Subject: Basis set limitations on GAMESS?

From: Gustavo de Miranda Seabra <[email-masked]>
Date: Wed, 15 Apr 1998 16:04:22 -0300

Dear all,
    I am trying to make some GAMESS calculation about the Li-F when the
atoms are very close from each other. I am using the 10s6p (Huzinaga) for
the Neon atom scaled by 25% to the fluorine anions and the 14s (Partridge)
to the Li+ ions. But GAMESS always gives me the same error message:

                    " *** ERROR, NO MORE THAN    40 GAUSSIANS PER SHELL "

    Note that I have already tryed to change the default value (it was 30
gaussians), and to change to a smaller basis set, but it has not fixed the
problem. It may be interesting to note that I also tryed to maka an F-...F-
calculations and it did work! (there are more gaussians than in the LiF
case). Does anyone know what can it be?

    Thanks very much.
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                      Gustavo de Miranda Seabra
MSc Student in Chemistry                  [email-masked]
Federal University of Pernambuco                             Brazil
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