[Pw_forum] elastic properties of orthorhombic structure

[Eyvaz Isaev]

Dear Galami,

> Dear Kalami,

Ooops, I have misprinted your name. Sorry.

Bests,
Eyvaz.

--- On Fri, 5/15/09, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

> From: Eyvaz Isaev <eyvaz_isaev at yahoo.com>
> Subject: Re: [Pw_forum] elastic properties of orthorhombic structure
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, May 15, 2009, 2:48 PM
> 
> Dear Kalami,
> 
> Of course, you can do that in QE (pscf), but applying
> strains and calculating total energies for these strained
> lattices.
> There is no direct way to calculate elastic constants in QE
> (I mean prepare an input file and submit a job). 
> Please find the paper "First principles elastic constants
> and electronic structure of \alpha-Pt2Si and PtSi, O.
> Beckstein, J.E. Klepeis, G.L.W. Hart, and O.Pankratov" in
> Phys.Rev.B or cond-mat in arXiv.org (0008200v2) about
> strains to be applied.
> 
> Please do not forget provide your affiliation.
> 
> Bests,
> Eyvaz.
> 
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev, 
> Theoretical Physics Department, Moscow State Institute of
> Steel & Alloys, Russia, 
> Department of Physics, Chemistry, and Biology (IFM),
> Linkoping University, Sweden 
> Condensed Matter Theory Group, Uppsala University, Sweden 
> Eyvaz.Isaev at fysik.uu.se,
> isaev at ifm.liu.se,
> eyvaz_isaev at yahoo.com
> 
> 
> --- On Fri, 5/15/09, kada galami <physolde at yahoo.fr>
> wrote:
> 
> > From: kada galami <physolde at yahoo.fr>
> > Subject: [Pw_forum] elastic properties of orthorhombic
> structure
> > To: Pw_forum at pwscf.org
> > Date: Friday, May 15, 2009, 2:14 PM
> > 
> > dear all
> > 
> >  i want to know if we can calculate elastic
> properties
> > of orthorhombic structure with pwscf code.
> > 
> > thank all.
> > 
> > 
> > 
> > 
> > 
> > 
> > 
> >       
> > -----Inline Attachment Follows-----
> > 
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> 
>       
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