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Author Topic: k-point sampling  (Read 2806 times)

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Offline dwh

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k-point sampling
« 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.
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Offline Nordland

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Re: k-point sampling
« Reply #1 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.
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