PC GAMESS-related discussion club

Fumihito Mohri
qzg00677@nifty.com

>Thus, you need both the ab-initio-EFP and EFP-EFP Pauli repulsion terms.
Oh, this is "as I expected".

>Thus, you need to adjust some (initially guessed) parameters of
>repulsion manually using a set of QC calculations like Morokuma
>decomposition, etc...

I see.

>As far as I remember, there should be some program available
>which was developed and used by the authors of the EFP model
>to fit repulsive terms for water and other molecules.
I will seek the programs.
Does someone know the programs? -> All the users.

Best regards,
Fumihito Mohri