[CP2K:1512] variable cell optimization

[Teodoro Laino]

Hi Rad,
It is not implemented yet. At the moment symmetry is not taken into  
account.
Teo

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Teodoro Laino
Zurich Switzerland

Contact info:
Tel.:     http://www.jajah.com/Teo
E-mail: teo... at laino.eu
              teodor... at gmail.com
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On 30 Oct 2008, at 15:42, Rad <rad.... at arl.army.mil> wrote:

>
> Hi,
>
> I have a question regarding the implementation of variable cell
> optimization in cp2k. I would like to know whether space group
> symmetry is preserved (contrained) during the optimization process.
> are there any flags related to this to turn on or off?
>
> Thanks
> Rad
> >