[molpro-user] failure to understand GAUSSIAN option to OPTG

Dr. Seth Olsen s.olsen1 at uq.edu.au
Fri Jun 9 05:50:08 BST 2006

Hi Molpro-Users,

I am running into a problem with OPTG in v.2006.1.  Particularly, it 
doesn't understand the 'Gaussian' option to set the convergence 
criteria.  I have tried both 'optg,gaussian' and 'optg,gaussian=.t.'.  
The program crashes during the initial input scan.  Is this a bug?  The 
manual indicates that the option should still work.




Dr Seth Olsen, PhD
Postdoctoral Fellow, Biomolecular Modeling Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 


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