Re: Calculation using both Hay-Wadt and Dolg ECPs

Posted by Roland Lindh on June 07, 2001 at 17:32:37:

In Reply to: Calculation using both Hay-Wadt and Dolg ECPs posted by Nicolas Suaud on May 29, 2001 at 16:03:06:

Dear Nicolas,
technically it is of course possible. If it is reasonable is a totally different matter
I with my limited experience can not answer. However, I guess that for the very same reason
it is not advisible to mix let say DZP and TZP basis sets one should be very careful mixing
Hay-Wadt and the Dolg ECPs.

-roland

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Comments:
: Dear Nicolas, : technically it is of course possible. If it is reasonable is a totally different matter : I with my limited experience can not answer. However, I guess that for the very same reason : it is not advisible to mix let say DZP and TZP basis sets one should be very careful mixing : Hay-Wadt and the Dolg ECPs. : -roland

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