GU: ECPs and Gamess

[joubert@ext.jussieu.fr (Laurent Joubert)]

Dear Netters,

I'm actually working on heavy atoms complexes with Stuttgart ECPs and Gaussian.
Now, I would like to use Gamess US.
With these ECPs, I could perform RHF calculations (32 electrons).
(it works normally with Gaussian)

But the Gamess program reads first the data; and with all electrons, it
cannot perform a RHF calculation. (111 electrons).
It seems it doesn't take account of the "ECP=read" keyword because it
believes there are 111 electrons !

So, I don't know how to resolve this problem and do my RHF calculation with
only the 32 valence electrons.
It seems very curious that I should perform my calculation with the
electronic configuration of an "all electrons" calculation.

thanks in advance for your answers.

Laurent Joubert

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                   Laurent JOUBERT (PhD student)

          Ecole Nationale Superieure de Chimie de Paris
      Laboratoire d'Electrochimie et de Chimie Analytique
                  11, rue Pierre et Marie Curie
                   75231 PARIS CEDEX 05- FRANCE

                        Tel : 44-27-66-94
                        Fax : 44-27-67-50

                  E-Mail : joubert@ext.jussieu.fr
               WWW site : http://www.enscp.jussieu.fr
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