Dear Dr. Yan,

Specifying

SYMMETRY NOSYM

in your input file will allow you to optimize this structure.
However, ADF does not impose that the final structure will
have C3 symmetry in that case.

Best regards,
Stan van Gisbergen

On Jul 7, 2004, at 9:37 AM, yan qi wrote:

> Hi, Dear friends,
> How are you?
> I want to optimize compound with using ADF programme,
> but the programme can not run.I know the symmetry C3
> can not allow, but what should I do? The compound has
> 104 atoms.
> Best Wishes!
> LK Yan
>
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Received on 2004-07-07 10:32:24