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]> 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]> > 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 >> >> >> >
