[Pw_forum] LSDA+U phonons

Gabriele Sclauzero sclauzer at sissa.it
Thu May 28 10:07:58 CEST 2009



Ali Tavana wrote:
> Dear friends,
> 
> Does any body know whether phonon calculations can be carried out for spin-LDA (LSDA)
> or not? It seems that it is not implemented in QE or maybe its implemented but some one
> should do something unusual to use it ;)? (I saw papers by Corso, about spin polarized
> calculation of phonons with QE)

I think that the LSDA phonon calculation can be carried out without any need to do 
"something unusual". BTW, which paper by Dal Corso are you refering to?
If you meant phonos within LSDA+U, they have not been implemented.

GS

> 
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