[Pw_forum] Negative pressure during vc-relax

[Elie Moujaes]

Dear Profs Gionazzi and Kucukbenli,

 

Thanks very much for your suggestions. I will be revising my input and work accordingly.

 

reagrds

 

Elie Moujaes

University of Nottingham

NG7 2RD 

UK
 
> Date: Mon, 12 Jul 2010 15:48:55 +0200
> From: giannozz at democritos.it
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] Negative pressure during vc-relax
> 
> Paolo Giannozzi wrote:
> 
> >> As you can see I have used a convergence threshold for electrons of the 
> >> order of 10^-2 
> > 
> > way too small
> 
> I meant: too big, you should use something like the
> default (10^{-6})
> 
> P.
> -- 
> Paolo Giannozzi, Democritos and University of Udine, Italy
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