[CP2K:347] Variable cell optimization

Teodoro Laino teodor... at gmail.com
Wed Oct 17 19:56:33 UTC 2007

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.


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
> >

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