[Q-e-developers] contributing to QE

[Filippo Spiga]

Ciao Matteo,

giusto per curiosita' su quali vecchie versioni di QE si basano queste estensioni? Si tratta di modifiche molto invasive?

Saluti
F.


On Oct 4, 2012, at 6:04 AM, Matteo Cococcioni <matteo at umn.edu> wrote:
> Dear all,
> 
> I would be happy to contribute some algorithms recently developed in
> my group (and implemented in older versions of QE) to the Quantum
> Espresso package. In particular, we have some extensions of the
> (collinear) LDA+U
> that could be implemented in the official version of QE:
> 1) LDA+U+V (J. Phys.: Condens. Matter 22 (2010) 055602)
> 2) LDA+U+J (PHYSICAL REVIEW B 84, 115108 (2011))
> 3) LDA+U implementation of DFPT (PHYSICAL REVIEW B 84, 161102(R) (2011)
> 
> Best regards,
> 
> Matteo

--
Mr. Filippo SPIGA, M.Sc., Ph.D. Candidate 
CADMOS - Chair of Numerical Algorithms and HPC (ANCHP)
École Polytechnique Fédérale de Lausanne (EPFL)
http://anchp.epfl.ch ~ http://filippospiga.me ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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