Re: [SIESTA-L] TranSiesta

[Mehmet Topsakal]

I'm not a SALESMAN. I don't have any atk license or any relationship with it. I just wanted to help 
someone on this forum related with transport calculations. I never intended to suggest users of this 
forum to use ATK instead of SIESTA. Even, I'm really looking forward to Siesta 3.0.


I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
I'm NOT "the advertiser" !
...



On 06/29/2009 05:07 PM, Jose A. wrote:

Dear All

I guess you all know that SIESTA
has been always for the benefit
of users, and for open and fair
information.

Since, quite on the contrary,
advertising stands for the benefit
of the advertiser and for biased and
not fair information, we think that
we should not make this forum a
placeholder for advertising (not to be
confused with open and fair information
which is encouraged).

In any case, if you (users of this forum)
need some extra ads in your email box,
let us know and we might just think of
exploiting this aspect :o)

Yours

Jose A. Torres,
on behalf of the SIESTA Team






Dear All,

I disagree with Dr. Torres:
in case Siesta is not having some method built in it is useful for
users to know in which codes the desired option is present.

Open competition between codes should benefit users.

terveisin, Markus


--www=http://www.iki.fi/markus.kaukonen
--markus.kauko...@iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---





--
Mensaje enviado mediante una herramienta Webmail integrada en *El Rincon*:
-  https://rincon.uam.es--


--
* * * * * * * * * * * * * * * * * * * * * * * * * *
*   Mehmet Topsakal   *
*   Ph.D. Student *
*   UNAM-Institute of Materials Science and   *
*   Nanotechnology. Bilkent University.   *
*   Room: UNAM-106. 06800 Bilkent, Ankara/Türkiye *
*   Tel: +90 312 290 3527 Fax: +90 312 266 4365   *
*   Web: www.unam.bilkent.edu.tr/~topsakal*
*   E-mail: topsa...@nano.org.tr  *
*   meto...@gmail.com *
*   UNAM  : www.nano.org.tr   *
* * * * * * * * * * * * * * * * * * * * * * * * * *

Re: [SIESTA-L] TranSiesta

[Jose A.]

Dear All

I guess you all know that SIESTA
has been always for the benefit 
of users, and for open and fair
information. 

Since, quite on the contrary, 
advertising stands for the benefit 
of the advertiser and for biased and 
not fair information, we think that 
we should not make this forum a 
placeholder for advertising (not to be 
confused with open and fair information 
which is encouraged).

In any case, if you (users of this forum) 
need some extra ads in your email box,
let us know and we might just think of
exploiting this aspect :o)

Yours

Jose A. Torres,
on behalf of the SIESTA Team





> Dear All,
> 
> I disagree with Dr. Torres:
> in case Siesta is not having some method built in it is useful for
> users to know in which codes the desired option is present.
> 
> Open competition between codes should benefit users.
> 
> terveisin, Markus
> 
> 
> --www=http://www.iki.fi/markus.kaukonen
> --markus.kauko...@iki.fi
> --office: N102 Nano building FIN-02015 TKK
> --home: Viinirinne 3 F 12, 02630 Espoo, FIN
> --tel: h 045-1242068, w 4518694, 050-5112785
> --Rikos ei kannata, eika maatalous
> --Suomessa. (Paimio 1998) ---
> 
> 


--
Mensaje enviado mediante una herramienta Webmail integrada en *El Rincon*:
- https://rincon.uam.es --

Re: [SIESTA-L] TranSiesta

[N H]

I dont think is wise using expressions like "stupid blackbox" in any
scientific forum.

