I just learned that if we set the KPOINT ,for example, as 4x4x4 then the # of mesh points in a unit cell is 64 and that if I increase the number , we can get more accurate value.
Can you tell me what exactly happens at each point?
And I am curious if too high kpoint number can spoil the calculation .
What happens at each kpoint ?
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hcchoi
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What happens at each kpoint ?
Last edited by hcchoi on Thu Nov 30, 2006 7:38 am, edited 1 time in total.
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admin
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What happens at each kpoint ?
please learn about Brillouin zone sampling and integration techniques . (any solid state physics textbook will do)
Last edited by admin on Thu Nov 30, 2006 2:27 pm, edited 1 time in total.