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Re: [abinit-forum] total number of k-point


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  • From: Xavier Gonze <xavier.gonze@uclouvain.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] total number of k-point
  • Date: Fri, 25 Dec 2009 17:26:45 +0100


On 25 Dec 2009, at 17:03, hichem.bouderba@gmail.com wrote:

hello,
it's about k kpoint grid:
suppose I define the k point grid with ngkpt array I will get a total number of
ngkpt(1) x ngkpt(2) x ngkpt(3) k-point.
now if I let abinit to chose a k point grid for me via kptrlen. it gives a
super cell in the real space defined with kptrlatt which is not, generally,
diagonal. so how one can get the total number of k-point as nkpt gives only the
number in the IBZ.

It is the determinant of kptrlatt
X.




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