n DENEB formats samples of any
number of atoms.
It will therefore allow you to launch simulations for remote execution with any
number of atoms.
Prices of the full license depend on the time requested (yearly, permanent,
etc), on your institution: academic, industry, etc, and the number of req
nto a C60 is the other video (that shows the loading of an MD
animation) you can find it on
http://www.youtube.com/watch?NR=1&v=xzmlwYQcWMA&feature=endscreen
I hope it helps
Regards
Jose A
===
Jose A. Torres, PhD
Atelgraphics SL
Faraday 7, primera planta
ICLAD building, Campus Cantoblanc
Dear Zahra Talebi
You can directly load an visualize any fdf using "deneb", it is a new software
for windows and linux that
you can freely download from the webpage of atelgraphics, they have also some
demonstration videos
in their youtube channel (search for "atelgraphics" in youtube).
It wo
also found
in Src/Docs and at the same download area.
Yours,
Jose A. on behalf of the SIESTA Team
--
Jose A. Torres,
SIESTA Manager
PS: release notes:
===
Release Notes for SIESTA-3.0-rc2, July 5, 2010
GENERAL NOTES
Since the release of Siesta-3.0-rc1 in
it from this moment.
Yours
Jose A.
--
Jose A. Torres, Ph.D.
SIESTA Manager
On 7/3/2010 12:38 AM, Antoine Pairet wrote:
Dear Siesta developers,
I think a found a bug in SIESTA when computing bandstructures.
It occurs when two conditions are met:
* a structure is read from a STRUCT_IN file (UseStru
Dear Guo-min He
Do you obtain the same results with siesta-2.0.2
(stable version?)
And in such case, do you obtain the same with siesta-3.0?
(some fixes regard memory management)
Yours
--
Jose A. Torres,
SIESTA Manager
On 7/1/2010 5:44 AM, hgm20090101 wrote:
Maximum dynamic memory allocated
is going to be uploaded as well
pretty soon (it is in testing phase)
Yours,
--
Jose A. Torres, Ph.D.
SIESTA Manager
On 7/1/2010 11:05 AM, deepak srinivasan wrote:
Sir
Thanks for the reply. I could not find siesta 3.0 b in the downloads
page. Can you please give from the link where i can
example use a nickname,
or use a cardinal such as "Andrei Postnikov number 2"
It is just to avoid confusion ... I would ask him to do it,
but he was here first :o)
Thank you in advance,
Yours,
Jose A.
--
Jose A. Torres, Ph.D.
SIESTA Manager
On 6/25/2010 6:17 AM, Postnikov Andrei wrote:
s possible (currents of about
100 nA per atom or larger) and try to conclude
the physics of the system from there.
Yours
Jose A.
On Thu, 2010-06-17 at 15:08 +, CaiMeng-Qiu wrote:
> Dear Jose A. Torres
>
> > In the examples you show probably the Kx,Ky mesh is
> > not con
s 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.)
Yours
--
Jose A. Torres, Ph.D.
SIESTA Manager
On Thu, 2010-06-17 at 13:04 +, CaiMeng-Qiu wrote:
&
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
>
x and
TS.Voltage are independent parameters.
This means that, for a given bias voltage
and as longas the interval (TS.TBT.Emin, TS.TBT.Emax)
is large enough (in the sense explained above),
the current computed should not change if you vary
TS.TBT.Emin, TS.TBT.Emax.
Yours
Jose A. Torres, Ph.
Dear Mehmet Topsakal:
Thank you for this information, but yes you are right
it is a little bit off the Mailing List purposes and topic.
In any case, I hope you manage to get your extra
quota increased, all the best luck for that.
Yours
Jose A.
On 6/11/2010 10:37 PM, Mehmet Topsakal wrote:
Hi
Dear Akbar:
The fact that you got a SIESTA account means that
you got a license, since no accounts are conceded
unless you obtain a license (but for eventual mistakes
in the process)
Yours
Jose A. Torres
On Sat, Jun 12, 2010 at 11:13 AM, akbar jahangiri wrote:
Dear Jose A. Torres
ps
produce some publication.
See all details in the License documents on line.
Yours,
Jose A. Torres, Ph.D.
SIESTA Manager
On 6/5/2010 1:45 PM, akbar jahangiri wrote:
Dear Users and Developers
I was wondering if I would like to publish a paper which was written
by using Siesta, or TranSiesta wha
siesta-2.0.4
in 2010. But this will not imply that siesta-2.0.4 would
suddenly incorporate all the new features gone into
siesta-3.0 or siesta-trunk (several years of extra
development). If we did so, it would not be siesta-2.0.x
anymore.
Yours
Jose A.
--
Jose A. Torres, Ph.D.
SIESTA Manager
Dear all:
Reminder: Today is the last day to send your
application for a place in this course.
For detailed information, such as the programme,
and nice photos of the venue, see its web-page:
http://www.siesta.unican.es/
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On 08
Dear Kyoung:
When it comes to I-V characteristics of molecular
size devices, comparisons to experimental results
is not straight forward.
Even if there is only ballistic transport in the
experimental device (which is so for metallic point
contacts and low biases to a 99% accuracy), there
are man
,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
release.notes_3.0_rc1.gz
Description: GNU Zip compressed data
Dear Bartek:
Thanks a lot for this. It certainly looks like you caught
a bug.
We will certainly fix it very soon and let you all know
the patch.
Yours,
Jose A.
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On Fri, 2010-04-09 at 09:44 +0200, Szyja, B.M. wrote:
> Hello ag
Dear both:
You can find that material in the wiki of the course.
http://wiki.tstutorial.dreamhosters.com/wiki/Main_Page
Go and click at "The Program" to obtain individual session materials
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On Sun, 2010-04-04 at 1
Dear Vega Lew:
A Fortran-90 binding to CUDA would be needed to do that. Since
it has not appeared as of yet, there is no realistic posibility to
do that porting, so far.
Yours
Jose A.
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On Thu, 2010-04-01 at 15:00 +0800, vega lew wrote
registration process.
So, should our request have not arrived to you
properly, please let us know (no need to do it
via the Mailing list, a message to sie...@uam.es
is enough).
Yours,
Jose A.
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
Tel: +34 914973805
On 12/03/2010 15:27, a.s
this in that
sense.
Yours
Jose A.
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On 26/02/2010 11:59, Дудник Майя wrote:
Dear friends,
I read manual& can`t understand how can I calculated TGNR with one bias on the two
ends& other to Third end.
Can I take volt-ampere-charact
Thank you Marcos for pointing this out,
We are going to check it out in all versions
and let you know ...
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
tel: +34 914973805
---
fromMarcos Veríssimo Alves
reply-tosiesta-l@uam.es
to siesta-l@uam.es
date
.
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
tel: +34 914973805
fromMarcos Veríssimo Alves
reply-tosiesta-l@uam.es
tosiesta-l@uam.es
dateThu, Jan 7, 2010 at 4:21 PM
subject[SIESTA-L] Doubt on LDA+U
Hi all,
I have a doubt on the LDA+U implementation in
seems to be of
general interest.
Yours,
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
On Wed, Nov 4, 2009 at 2:24 PM, Jeffei Xu wrote:
> Dear Jose,
>
> Thank you very much for your reply.
> For transport calculation, gate voltage is sure an important parameter.
> I
reported about it.
So this is for now the status of the problem, I will report soon updating
about it.
Yours
Jose A
--
Jose A. Torres, Ph.D.
Manager of the SIESTA Software
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