On Mon, Jun 29, 2009 at 3:55 PM, lan haiping  wrote:

> I donot think it is wise to advertise a stupid black box .
>
>
> On Mon, Jun 29, 2009 at 8:51 PM, Markus Kaukonen 
> wrote:
>
>> Dear All,
>>
>> I disagree with Dr. Torres:
>> in case Siesta is not having some method built in it is useful for
>> users to know in which codes the desired option is present.
>>
>> Open competition between codes should benefit users.
>>
>> terveisin, Markus
>>
>>
>> --www=http://www.iki.fi/markus.kaukonen
>> --markus.kauko...@iki.fi
>> --office: N102 Nano building FIN-02015 TKK
>> --home: Viinirinne 3 F 12, 02630 Espoo, FIN
>> --tel: h 045-1242068, w 4518694, 050-5112785
>> --Rikos ei kannata, eika maatalous
>> --Suomessa. (Paimio 1998) ---
>>
>
>
>
> --
> Hai-Ping Lan
> Department of Electronics ,
> Peking University , Bejing, 100871
> lanhaip...@gmail.com, hp...@pku.edu.cn
>

Re: [SIESTA-L] TranSiesta

[lan haiping]

I donot think it is wise to advertise a stupid black box .

On Mon, Jun 29, 2009 at 8:51 PM, Markus Kaukonen wrote:

> Dear All,
>
> I disagree with Dr. Torres:
> in case Siesta is not having some method built in it is useful for
> users to know in which codes the desired option is present.
>
> Open competition between codes should benefit users.
>
> terveisin, Markus
>
>
> --www=http://www.iki.fi/markus.kaukonen
> --markus.kauko...@iki.fi
> --office: N102 Nano building FIN-02015 TKK
> --home: Viinirinne 3 F 12, 02630 Espoo, FIN
> --tel: h 045-1242068, w 4518694, 050-5112785
> --Rikos ei kannata, eika maatalous
> --Suomessa. (Paimio 1998) ---
>



-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaip...@gmail.com, hp...@pku.edu.cn

Re: [SIESTA-L] TranSiesta

[Markus Kaukonen]

Dear All,

I disagree with Dr. Torres:
in case Siesta is not having some method built in it is useful for
users to know in which codes the desired option is present.

Open competition between codes should benefit users.

terveisin, Markus


--www=http://www.iki.fi/markus.kaukonen
--markus.kauko...@iki.fi
--office: N102 Nano building FIN-02015 TKK
--home: Viinirinne 3 F 12, 02630 Espoo, FIN
--tel: h 045-1242068, w 4518694, 050-5112785
--Rikos ei kannata, eika maatalous
--Suomessa. (Paimio 1998) ---

Re: [SIESTA-L] TranSiesta

[Jose A.]

Dear Mehmet:

To be fair, you forgot to mention that to enjoy the gui, you have to be ready 
to pay periodically for the atk license (quite a non negligible amount).

But this is really not the place to advertise any code! 
So please let us not do so in the future

