On Fri, 28 Jan 2011 18:10:24 +0100, Wilfredo Ibarra Hern?ndez <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 & Universit? P&M Curie T23-C13/23-5e27 - 4 place Jussieu - 75252 Paris Cedex5 phone: +33 (0)144 27 5211 www: http://www-int.impmc.upmc.fr/~paulatto/
