[Pw_forum] grid of spacing k-vectors

[Gabriele Sclauzero]

Dear Éric,

   I would say that, for a uniformly spaced grid of k-points, specifying the number of k-points is equivalent to specify the grid spacing (along each basis vector of the reciprocal space independently). Since you know the direct lattice vectors, then you can get the length of the reciprocal lattice vectors, which is the only thing missing.


Gabriele


Il giorno 05/mag/2011, alle ore 16.14, Eric Germaneau ha scritto:

> Dear all,
> 
> I'm wondering whether it's possible to generate k-vectors for the Brillouin sampling using 
> a grid of spacing instead of a number of vectors.
> Thank you,
> 
>                           Éric.
> 
> -- 
> Be the change you wish to see in the world
> — Mahatma Gandhi —
> 
> Dr. Éric Germaneau
> 
> College of Physical Sciences
> Graduate University of Chinese Academy of Sciences
> Yuquan Road 19A
> Beijing 100049
> China
> 
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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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