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

[Xavier Andrade]

Hi,

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.

Cheers,

Xavier

On Thu, 19 Feb 2009, alberto.castro at tddft.org wrote:

>
> 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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>
> ======================================================================
> 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
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