Yours,

Jose A. Torres
--
Jose A. Torres, Ph.D
Manager of the SIESTA Software
 



> Instead of waiting for 3.0, I think you should try ATK 
(http://www.quantumwise.com/). It
has a gui 
> and it is very easy to learn. I took me only 3 days to compile/learn/run it. 
Also you can
gain lots 
> of usefull knowledge about transport calculations from the atk manual.
> 
> 
> 
> On 06/28/2009 02:02 PM, Reza Kalantari wrote:
> > Dear Emilio
> >
> >
> > Hi,
> >
> > Dose TranSiesta have any limitation? For example number of atoms or type
> > of possible atom? I am working on a nanobiosensor and its mechanism
> > which is based on electrical conductance transaction mechanism such as a
> > field effect transistor. Is it possible let me know that I can use
> > TranSiesta for simulation of quantum transport in this system?
> >
> > Do you have any idea about Siesta version 3 release time?
> >
> >
> > Best regrads
> >
> > Reza
> >
> >
> >
> > Emilio Artacho wrote:
> >
> > francisco tiano wrote:
> >  > Thank you for the response, excuse me, how soon?
> >
> > as I understand it should be a matter of days, but the precise date
> > depends
> > on details I don't know.
> >
> >  > Because I need it for my pre-grade thesis, and if already I have the
> >  > license of 2.0 I need to ask for the license again to obtain 3.0?
> >
> > If you have a license you don't need a new one.
> > You should see it there when you login in the siesta web site
> > after it has been announced.
> >
> > Emilio
> >
> >
> >
> >  >
> >  > 2009/6/26 Emilio Artacho  >  mailto:ea...@cam.ac.uk>>>
> >  >
> >  > Hi Francisco
> >  >
> >  > The 3.0 version (should come up very shortly) has it included
> >  > in the package.
> >  >
> >  > Emilio
> >  >
> >  >
> >  > francisco tiano wrote:
> >  >
> >  > Hello, I need a favor, someone knows where I can obtain the
> >  > TranSiesta?, I already have the license of the Siesta but I
> >  > need to calculate properties of transport and i can't find the
> >  > program in any part.
> >  >
> >  >
> >  > --
> >  > Emilio Artacho
> >  >
> >  > Department of Earth Sciences, University of Cambridge
> >  > Downing Street, Cambridge CB2 3EQ, UK
> >  > Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
> >  > emi...@esc.cam.ac.uk 
> > mailto:emi...@esc.cam.ac.uk>>,
> >  > http://www.esc.cam.ac.uk/~emilio
> > >
> >  >
> >  >
> >
> > --
> > Emilio Artacho
> >
> > Department of Earth Sciences, University of Cambridge
> > Downing Street, Cambridge CB2 3EQ, UK
> > Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
> > emi...@esc.cam.ac.uk ,
> > http://www.esc.cam.ac.uk/~emilio
> >
> >
> > --
> > Eradatmand
> > Reza Kalantari-Nezhad
> > PhD. Student
> > AmirKabir University of Technology
> > Home: +98-21-77465193
> > Mobile: +98-912-7633204
> > Mobile: +98-935-2578543
> 
> -- 
> * * * * * * * * * * * * * * * * * * * * * * * * * *
> *   Mehmet Topsakal   *
> *   Ph.D. Student *
> *   UNAM-Institute of Materials Science and   *
> *   Nanotechnology. Bilkent University.   *
> *   Room: UNAM-106. 06800 Bilkent, Ankara/Türkiye *
> *   Tel: +90 312 290 3527 Fax: +90 312 266 4365   *
> *   Web: www.unam.bilkent.edu.tr/~topsakal*
> *   E-mail: topsa...@nano.org.tr  *
> *   meto...@gmail.com *
> *   UNAM  : www.nano.org.tr   *
> * * * * * * * * * * * * * * * * * * * * * * * * * *
> 
> 


--
Mensaje enviado mediante una herramienta Webmail integrada en *El Rincon*:
- https://rincon.uam.es --

Re: [SIESTA-L] TranSiesta

[Emilio Artacho]

On Jun 28 2009, Reza Kalantari wrote:

Hi, Dose TranSiesta have any limitation? For example number of atoms or 
type of possible atom? I am working on a nanobiosensor and its mechanism 
which is based on electrical conductance transaction mechanism such as a 
field effect transistor. Is it possible let me know that I can use 
TranSiesta for simulation of quantum transport in this system?


Transiesta does non-equilibrium ballistic electron transport calculations 
(using Green's functions) as described in the relevant papers. The 
underlying Hamiltonian and basis sets are the same as for siesta. Scaling 
and computer needs are slightly different than for siesta: The hamiltonian 
matrix-element calculation is essentially unchanged, but obtaining the 
transport relies on matrix inversions rather than the usual solvers in 
siesta. The key to your question however is whether electron transport in 
your nano-bio systems will be ballistic or not, which is quite a 
fundamental question rather than technical, and entirely up to the 
scientists in your project to face.


Yours

Emilio

--
Emilio Artacho

Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
emi...@esc.cam.ac.uk, http://www.esc.cam.ac.uk/~emilio

Re: [SIESTA-L] TranSiesta

[Mehmet Topsakal]

Instead of waiting for 3.0, I think you should try ATK (http://www.quantumwise.com/). It has a gui 
and it is very easy to learn. I took me only 3 days to compile/learn/run it. Also you can gain lots 
of usefull knowledge about transport calculations from the atk manual.




