Could you give more detailed information ?
Most probably it is related to the creation of the Numerical
Integration grid points,
but it would be more helpful if you would add some more lines of the
logfile,
and the lines before the line with "CPU=" on it..

And also, could you send the inputfile ? That would really make it
easy..

On Tuesday, Dec 3, 2002, at 17:41 Europe/Amsterdam, Katrin Spiegel
wrote:

> Dear all
> I'm new to ADF and I have some trouble to do geometry optimization on
> a
> Pt(CO)4 complex.
> The program stops after listing the contributions from the various
> basis
> sets.
>
> The error is related to some intrapolation routine producing a long
> list
> of what follows.
>
> <Dec03-2002> <16:42:43> INTRAPOLATED POINT
> <Dec03-2002> <16:42:43> too few points
>
> I tried to increase the radialcoregrid points and also the memory, but
> this does not help. In fact, I don't really know what the error is
> related to and I would be very grateful if somebody could give me a
> hint.
>
> I'm using the Zora scalar relativistic approach. Basis sets are of the
> TZ2P type with frozen cores for Pt up to 4f, and 1s for C and O.
>
> Thanks in advance for your help!
>
> katrin
>
>
>
–––––––––––––––––––––––––––––––––––––
Marcel Swart

Organische en Anorganische Chemie
Faculteit der Exacte Wetenschappen
Vrije Universiteit Amsterdam

De Boelelaan 1083
1081 HV Amsterdam
The Netherlands

F +31-(0)20-4447488
E swart_at_chem.vu.nl
W http://go.to/m.swart
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Received on 2002-12-03 21:56:30