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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.
- [abinit-forum] total number of k-point, hichem.bouderba, 12/25/2009
- Re: [abinit-forum] total number of k-point, Xavier Gonze, 12/25/2009
- Re: Re: [abinit-forum] total number of k-point, hichem.bouderba, 12/26/2009
- Re: [abinit-forum] total number of k-point, Xavier Gonze, 12/26/2009
- Re: Re: [abinit-forum] total number of k-point, hichem.bouderba, 12/31/2009
- Re: [abinit-forum] total number of k-point, Xavier Gonze, 12/26/2009
- Re: Re: [abinit-forum] total number of k-point, hichem.bouderba, 12/26/2009
- Re: [abinit-forum] total number of k-point, Xavier Gonze, 12/25/2009
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