From NWChem
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| 6:02:41 AM PDT - Mon, Jul 21st 2014 |
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Hi,
I was doing a ONIOM calculation to optimize a structure as well as to do a frequency calculation.
It terminated with an error:
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oniom optimize failed 0
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This type of error is most commonly associated with calculations not reaching convergence criteria
------------------------------------------------------------------------
For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation
I wonder whether the normal restart will work here or not because of the frequency calculation.
Thanks.
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