forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- 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" ?
- [abinit-forum] about kptrlen, hichem.bouderba, 04/07/2009
- Re: [abinit-forum] about kptrlen, matthieu verstraete, 04/07/2009
- Re: [abinit-forum] about kptrlen, hichem bouderba, 04/08/2009
- Re: [abinit-forum] about kptrlen, Josef Zwanziger, 04/08/2009
- Re: [abinit-forum] about kptrlen, hichem bouderba, 04/09/2009
- Re: [abinit-forum] about kptrlen, Josef Zwanziger, 04/08/2009
- Re: [abinit-forum] about kptrlen, hichem bouderba, 04/08/2009
- Re: [abinit-forum] about kptrlen, matthieu verstraete, 04/07/2009
Archive powered by MHonArc 2.6.15.