[Pw_forum] inhomogeneous K-point sampling

[Stefano Baroni]

On May 27, 2009, at 8:44 PM, Aritz Leonardo Liceranzu wrote:

> Hi all,

Hi Leonardo:

> So, the question would be, is it stupid to do the following?
>
> Take a huge grid, let us say (14,14,14) and get rid of points that are
> at farther than a certain threshold from Gamma, normalizing the
> weights of the "new" grid so that they sum one.

This not stupid, of course. It may be wrong, though. There are many  
different ways of "normalizing the new wights of the new grid so that  
they sum to one". Some of them correct (within a given accuracy),  
others plain wrong. It all depends on how you choose the weights and  
on the specific integral you aim at approximating with a weighted sum.  
Ever read a textbook on numerical integration? This and similar issues  
are treated, I think, in many textbooks on numerical analysis. Please,  
take a glance at one of them and then revert to us.

S.

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
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