[CP2K:347] Variable cell optimization

[Teodoro Laino]

no.. it is not yet possible.
In the meantime you can do that externally with a script (perl/ 
python, there are many on the web) using
cp2k to compute energies and stress tensor.

Teo

On 17 Oct 2007, at 21:51, Rad wrote:

>
> Hi everybody,
>
> Is it possible to do variable cell optimization using CP2K? Can
> somebody provide me with a sample input section for that?
>
> Thanks
>
> Rad
>
>
> >