[Pw_forum] generating k point weights

Lorenzo Paulatto paulatto at sissa.it
Mon Aug 3 13:47:54 CEST 2009


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


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Lorenzo Paulatto
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