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[Abedalhasan Breidi <a.breidi@hotmail.com>]

thanks

you mean to apply external hydrostatic pressure on a cubical structure one should write:
 
 strtarget  -a -a -a 0 0 0

where a is the magnitude of applied pressure in Ha/bohr^3 , and the negative sign indicates that the pressure is external
while 0 0 0 indicates that the pressure applied is a hydrostatic one (symmetric from the all faces)??     

--------------------------------------------------------------------------------------------------
 Abedalhasan BREIDI
 PhD student in Condensed Matter
 Université de Metz - Institut de Physique
 LABORATOIRE DE PHYSIQUE DES MILIEUX DENSES
 Adresse:1 Boulevard Arago- BP 87811
 57078 METZ CEDEX 3 - FRANCE
 http://www.univ-metz.fr/recherche/labos/lpmd/
 Abedalhasan.breidi@univ-metz.fr
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> Date: Wed, 21 Oct 2009 08:39:28 -0300
> From: jzwanzig@gmail.com
> To: forum@abinit.org
> Subject: Re: [abinit-forum] what to write in your input file to obtain pressure
>
> To apply pressure use the strtarget variable in the form strtarget a a
> a 0 0 0 (see the documentation, and note the units are atomic and the
> stress is internal, so opposite sign of external). Final unit cell
> volume is output as ucvol.
>
> On Wednesday, October 21, 2009, Abedalhasan Breidi <a.breidi@hotmail.com> wrote:
> >
> >
> >
> >
> >
> > Dear abinit users
> > what is the form of the block needed to apply hydrostatic pressure on a  system, and where to look (in the *.out file) to find the new  volume  due to this applied pressure.  Any  *.in example is welcomed.
> >  I appreciate any help.
> >
> > thanks in advance
> > --------------------------------------------------------------------------------------------------
> >  Abedalhasan BREIDI
> >  PhD student in Condensed Matter
> >  Université de Metz - Institut de Physique
> >  LABORATOIRE DE PHYSIQUE DES MILIEUX DENSES
> >  Adresse:1 Boulevard Arago- BP 87811
> >  57078 METZ CEDEX 3 - FRANCE
> >  http://www.univ-metz.fr/recherche/labos/lpmd/
> >  Abedalhasan.breidi@univ-metz.fr
> > ----------------------------------------------------------------------------------------------------
> >
> >
> >
> > Windows Live: Make it easier for your friends to see what you’re up to on Facebook. <http://www.microsoft.com/middleeast/windows/windowslive/see-it-in-action/social-network-basics.aspx?ocid=PID23461::T:WLMTAGL:ON:WL:en-xm:SI_SB_2:092009>
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>
> --
> Josef W. Zwanziger
> Professor of Chemistry
> Canada Research Chair in NMR Studies of Materials
> Director, Nuclear Magnetic Resonance Research Resource (NMR-3)
> Dalhousie University
> Halifax, NS B3H 4J3 Canada
> tel: +1 (902) 494-1960
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