[adf-list]核心基础的默认值是什么

Alexei Yakovlev. yakovlev在scm.com
星期四2014年9月4日11:58:10

Dear Kris,

On 04/09/2014 11:18, K.Radacki wrote:
> Dear  *,
> I have quite simple question concerning transition metals.
> Are these two definitions equivalent?
No. The default core is large.

Kind regards,
Alexei
> BASIS
>   type TZ2P
>   core none
> END
>
> BASIS
>   type TZ2P
> END
>
>
> Best wishes, Kris
>
>
> *Dr. Krzysztof Radacki*
> Chemical Crystallography 	
> Institute of Inorganic Chemistry
> University of Wuerzburg
> Am Hubland, 97074 Wuerzburg, Germany 	Phone: +49 931 31-83521
> Fax:     +49 931 31-83521-0
> K.Radacki at uni-wuerzburg.de <mailto:K.Radacki at uni-wuerzburg.de>
>
>
>
>
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