Dear Anton, 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, Kind Regards, On 03-Jan-2016 8:31 pm, "Anton Akhmerov" <anton.akhmerov+kd@gmail.com> wrote:
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, probably.
Best, Anton
On Tue, Dec 29, 2015 at 7:32 AM, siddheshwar chopra <sidhusai@gmail.com> wrote:
Dear Users, Can anybody tell me HOW resource intensive is KWant? I mean, as compared to DFT calculations. For DFT, computer has to be quite powerful. Any suggestion 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.