[Pw_forum] strange results for phonon frequencies.

[Elie M]

> the phonon code, though. Try to make two phonon calculations
> with the same cutoffs, pseudopotentials, everything, for a simpler
> system (e.g. diamond). 
will do that. Thank you. Will also check the relaxed system as was also pointed out earlier by prof. Axel.
Elie 


> From: giannozz at democritos.it
> Date: Sun, 2 Sep 2012 21:18:10 +0200
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] strange results for phonon frequencies.
> 
> On Sep 2, 2012, at 6:09 , Elie M wrote:
> > What is the reason for those LARGE negative values at the beginning  
> > and the LARGE ones at the end?
> >
> it is impossible to answer without the data and without trying to
> reproduce them. Not that it irs possible even with the data:
> reproducing a large phonon calculation requires effort and
> computer time. It looks like the wrong file were read from
> the phonon code, though. Try to make two phonon calculations
> with the same cutoffs, pseudopotentials, everything, for a simpler
> system (e.g. diamond).
> 
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
> 
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