My Community

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 .

please learn about Brillouin zone sampling and integration techniques . (any solid state physics textbook will do)