The maximum number of atoms is (default) 1000, and can be set in the
settings file,
if needed (you need to recompile afterwards !).

On Feb 9, 2005, at 4:28 PM, Masroor Ahmad wrote:

> Hi List,
> I want to know if there is any upper limit on the number of atoms in
> system being calculated with ADF? And what if ADF returns an error:
> -----too many records (ATOMS).

You have reached the maximum number of atoms.

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dr. Marcel Swart

Theoretische Chemie
Vrije Universiteit Amsterdam
Faculteit der Exacte Wetenschappen

De Boelelaan 1083
1081 HV Amsterdam
The Netherlands

Tel +31-(0)20-5987619
Fax +31-(0)20-5987629
E-mail m.swart_at_few.vu.nl
Web http://www.few.vu.nl/~swart
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Received on 2005-02-10 10:42:09