[Octopus-devel] [Octopus-notify] svn commit: r6195 - in trunk: src/species testsuite by dstrubbe

[Xavier Andrade]

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".

Xavier

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.
> 
> David
> 
> 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.
>
>       Cheers,
>
>       Xavier
> 
> 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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> > Octopus-notify at tddft.org
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> >
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