On 06/28/2009 02:02 PM, Reza Kalantari wrote:

Dear Emilio


Hi,

Dose TranSiesta have any limitation? For example number of atoms or type
of possible atom? I am working on a nanobiosensor and its mechanism
which is based on electrical conductance transaction mechanism such as a
field effect transistor. Is it possible let me know that I can use
TranSiesta for simulation of quantum transport in this system?

Do you have any idea about Siesta version 3 release time?


Best regrads

Reza



Emilio Artacho wrote:

francisco tiano wrote:
 > Thank you for the response, excuse me, how soon?

as I understand it should be a matter of days, but the precise date
depends
on details I don't know.

 > Because I need it for my pre-grade thesis, and if already I have the
 > license of 2.0 I need to ask for the license again to obtain 3.0?

If you have a license you don't need a new one.
You should see it there when you login in the siesta web site
after it has been announced.

Emilio



 >
 > 2009/6/26 Emilio Artacho mailto:ea...@cam.ac.uk> mailto:ea...@cam.ac.uk>>>
 >
 > Hi Francisco
 >
 > The 3.0 version (should come up very shortly) has it included
 > in the package.
 >
 > Emilio
 >
 >
 > francisco tiano wrote:
 >
 > Hello, I need a favor, someone knows where I can obtain the
 > TranSiesta?, I already have the license of the Siesta but I
 > need to calculate properties of transport and i can't find the
 > program in any part.
 >
 >
 > --
 > Emilio Artacho
 >
 > Department of Earth Sciences, University of Cambridge
 > Downing Street, Cambridge CB2 3EQ, UK
 > Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
 > emi...@esc.cam.ac.uk 
mailto:emi...@esc.cam.ac.uk>>,
 > http://www.esc.cam.ac.uk/~emilio
>
 >
 >

--
Emilio Artacho

Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
emi...@esc.cam.ac.uk ,
http://www.esc.cam.ac.uk/~emilio


--
Eradatmand
Reza Kalantari-Nezhad
PhD. Student
AmirKabir University of Technology
Home: +98-21-77465193
Mobile: +98-912-7633204
Mobile: +98-935-2578543


--
* * * * * * * * * * * * * * * * * * * * * * * * * *
*   Mehmet Topsakal   *
*   Ph.D. Student *
*   UNAM-Institute of Materials Science and   *
*   Nanotechnology. Bilkent University.   *
*   Room: UNAM-106. 06800 Bilkent, Ankara/Türkiye *
*   Tel: +90 312 290 3527 Fax: +90 312 266 4365   *
*   Web: www.unam.bilkent.edu.tr/~topsakal*
*   E-mail: topsa...@nano.org.tr  *
*   meto...@gmail.com *
*   UNAM  : www.nano.org.tr   *
* * * * * * * * * * * * * * * * * * * * * * * * * *

Re: [SIESTA-L] TranSiesta

[Reza Kalantari]

Dear Emilio

Hi, 
Dose TranSiesta have any limitation? For example number of atoms or type of 
possible atom? I am working on a nanobiosensor and its mechanism which is based 
on electrical conductance transaction mechanism such as a field effect 
transistor. Is it possible let me know that I can use TranSiesta for simulation 
of quantum transport in this system?
Do you have any idea about Siesta version 3 release time?

Best regrads
Reza


Emilio Artacho wrote:

