[Pw_forum] problem with convergence during SCF-procedure

[Alexej Mazheika]

On Wed, Oct 22, 2008 at 6:53 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> Alexej Mazheika wrote:
>
> > I tried to use mixing_beta 0.3, mixing_ndim 10, mixing_mode = 'local-TF'
> > and I changed the diagonalization to 'diis'.
>
> really? it doesn't exist any longer, since several versions
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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Yes, really. I use the version 4.0.1, there are such options in this
version.

Alex Mazheika, Research Institute for phys. and chem. problems, Minsk,
Belarus
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