[CP2K:1428] Core and valence contributions to the Hyperfine parameters

[Juerg Hutter]

Hi

cp2k calculates the hyperfine parameters using a special
(PAW) separation of the density. If you want your own
separation of contribution you will have to change the
source code.

regards

Juerg

----------------------------------------------------------
Juerg Hutter                   Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich           E-mail: hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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On Thu, 9 Oct 2008, Ahmad wrote:

>
> Hello everyone,
>
> I hope that everything goes well with you.
>
> I am going to calculate the core and valance contributions to the
> Hyperfine parameters by cp2k.
>
> Is it possible by this code? If it is possible, do you know which
> commands shall I use?
>
> Your helps are greatly appreciated.
>
> Sincerely yours,
>
> Ahmad
>
> >
>