[CP2K:1631] Cell_optimization question

Laino Teodoro teodor... at gmail.com
Thu Dec 11 19:19:18 CET 2008


no.. it is not possible at the moment.
Teo

On 11 Dec 2008, at 19:18, Jun wrote:

>
> Hi all,
>
> I notice angles can be fixed in cell optimization in the current cp2k
> version. I am wondering if it is possible to only relax one cell
> vector with the other two fixed.
> Thanks in advance.
>
> Cheers,
> Jun
>
> >




More information about the CP2K-user mailing list