Dear sir
Would you send me the reprints of the articles listed in your mail? I am also
interested to study them.
Thanks.
Dr Mohan L Verma
D
--- On Fri, 2/7/10, Julian Niño wrote:
From: Julian Niño
Subject: Re: [SIESTA-L] Electrodes of Transiesta
To: siesta-l@uam.es
Date: Frida
Dear All,
Thank you very much.
I kill the job and restart it.
Now it work.
Thank you very much for all the time.
Best regards,
SZ
2010/7/3 shizheng wen :
> Dear All,
> Thank you very much for the time.
> When I run the TBTRANS code, it is suspending.
>
> The last few line of output by the TBTRA
Dear All,
Thank you very much for the time.
When I run the TBTRANS code, it is suspending.
The last few line of output by the TBTRANS.
"
Projection Region: atoms : [ 49;160 ]
Projection Region: states: [ 1;*** ] ;***
Starting K-Point loop for spin: 1
"
Did the scattering region is to
yes, you can see this articles:
1) http://jcp.aip.org/jcpsa6/v115/i4/p1661_s1
2) http://pubs.acs.org/doi/abs/10.1021/jp901091a
3)
http://www3.interscience.wiley.com/journal/112159306/abstract?CRETRY=1&SRETRY=0
4) http://prb.aps.org/abstract/PRB/v73/i16/e165402
5) http://iopscience.iop.org/1367
Dear All,
I have a quick question:
Can I just use several layers(i.e isolated atom clusters surrounded by a
vaccum box) of metal as the electrodes?
Thanks.
JK
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 =
Dear all:
How to get PDOS with transiesta in siesta3.0? I have included the following
part in the input.fdf file:
%block ProjectedDensityOfStates
-2.00 2.00 0.200 400 eV
%endblock ProjectedDensityOfStates
But I didn't get the corresponding result "SystemLabel.PDOS" .
Any comments will be apprec
Hi,
It turned out that the pseudo files had extra unwanted characters that
slipped while managing files. I simply deleted the characters and
everything is working fine now.
Best regards,
Andrea
> Hi,
>
> I have a system (GaN bulk) that was successfully run in a serial version
> of Siesta_1.3.
Thanks for the help everyone! Unfortunately adjusting the Mixing weight and
tolerance did not help. Switching to ACML did not help the issue either,
although it did speed up the calculation noticably (I never could get ATLAS to
work for me, but this system is a bit of a mess so oh well).
I ha
