issues with M06-2X dispersion / aug-cc-pVTZ optimization


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2:42:37 PM PST - Thu, Feb 7th 2013
Thank you! I will try it out.

Quote:Edoapra Feb 7th 9:19 pm
Quote:
Should I keep the memory statement in the restart input?


Yes,
You need to keep the memory statement in the restart input file.
Otherwise, NWChem will use the default memory allocation that is not enough for your input file.

Cheers, Edo