[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
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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