[Pw_forum] generating k point weights

[Manoj Srivastava]

Dear Lorenzo, 
 Thanks a lot. I will look into the code. In the mean time I found a paper
which talks about generation of special k points and evaluation of their
weight. Its by Chadi & Cohen, Phys. Rev. B, 8,5747-5753 (1973). They have
some examples in it too.

Regards, 
Manoj Srivastava
University of Florida, 
Gainesville, FL

 On Mon, 3 Aug 2009, Lorenzo Paulatto wrote:

> In data 31 luglio 2009 alle ore 16:25:39, Manoj Srivastava  
> <manoj at phys.ufl.edu> ha scritto:
> 
> > Dear All,
> >  I was wondering if someone can tell me, how to generate k point weights
> > in the BZ. Reference of a paper would be great!
> 
> Dear Manoj,
> you can find the algorithm tha tgenerates points and weights in  
> pwtools/kpoints.f
> The obvious reference is the original article from Monkhorst and Pack:  
> Phys. Rev. B 13, 5188 - 5192 (1976), although I don't know if they give an  
> explicit formulation for the weights there (weights depend on how many  
> symmetry-equivalent copies of a point are present in the set, not on the  
> generation algorithm).
> 
> cheers
> 
> 
> -- 
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> skype: paulatz
> www:   http://people.sissa.it/~paulatto/
> 
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