[Pw_forum] Phonon calculations and LDA+U

Matteo Cococcioni matteo at umn.edu
Mon Jan 26 18:27:22 CET 2009


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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