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QuantumATK => General Questions and Answers => Topic started by: dwh on July 16, 2012, 14:13

Title: k-point sampling
Post by: dwh on July 16, 2012, 14:13

HELLO EVERYONE
k-point sampling in the basic settings for the calculation,what is its role, how can I set up and would you give me some specific regularity ? Thanks.

Title: Re: k-point sampling
Post by: Nordland on July 16, 2012, 14:54

It is a parameter to determine which Fourier component should be sampled in order to obtain the self-consistent Hamiltonian for the system.

I would suggest reading a book like http://www.amazon.com/Introduction-Solid-Physics-Charles-Kittel/dp/047141526X for more background material.