[Pw_forum] does cell_dofree work?

[Lorenzo Paulatto]

In data 24 agosto 2009 alle ore 14:03:44, Pablo Aguado <paguado at gmail.com>  
ha scritto:
> I'm playing around with the cell_dofree variable and I don't manage to
> make it work. Currently I'm trying to relax only the c lattice vector
> of a tetragonal cell together with the atomic coordinates, so I use
> the following:

As far as I know it works with damped dynamics, but not with bfgs. I've  
started to implement it some time ago, but than dropped for lack of time  
and interest.

best regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***
  http://saveitalianbrains.wordpress.com/