[Octopus-devel] [Octopus-notify] svn commit: r4969 - trunk/src/states by xavier

[alberto.castro at tddft.org]

Hi,

I am a bit confused with this change. In the case of spinors, rho has
four components; the two first hold the spin-diagonal part, and the
other two the off-diagonal, right? Shouldn't we add the charge of the
core correction only to the diagonal part?

Cheers, Alberto.

On Thu, 19 Feb 2009, octopus-notify at tddft.org wrote:

>      Author: xavier
>        Date: Thu Feb 19 10:23:44 2009
> New Revision: 4969
>   Changeset: http://www.tddft.org/trac/octopus/changeset/4969
>
> Modified:
>   trunk/src/states/states.F90
>
> Log:
> Bugfix: After Miguel's commit [4921] the spinor tests started failing.
> This fixes it, it seems to me that there was a previous bug for
> systems with core corrections and spinors that Miguel's commit
> extended to all systems with spinors.
>
> It would be nice it someone could review my changes.
>
>
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> Octopus-notify mailing list
> Octopus-notify at tddft.org
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>

======================================================================
Dr. Alberto Castro

Institut fur Theoretisch Physik, Freie Universitat Berlin.
Arnimallee, 14, Berlin 14195 (Deutschland)

Tel:   +49 30 83853028
Fax:   +49 30 83855258
skype: alberto_c_barrigon
email: alberto at physik.fu-berlin.de
======================================================================