> francisco tiano wrote:
> > Thank you for the response, excuse me, how soon? 
> 
> as I understand it should be a matter of days, but the precise date depends
> on details I don't know.
> 
> > Because I need it for my pre-grade thesis, and if already I have the 
> > license of 2.0 I need to ask for the license again to obtain 3.0?
> 
> If you have a license you don't need a new one.
> You should see it there when you login in the siesta web site
> after it has been announced.
> 
> Emilio
> 
> 
> 
> >
> > 2009/6/26 Emilio Artacho >
> >
> > Hi Francisco
> >
> > The 3.0 version (should come up very shortly) has it included
> > in the package.
> >
> > Emilio
> >
> >
> > francisco tiano wrote:
> >
> > Hello, I need a favor, someone knows where I can obtain the
> > TranSiesta?, I already have the license of the Siesta but I
> > need to calculate properties of transport and i can't find the
> > program in any part.
> >
> >
> > -- 
> > Emilio Artacho
> >
> > Department of Earth Sciences, University of Cambridge
> > Downing Street, Cambridge CB2 3EQ, UK
> > Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
> > emi...@esc.cam.ac.uk ,
> > http://www.esc.cam.ac.uk/~emilio 
> >
> >
> 
> --
> Emilio Artacho
> 
> Department of Earth Sciences, University of Cambridge
> Downing Street, Cambridge CB2 3EQ, UK
> Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
> emi...@esc.cam.ac.uk, http://www.esc.cam.ac.uk/~emilio
> 
-- 
Eradatmand 
Reza Kalantari-Nezhad 
PhD. Student 
AmirKabir University of Technology 
Home: +98-21-77465193 
Mobile: +98-912-7633204
Mobile: +98-935-2578543

Re: [SIESTA-L] TranSiesta

[Emilio Artacho]

francisco tiano wrote:
Thank you for the response, excuse me, how soon? 


as I understand it should be a matter of days, but the precise date depends
on details I don't know.

Because I need it for my pre-grade thesis, and if already I have the 
license of 2.0 I need to ask for the license again to obtain 3.0?


If you have a license you don't need a new one.
You should see it there when you login in the siesta web site
after it has been announced.

Emilio





2009/6/26 Emilio Artacho mailto:ea...@cam.ac.uk>>

Hi Francisco

The 3.0 version (should come up very shortly) has it included
in the package.

Emilio


francisco tiano wrote:

Hello, I need a favor, someone knows where I can obtain the
TranSiesta?, I already have the license of the Siesta but I
need to calculate properties of transport and i can't find the
program in any part.


-- 
Emilio Artacho


Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
emi...@esc.cam.ac.uk ,
http://www.esc.cam.ac.uk/~emilio 




--
Emilio Artacho

Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
emi...@esc.cam.ac.uk, http://www.esc.cam.ac.uk/~emilio

Re: [SIESTA-L] TranSiesta

[francisco tiano]

Thank you for the response, excuse me, how soon? Because I need it for my
pre-grade thesis, and if already I have the license of 2.0 I need to ask for
the license again to obtain 3.0?

2009/6/26 Emilio Artacho 

> Hi Francisco
>
> The 3.0 version (should come up very shortly) has it included
> in the package.
>
> Emilio
>
>
> francisco tiano wrote:
>
>> Hello, I need a favor, someone knows where I can obtain the TranSiesta?, I
>> already have the license of the Siesta but I need to calculate properties of
>> transport and i can't find the program in any part.
>>
>
> --
> Emilio Artacho
>
> Department of Earth Sciences, University of Cambridge
> Downing Street, Cambridge CB2 3EQ, UK
> Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
> emi...@esc.cam.ac.uk, 
> http://www.esc.cam.ac.uk/~emilio
>

Re: [SIESTA-L] TranSiesta

[Emilio Artacho]

Hi Francisco

The 3.0 version (should come up very shortly) has it included
in the package.

Emilio

francisco tiano wrote:
Hello, I need a favor, someone knows where I can obtain the 
TranSiesta?, I already have the license of the Siesta but I need to 
calculate properties of transport and i can't find the program in any 
part.


--
Emilio Artacho

Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
emi...@esc.cam.ac.uk, http://www.esc.cam.ac.uk/~emilio

Re: [SIESTA-L] Transiesta

[Emilio Artacho]

TransiestaC is related to Atomistix
TranSiesta is not. TranSiesta is related to Siesta.

Emilio

Hyungjun Kim wrote:

Hi, Siesta Users!

When I read a paper, many people use a TranSiesta.
Can I know what this is?
It seems that a Siesta package for transport property calculation.
Is it a free package?
Is it related to the Atomistix?

Thanks in advance.

Hyungjun
  


--
Emilio Artacho

Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax  (+44/0) 1223 333450
[EMAIL PROTECTED], http://www.esc.cam.ac.uk/~emilio