Posted by Matthias on January 23, 2009 at 15:30:24:
In Reply to: Re: Slapaf iterations and MOLCAS MaxIter environment variable posted by David Robinson on January 09, 2009 at 10:27:34:
The answer is to edit the file $MOLCAS/src/Include/mxdm.fh.
There one will find default values for e.g. the maximum number of centers (MxAtms)
and the global maximum number of iterations (MxIter).
Changing these values and recompiling the package will solve some problems.
Matthias