>Dear angelo,
>
>In my experience, the order of the different atoms in the corepotential-file
>(TAPE12) should be the same as the order in ATOMS...END, and also all
>different atoms have to be included in the corepotential-file, so I guess
>also the Pt-ghost atom has to be included. Hope this helps!
>
>Regards,
>
>Jan-Willem Handgraaf

I have tried to include the corepotential but this does not generate the
ghost atom....this is my create input.

######################################3

#!/bin/sh
$ADFBIN/dirac -n 1 < $ADFRESOURCES/Dirac/H
rm logfile
$ADFBIN/dirac -n 1 < $ADFRESOURCES/Dirac/C.1s
rm logfile
$ADFBIN/dirac -n 1 < $ADFRESOURCES/Dirac/O.1s
rm logfile
$ADFBIN/dirac -n 1 < $ADFRESOURCES/Dirac/Pt.4f
rm logfile
mv TAPE12 $WORKDIR/t12rel
####
$ADFBIN/adf -n 1 << eor1
create H file=$ADFRESOURCES/ZORA/DZP/H
xc
lda vwn
gga becke perdew
end
relativistic scalar Zora
corepotentials $WORKDIR/t12rel ++
H 1
end
end input
eor1
mv TAPE21 $WORKDIR/t21.H
####
$ADFBIN/adf -n 1 <<eor2
create C file=$ADFRESOURCES/ZORA/DZP/C.1s
xc
lda vwn
gga becke perdew
end
relativistic scalar Zora
corepotentials $WORKDIR/t12rel ++
C 2
end
end input
eor2
mv TAPE21 $WORKDIR/t21.C1s
####
$ADFBIN/adf -n 1 <<eor3
create O file=$ADFRESOURCES/ZORA/DZP/O.1s
xc
lda vwn
gga becke perdew
end
relativistic scalar Zora
corepotentials $WORKDIR/t12rel ++
O 3
end
end input
eor3
mv TAPE21 $WORKDIR/t21.O1s
#####
$ADFBIN/adf -n 1 <<eor4
create Gh.Pt q=0 m=0 file=$WORKDIR/Pt_ghost
xc
lda vwn
gga becke perdew
end
relativistic scalar Zora
corepotentials $WORKDIR/t12rel ++
Pt 4
end
end input
eor4
mv TAPE21 $WORKDIR/t21.Pt4f_ghost
####
###########################################################

>You have to use the same type of frozen core for all the atoms. Try
>using the BASIS-key
>
>BASIS
> TYPE DZP
> CORE SMALL (or NONE or LARGE or MEDIUM)
>END
>
>(you have to use capital letters). This has worked for me.

you mean within the input or within the create session?

Thanks for the answers and for your help
Angelo

-- 
_______________________________________________________________________
Angelo Vargas 
Institute for Chemical and Bio Engineering
Swiss Federal Institute of Technology (ETHZ)
ETH Hönggerberg,   Telefon:  0041/1/633 42 32, Room HCl E 129
Zürich - Switzerland       Fax:      0041/1/632 11 63
E-mail:   vargas_at_tech.chem.ethz.ch 
http://mercury.ethz.ch/members/vargas/
________________________________________________________________________