[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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| Gabriele Sclauzero, PhD Student                  |
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