sanya
sanya@photonics.ru
On Thu Jun 16 '11 1:12pm, Masoud Nahali wrote
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>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