[Pw_forum] Fixed volume in high pressure calculations

[Lorenzo Paulatto]

On Fri, 28 Jan 2011 18:10:24 +0100, Wilfredo Ibarra Hernández  
<wibarrah at gmail.com> wrote:
> I mean, I want relax the lattice parameters and the atomic positions, but
> for a given volume value.

yes, it is possible. Check the documentation and browse the forum archives  
for details (parameter cell_dofree, I think). It is also possible to relax  
the cell to a automatically certain target pressure (I don't remember the  
name of the input variable, check Doc/INPUT_PW.txt).

regards


-- 
Lorenzo Paulatto (IdR)
IMPMC - CNRS UMR 7590 & Université P&M Curie
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