Jose A. Torres
On Thu, 2010-06-17 at 11:54 +, CaiMeng-Qiu wrote:
> Dear Jose A. Torres：
>
>Thank you much for your explanation in detail.
>
> >
> > - Also choose a large enough number of points to
> > describe the function T(
Dear Jose A. Torres：
Thank you much for your explanation in detail.
>
> - Also choose a large enough number of points to
> describe the function T(E) properly! (it may
> have sharp peaks)
Do you mean I should adopt the dense k-mesh and large value of TSTBT.NPoints?
Generally, h
Dear Mengqiu:
I think the answer is simple, but I will explain
in a bit long detail:
The parameters:
TS.TBT.Emin
TS.TBT.Emax
Define the minimum and maximum energy values
considered to compute the function "Transmission(E)"
(We are talking about the total energy of the
electrons incident to
Sorry Cai, never performed a transport calculation in my life... Maybe
someone else in the list can help you.
Good luck,
Marcos
2010/6/15 CaiMeng-Qiu
>
> Dear Marcos:
> I want to get the I-V curve. But I do not know how to decide the
> range of the parameter of TS.TBT.Emax and TS.TBT.E
Dear Marcos:
I want to get the I-V curve. But I do not know how to decide the range of
the parameter of TS.TBT.Emax and TS.TBT.Emin by the value of TS.voltage. As the
manual of Siesta-3.0-b says, the TS.TBT.Emax and TS.TBT.Emin mean
the highest and lowest value of the computed transmiss
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