Author Topic: k point sampling-reg  (Read 2003 times)

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Offline GJK

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k point sampling-reg
« on: February 27, 2014, 03:24 »
Hi,

From your tutorials and suggestions it is clear that we need to find total enegy or transmission spectrum convergence for choosing the k point along C direction.For GNR (1,1,many) with many having multiples of three.If we get total energy convergence between 150 and 180 what k points should be used?

Offline Umberto Martinez

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Re: k point sampling-reg
« Reply #1 on: February 27, 2014, 09:07 »
150 to save some computational time.

Offline GJK

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Re: k point sampling-reg
« Reply #2 on: March 2, 2014, 17:11 »
Thank you Mr. Martinez