I really appreciate your help. Finally I have changed the inputs based on
your advise and similar to the example of Au_100. Unfortunately, I still
receive the following error.
Here is my corrected inputs.
Thanks a lot.
k-point displ. along 1 input, could be: 0.000.50
k-point displ. alon
Like I mentioned, your lattice vectors are not parallel, see device
lattice vectors and electrode lattice vectors. They need to be parallel in
case you want to use k-points.
Den man. 3. feb. 2020 kl. 22.10 skrev Ziba Torkashvand <
zi.torkashv...@gmail.com>:
> These are my input files for the devi
These are my input files for the device and electrodes.
On Mon, Feb 3, 2020 at 9:32 AM Ziba Torkashvand
wrote:
> Thanks for your response Nick,
> Previously, I have used the following lattice vectors for the device
> %block LatticeVectors
> 24.8355890 0.0312245 -0.2325957
>0.0300392 22
Thanks for your response Nick,
Previously, I have used the following lattice vectors for the device
%block LatticeVectors
24.8355890 0.0312245 -0.2325957
0.0300392 22.4960510 -0.2979615
-0.2501458 -0.3417446 26.7881732
%endblock LatticeVectors
and
%block LatticeVectors
15.5329 0
Hi,
Sorry, I don't understand your response. I referred to the lattice vectors
in the two calculations not being parallel.
It is not due to your k-point samplings.
Den ons. 22. jan. 2020 kl. 22.01 skrev Ziba Torkashvand <
zi.torkashv...@gmail.com>:
> Actually, I just have two electrodes (in the
Physics
THE UNIVERSITY OF SYDNEY | NSW | 2006
From: siesta-l-requ...@uam.es on behalf of Ziba
Torkashvand
Sent: Wednesday, 22 January 2020 1:46 PM
To: siesta-l@uam.es
Subject: Re: [SIESTA-L] Erroneous electrode setup, check out-put
Actually, I just have two
Actually, I just have two electrodes (in the y-direction) and both of them
are perpendicular to the device region (in the z-direction). As I see in
the example of Au 111 it has the largest kpoint along the semi-infinite
direction of electrodes for the electrode run (2 2 10) which in my work is
in t
Hi,
Your 3rd electrode and device lattice vector are not parallel. Please make
sure they are parallel. :)
Den man. 20. jan. 2020 kl. 22.04 skrev Ziba Torkashvand <
zi.torkashv...@gmail.com>:
> Hello everybody
> I want to do a transiesta calculation with Siesta 4.1-b4.
> In my device, two bulk el
hi ,
i am sorry i can't able to reply right answer but i need some help. in your
above k grid block 0.000, 0.000,and 0.50 indicate which parameter or what
are their meanings.
On Tue, Jan 21, 2020 at 2:00 AM Ziba Torkashvand
wrote:
> Hello everybody
> I want to do a transiesta calculation with Si
Hello Ziba
As far as I understand the k points of electrode and scattering have to be the
same which you have not done.
Make sure of being consistent between electrode and scattering calculations in
everything
Good luck
El abed
Sent from my iPhone
On 21 Jan 2020, at 8:01 am, Ziba Torkashvand
m
Hello everybody
I want to do a transiesta calculation with Siesta 4.1-b4.
In my device, two bulk electrodes are on the top of a monolayer hexagonal
system. The transport direction is in z direction so the electrode
direction is y.
I have used kpoint sampling
1 0 0
0 20 0
0 0 40
for the electrodes a
11 matches
Mail list logo
