Dear ADF users,

It appears to me that ADF has problems with detecting the symmetry
of large non-planar molecules. No matter how wide tolerance I give,
ADF aborts when I specify the correct point group of the input coordinates
in geometry optimizations.

Do anybody have a cure for this problem?

Best regards,

Henning Heiberg-Andersen
Received on 2004-09-03 19:47:57