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Re: EXAMPLE09:MCQDPT calculations

Alex Granovsky
gran@classic.chem.msu.su


Hello,

could you please attach the complete output file?

Kind regards,
Alex Granovsky



On Sat May 31 '14 10:46am, TianY wrote
--------------------------------------
>Dear Firefly Developer,

>I got some difficulty to finish the sample calculations of EXAMPLE09 downloaded together with the Firefly package.
>It is about MCQDPT calculations. The test system has C2V symmetry, but I got the error when the MCQDPT starts:
> JOB ABORTS.  YOU MUST EITHER
>  A) PROVIDE A SYMMETRY ADAPTED MO SET BY GUESS=MOREAD
>  B) ENTER NOSYM=1 TO USE THESE SYMMETRY BROKEN MO-S.

>Do you have any idea about this?

>Thanks

>Yong Tian


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