[Pw_forum] K Points and Band structures

[Stefano de Gironcoli]

Shaptrishi Sharma wrote:
> Hi QEs users,
>
> Can anybody please help me in understanding what are the k points ?? I 
> have read books a lot but its difficult to understand.
Please ask to any solid state physicist nearby.

> And also  how do we choose k points while performing a band structure 
> calculation in quantum espresso when we are having 330 atoms.
If you still have QE specific doubts after you have understood Bloch 
theorem, Real and Reciprocal Space lattices, Brilloun Zone and the like 
please  formulate them again, trying to be specific.
> Thanks
> S
Please provide your affilaition.

Best regards,

Stefano de Gironcoli - SISSA and DEMOCRITOS

> ------------------------------------------------------------------------
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>