[Octopus-users] HELP: split operator method does not work?

[Miguel Marques]

  dear Sherif,

  For several years now that the split-operator does not work. The
problem was due to the non-local parts of the pseudopotential. At a
certain point in time, we changed the way they were handled, and we did
not have the patience to update the split-operator... as no one usually
uses split-operator as other methods are much more efficient, no one
fixed it (it is a nice little project, BTW ;))

  cheers,
  Miguel

Sherif Tawfik wrote:
> Hi all!
> 
> I have compiled octopus with fftw3 support, yet it is not running with
> the split operator method. Why is that? I saw in one of the threads in
> the mailing list that this problem appeared in octopus ver 3.0 because
> there was a bug in the split operator code anyways. Is this still the case?
> 
> Regards,
> Sherif
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> Octopus-users mailing list
> Octopus-users at tddft.org
> http://www.tddft.org/mailman/listinfo/octopus-users


-- 
Dr. Miguel A. L. Marques
marques at tddft.org

Laboratoire de Physique de la Matière Condensée et Nanostructures
(LPMCN) - Université Lyon I
Bâtiment Brillouin, Domaine scientifique de la DOUA
69622 Villeurbanne Cedex
Tel +33 (0)4 72448187
Fax +33 (0)4 72432648