[Pw_forum] elastic constant and bulk modulus

[Eyvaz Isaev]

Hi Stefano,

Thanks for the Reference. 

Bests,
Eyvaz.


--- On Mon, 1/26/09, Stefano Baroni <baroni at sissa.it> wrote:

> From: Stefano Baroni <baroni at sissa.it>
> Subject: Re: [Pw_forum] elastic constant and bulk modulus
> To: eyvaz_isaev at yahoo.com, "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Monday, January 26, 2009, 12:56 PM
> On Jan 26, 2009, at 10:49 AM, Eyvaz Isaev wrote:
> > 
> > And I am not sure whether elastic constants
> calculations in DFPT according to Hamann et al. is
> implemented. At least, I never heard about this opportunity.
> 
> Hamann et al's algorithm used to be implemented in a
> prehistoric version of QE ages before they
> "invented" it, see: PRL, 59, 2662 (1987).
> Unfortunately, it is no longer there. Anybody volunteering
> to reimplement it?
> 
> Stefano
> 
> ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National
> Simulation Center - Trieste
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