[molpro-user] maxcyc again

[Rika Kobayashi]

Hello again,
Haven't heard back from anyone and my user is getting anxious
so I had a go at changing the maximum maxcyc from 39-42 to see what
would happen.
Interestingly, his job sort of converged at 40 iterations with the
warning:
 Warning: orbitals not optimized!
but then continued on its merry way giving a point which he could
later use as a starting point with the unadulterated version.
However, a different job he has fails indicating that changing
39 to 42 was indeed a bad idea. 
Is it really that difficult to override this sort of strange number 39?
Rika

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Dr Rika Kobayashi			

ANU Supercomputer Facility		phone: (02) 6125 5986
Australian National University          fax:   (02) 6125 8199
Canberra, ACT 0200,			
Australia                           

PLAN TO COME TO WATOC 2008
SYDNEY, AUSTRALIA:  September 14-19, 2008
www.watoc2008.com
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