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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