[Pw_forum] Negative frequencies at really low threshold convergence

Elie M elie.moujaes at hotmail.co.uk
Fri Aug 24 16:18:54 CEST 2012


Professor Paulo,
thanks for your reply. Will do that.
Elie

> From: giannozz at democritos.it
> Date: Fri, 24 Aug 2012 12:06:56 +0200
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] Negative frequencies at really low threshold	convergence
> 
> 
> On Aug 23, 2012, at 20:46 , Elie M wrote:
> 
> >  I still get that the three first values of the frequencies are  
> > negative.
> > Does this confirm the instability of the system?
> 
> likely, but you should first of all verify the effect of applying the
> Acoustic Sum Rule.
> 
> 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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