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Alex Granovsky
gran@classic.chem.msu.su

I'd recommend tightening icut to 10 or 11, setting inttyp to hondo and nconv to 6 or 7.  

Kind regards,
Alex

On Thu Jun 16 '11 9:31pm, sanya wrote
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>It is necessary anyway, regardless of the program. Set $SCF NCONV=6 or higher. Default is 5 (see Manual).

>On Thu Jun 16 '11 1:12pm, Masoud Nahali wrote
>---------------------------------------------
>>Dear Firefly Users

>>In some quantum chemistry software it is necessary to do a tight SCF calculation where diffuse functions are involved. A tight SCF helps to get convergence easily in the case. Let me know that is it necessary to do so by Firefly or not ? I appreciate your reply about the issue in advance.

>>                                    Best Wishes

>>                                      Masoud
>