calculated. I found some papers, e.g.
> http://www.nature.com/nchem/journal/v2/n3/full/nchem.546.html
>
> <http://www.nature.com/nchem/journal/v2/n3/full/nchem.546.html>
> but I'm not sure about this.
>
> Thanks and best regards,
> Luk
>
>
>
>
> --
> Kind regards Nick
>
>
>
>
>
> --
> Kind regards Nick
>
>
--
Gabriele Penazzi
mobile: +49 (0) 151 19650383
skype: gabriele.penazzi
On 06/17/2013 09:28 AM, Drogar wrote:
>
> Dear siesta user
>
> Is there any Code to give us coordinate atomic of a arbitrary (n,m)
> nanotube?(Or any program)
>
Hi,
you can do that at least with:
GDIS http://gdis.sourceforge.net/
VMD http://www.ks.uiuc.edu/Research/vmd/
ASE https://wiki.fysik.dt
On 06/13/2013 08:24 PM, Artem Baskin wrote:
Thank you Nick and Gabriele for your kind and very enlightening
answers and comments. I really appreciate them.
I have another question that might be of interest for the audience
(and of course for me). My question is how to calculate and visualize
th
Dear Artem,
you already got a very exhaustive answer, but I like to add couple of
remarks as I find these points of interest.
On 04/25/2013 07:14 PM, Artem Baskin wrote:
> Dear SIESTA/TRANSIESTA users,
>
> I have recently read the paper (PRB 81, 205437) and found it very
> interesting and enligh
On 04/09/2013 04:11 PM, Nguyen Huu Chuong wrote:
> Dear TranSIESTA users,
>
> I would like to know how to "correctly" compute the conductance after a
> transiesta run from the transmission. Most paper simply used G=G_0*T(E_f)
> where G_0 is the quantum of conductance and E_f the Fermi level and T
On 09/27/2012 09:21 PM, Nguyen Huu Chuong wrote:
Hello,
I have a question about the 1D chain electrode as in the tutorial:
http://dipc.ehu.es/frederiksen/tstutorial/index.php/1D_Si_chain
Can the results of such calculation be considered as physically meaningful? I
mean for example what would
On 07/20/2012 06:07 PM, Shengjie Tang wrote:
Hi, dear friends
Here I met one small problem, from the .AVTRANS file, I can get the
relationship of Transmission coefficient(T) and Total Energy(E). Now,
just like the attached figure, how can I get the relationship between
Transmission Coefficien
use any plotting utility, I'm
sure Ubuntu is plenty of stuff like that. If you don't know where to
start from, give a look to xmgrace (
http://plasma-gate.weizmann.ac.il/Grace/), which should be in Ubuntu
repositories.
Regards,
Gabriele Penazzi
<http://www.home.uni-osnabrueck.de/apostnik/Lectures/SIESTA-visual.pdf>
start to see relevant
different already for a small bias.
So there's not really a yes or no answer, it actually depends on your
system
Regards,
Gabriele Penazzi
On 04/12/2012 04:52 PM, Juan Manuel Aguiar wrote:
> Dear Siesta Users,
> I have a very simple question for those
different method/code (same as ref.
1), so unluckily I cannot give you any practical help.
Good luck!
Gabriele Penazzi
>
> Carlo Motta
> /Ph.D. Student in Materials Science/
> Email: c.mott...@campus.unimib.it <mailto:c.mott...@campus.unimib.it>
> University Office Phone :
Dear David
2012/1/6 David Egger :
> Hi Riccardo,
>
>
> On 01/05/2012 08:43 PM, Riccardo Rurali wrote:
>>
>>
>> As far as I've understood if you have 2 you are sure things are ok, but
>> having 3 does not mean things are wrong. I think (again, as far as I've
>> understood) that if you have 2 the ma
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
e encountered a similar issue.
I'm also wondering that the transiesta-enabled compilation can affect
calculations without transport.
Regards,
Gabriele
2011/8/11 Gabriele Penazzi :
> Hi everybody,
>
> I'm trying to run siesta-3.0-rc2, and I'm not being able to run the test
eally strange results on a CNT-CNT system with transiesta,
and I'm wondering whether they can be related to some
compiler/numerical error.
If there's any suggestion, or you can forward me to some similar
problem in the mailing list (i didn't really find something fitting),
I would re
14 matches
Mail list logo
