[Octopus-devel] [Octopus-notify] svn commit: r6195 - in trunk: src/species testsuite by dstrubbe
xavier at tddft.org
Tue Dec 8 10:05:05 WET 2009
No, the pseudopotential is not localized, there is a part that is
local and goes like -z_val/r for large r (we use something
like -erf(a*r)/r). The rest of the local part is localized, and
this what I was calling "localized".
On Tue, 8 Dec 2009, David Strubbe wrote:
> Maybe I am misunderstanding, but isn't the entire pseudopotential localized, i.e. having a finite extent? Then there are local V(r) and non-local V(r,r')
> components. They both have a radius associated with them which is printed out, thus they are localized.
> On Tue, Dec 8, 2009 at 12:22 AM, Xavier Andrade <xavier at tddft.org> wrote:
> Hi David,
> Local and localized are two different things, the pseudo is divided in the
> local part, that has a long range and a localized part, and the non-local
> one. Perhaps we could use a better name instead of localized
> (local-localized?), but local is not correct.
> On Mon, 7 Dec 2009, octopus-notify at tddft.org wrote:
> > Author: dstrubbe
> > Date: Mon Dec 7 21:37:45 2009
> > New Revision: 6195
> > Changeset: http://www.tddft.org/trac/octopus/changeset/6195
> > Modified:
> > trunk/src/basic/unit_system.F90
> > trunk/src/species/species.F90
> > trunk/testsuite/oct-run_testsuite.in
> > Log:
> > *) Alphabetized modules
> > *) A correction of terminology of "local" vs "localized"
> > *) The testsuite shouldn't pretend everything is OK when all tests are skipped.
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