Re: [Kwant] Starting with a sample
Hi Ravish, This is where you are supposed to start. http://kwant-project.org/doc/1/tutorial/ And of course this paper http://downloads.kwant-project.org/doc/kwant-paper.pdf This section will give you an idea how to 'tell' KWANT your Hamiltonian. http://kwant-project.org/doc/1/tutorial/tutorial1 Now you must realise KWANT is not DFT, so optimisation or relaxation does not appear in the picture. It is the geometry rather than the coordinate that really matters. I would suggest to go through some basic tight binding text before you jump into KWANT. And remember, the most essential part of tight binding model is the Hamiltonian. -- Sumit Ghosh Spintronics Theory Group PSE Division KAUST -- ------------------------------ This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.
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Sumit Ghosh