[Pw_forum] Phonon calculations and LDA+U

[Eyvaz Isaev]

Hi Matteo,

Thanks for the clarification. 

Bests,
Eyvaz.


--- On Mon, 1/26/09, Matteo Cococcioni <matteo at umn.edu> wrote:

> From: Matteo Cococcioni <matteo at umn.edu>
> Subject: Re: [Pw_forum] Phonon calculations and LDA+U
> To: eyvaz_isaev at yahoo.com, "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Monday, January 26, 2009, 8:27 PM
> The implementation of the LDA+U into the phonon code is
> still under construction. Andrea Floris, Stefano de
> Gironcoli and I have been
> working at this project quite much in the last months and I
> think we are now much closer to a working implementation.
> There are still
> few (hopefully small) things that need to be clarified and
> then it will be ready.
> We will announce when the implementation will be ported
> into the CVS version of the code.
> 
> Regards,
> 
> Matteo
> 
> 
> 
> Eyvaz Isaev wrote:
> > Dear Adam,
> > 
> > As far as know it is still under testing. I remember,
> Matteo told me that I am the first in the queue list for
> this one.
> > 
> > Bests,
> > Eyvaz.
> > 
> >
> -------------------------------------------------------------------
> > Prof. Eyvaz Isaev, Theoretical Physics Department,
> Moscow State Institute of Steel & Alloys, Russia,
> Department of Physics, Chemistry, and Biology (IFM),
> Linkoping University, Sweden Condensed Matter Theory Group,
> Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se,
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
> > 
> > 
> > --- On Mon, 1/26/09, Adam Jacobsson
> <adams_mejl at hotmail.com> wrote:
> > 
> >   
> >> From: Adam Jacobsson
> <adams_mejl at hotmail.com>
> >> Subject: [Pw_forum] Phonon calculations and LDA+U
> >> To: pw_forum at pwscf.org
> >> Date: Monday, January 26, 2009, 6:44 PM
> >> Dear all,
> >> 
> >> I wonder about the status of the implementation of
> LDA+U
> >> into the phonon code. Has it been implemented in
> the newest
> >> version or is it still an unsolved issue?
> >> 
> >> Thanks in advance,
> >> Adam Jacobsson
> >> Master Thesis student
> >> Uppsala University
> >> 
> >>
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