[Octopus-devel] [Octopus-notify] svn commit: r4969 - trunk/src/states by xavier
xavier at tddft.org
Thu Feb 19 10:59:53 WET 2009
Well, I don't really know how this works, but probably you are right. This
thing of d%spin_channels, d%nspin, d%dim and d%nik is a bit confusing.
On Thu, 19 Feb 2009, alberto.castro at tddft.org wrote:
> 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
>> Bugfix: After Miguel's commit  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.
>> Octopus-notify mailing list
>> Octopus-notify at tddft.org
> 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
> Octopus-devel mailing list
> Octopus-devel at tddft.org
More information about the Octopus-devel