Dear SCM and adf-list members,
        I am trying to correct for BSSE in some calculations using
ghost orbitals. The calculations use relativistic core potentials
as calculated with the DIRAC utility. How do I use these in
the ghost orbital calculations?
If I neglect the relativistic corrections in the ghost orbital part
then the overall interaction energies come out positive (i.e.
the complexes that I am calculating are un-bound).
        I have played around with the input files for DIRAC, but
get error messages all the time.
        Anyone managed this?
                Cheers,
                        Dave

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Dr. David W. Price,       Tel: +44 (0)118 9875123  extn 7415
Department of Chemistry,  Fax: +44 (0)118 9316331
University of Reading,    mailto:d.w.price_at_reading.ac.uk
Whiteknights, 
READING                http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
RG6 6AD 
U.K.
 
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