[CP2K:1632] Re: Cell_optimization question

Jun Cheng chen... at googlemail.com
Thu Dec 11 18:29:40 UTC 2008


i c. Thanks

Jun

On Thu, Dec 11, 2008 at 6:19 PM, Laino Teodoro <teodor... at gmail.com>wrote:

>
> 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
> >
> > >
>
>
> >
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20081211/078afe2c/attachment.htm>


More information about the CP2K-user mailing list