[Pw_forum] phonon with LSDA+U

Matteo Cococcioni matteo at umn.edu
Tue Aug 23 22:25:35 CEST 2011

Dear Hanghui,

the lsda+ U has been implemented in the phonon code, but not ported on the
current version yet.
we need some more time for this. hopefully this will be done soon.



On Tue, Aug 23, 2011 at 3:15 PM, hanghui chen <chenhanghuipwscf at gmail.com>wrote:

> To Quantum Espresso community:
>      It seems that in version 4.2 phonon calculations can not be performed
> with LSDA+U. Is there any fundamental conflict between density functional
> perturbation theory and LSDA+U? Or is it just that this part is not
> implemented in PWscf yet? Is there any plan that this part will be
> implemented in near future?
>      Thank you very much.
> Hanghui Chen
> Department of Physics
> Yale University
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Matteo Cococcioni
Department of Chemical Engineering and Materials Science,
University of Minnesota
421 Washington Av. SE
Minneapolis, MN 55455
Tel. +1 612 624 9056    Fax +1 612 626 7246
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