Thank you for the information. As I have worked with only DFT till now, it
was my concern to know how intensive configuration Kwant needs.
Ok, so it seems that CPU time is not a concern...because in DFT it takes
many hours.. Here it looks like RAM (as u said) is the bottleneck.
In DFT we talk about say less than 500 atoms, but here as you mentioned, it
is in thousands..
Thank you again,
On 03-Jan-2016 8:31 pm, "Anton Akhmerov" <anton.akhmerov+kd(a)gmail.com>
> Dear Siddheshwar Chopra,
> It strongly depends on the specific system you're solving. You can
> check out some benchmarks in the Kwant paper or run your own.
> Typically RAM is the bottleneck, and in 2D a system with size of
> around 2000x2000 should fit into a few GB, while in 3D it's maybe
> 30x30x30. The runtime for systems of such sizes will tens of minutes,
> On Tue, Dec 29, 2015 at 7:32 AM, siddheshwar chopra <sidhusai(a)gmail.com>
> > Dear Users,
> > Can anybody tell me HOW resource intensive is KWant? I mean, as compared
> > DFT calculations. For DFT, computer has to be quite powerful. Any
> > or explanation is welcomed. Especially in terms of number of atoms.
> > Regards,
> > --
> > Dr. Siddheshwar chopra,
> > M.Sc., Ph.D (Physics)
> > Assistant Professor (Physics),
> > Amity University, Noida, India.