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]> 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 > > >
