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Re^2: XMCQDPT2 and optimization through a numerical gradient

Roman Kroik
chemistnn@gmail.com


I typed MEMORY size in the $SYSTEM group and I have started my calculation again. And calculation has continued normally after first optimization step. If any problems will appear I will reply to you in this thread.


On Sat Dec 22 '12 3:22pm, Alex Granovsky wrote
----------------------------------------------
>Hi,

>could you please attach the complete output as well?

>Kind regards,
>Alex Granovsky

[ This message was edited on Tue Dec 25 '12 at 11:25am by the author ]


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