[Pw_forum] k points

[Caroline]

Dear all,

I am trying to understand the significance of k points in the input file.
Can you please help me with the following questions:

1) How k points are selected? Dos it have to with the dimension of the
crystal? Say for 2 dimension crystal only two lines in K point section is
defined?

2) Or k points have to do with the numerical solution of integrals? I am
confused how to define these values, and how they are important.

3) Is there a relation between number of k points and number of atoms in
the lattice crystal?


I have read text books on this, and learned that k points need to selected
in such a way that total energy is converged.

Please help me with this.
Thanks a lot,
C.
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