[Pw_forum] Negative frequencies at really low threshold convergence

[Stefano Baroni]

Just for the sake of linguistic accuracy, the name is PaOlo. You can address him by name ("Paolo"), or by title ("Prof."), in the latter case the title should be followed by the family name ("Prof. Giannozzi" ;-). Stefano
 
On Aug 24, 2012, at 4:18 PM, Elie M wrote:

> 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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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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