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[abinit-forum] about kptrlen


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  • From: <hichem.bouderba@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] about kptrlen
  • Date: Tue, 7 Apr 2009 09:41:20 +0200 (CEST)

hello everybody,
in the input file documentation in kptrlen entry we can read the following:
" ... One can relate the error made by replacing the continuous integral by a
sum over k point lattice to the Fourier transform of the periodic quantity.
Erroneous contributions will appear only for the vectors in real space that
belong to the reciprocal of the k point lattice, except the origin. Moreover,
the expected size of these contributions usually decreases exponentially with
the distance. So, the length of the smallest of these real space vectors is a
measure of the accuracy of the k point grid."

can somebody be more explicit about the relation between integrals and
"erroneous contributions" ?



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