[Pw_forum] LDA+U
Gabriele Sclauzero
sclauzer at sissa.it
Tue Mar 17 08:37:29 CET 2009
Mansoureh Pashangpour wrote:
> Dear all
> I would like to obtain phonon frequencies for Cd(OH)2 by LDA+U .But the
> code didn't work with LDA+U for phonon calculation and
Please have a look at this recent post by Matteo Cococcioni:
http://www.democritos.it/pipermail/pw_forum/2009-January/011367.html
> I just found the frequencies by LDA. Is there any way to obtain these
> frequencies by LDA+U?
In the meantime I think you can still use the old, dear frozen phonon method...
> Which physical properties can be obtain by PWscf with LDA+U except DOS
> and Bandstructure?
Forces and stress should work as well.
HTH
GS
> Thanks
> Pashangpour
>
>
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