Hi Riya,
Here is my standard SIESTA reference.
<http://dx.doi.org/10.1088/0953-8984/14/11/302>
You should also remember to cite it for academic work.
Enjoy,
Mads
On 07/10/15 21:48, Riya Rogers wrote:
Thanks for your reply.
I started using Siesta but I am facing problem in basis function
(which basis function with what values to use) is there any
documentation or book regarding basis function n pseudo potentials?
Regards
Riya
On Fri, Oct 2, 2015 at 12:25 PM, I. Camps <[email protected]
<mailto:[email protected]>> wrote:
Hello Riya,
Both softwares have implemented DFT method for periodical system
with the help of pseudopotentials and also can do transport
calculations using Green non-equilibrium functions (the ATK use
the same methodology as implemented in SIESTA).
The main difference is that ATK have a graphical user interface
(GUI) to prepare your calculations and also to visualize your
results.
In the case of SIESTA you have to use other tools some are
distributed with SIESTA and other ones you have to
download/compile separately (they are SIESTA independent).
For using ATK you have to pay (that´s why you can not use it out
of your university campus).
For using SIESTA, you only have to download from the site, compile
it and run your calculations, in any computer with Linux environment.
If you would like to know how they are different, I recommend you
go through they site and using a sheet of paper, make two columns,
and write down they features.
[]'s,
@mps
On Fri, Oct 2, 2015 at 12:58 PM, Riya Rogers
<[email protected] <mailto:[email protected]>> wrote:
Hello everyone
I am a using siesta for my ATK toolkit for my project work but
its only available inside my university campus.
I get to know about siesta and transiesta from web search. Can
I use siesta/transiesta for analysis of electrical behavior
MoS2 and interactions with metal atoms instead of ATK.
Basically I want to know the pros and cons of both. I will be
highly obliged by your help.
Regards
Riya
