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Author Topic: k-points  (Read 2992 times)

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Offline Sarvesh Agarwal

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k-points
« on: November 1, 2012, 07:29 »
hello sir,
           can you please tell me the function of K-points that we take in calculator section and how to take it for any geometry because if i take a lower value it gives wrong results and increasing it it takes too much time to simulate
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Offline zh

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Re: k-points
« Reply #1 on: November 1, 2012, 08:57 »
Please read the paper by Hendrik J. Monkhorst and James D. Pack : Phys. Rev. B 13, 5188–5192 (1976).

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Offline Sarvesh Agarwal

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Re: k-points
« Reply #2 on: November 1, 2012, 08:59 »
thanks sir!!
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