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[Josef Zwanziger <jzwanzig@gmail.com>]

That's right, in fact to apply hydrostatic pressure to any cell that's
what you would write. The entries are the stress tensor entries in
Voigt notation (sigma_11, sigma_22, sigma_33, sigma_23, sigma_13,
sigma_12, the first 3 are the longitudinal parts and the last three
are the shear parts).

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
fax: +1 (902) 494-1867
web: http://jwz.chem.dal.ca
jzwanzig@gmail.com, jzwanzig@dal.ca



On Wed, Oct 21, 2009 at 9:53 AM, Abedalhasan Breidi
<a.breidi@hotmail.com> wrote:
> 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
> ----------------------------------------------------------------------------------------------------
>
>
>
>
>> 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
>> >
>> > ----------------------------------------------------------------------------------------------------
>> >
>> >
>> >
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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
>> fax: +1 (902) 494-1867
>> web: http://jwz.chem.dal.ca
>> jzwanzig@gmail.com, jzwanzig@dal.ca
>
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