Masoud Nahali
masoudnahali@gmail.com
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
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Masoud Nahali, Sharif University of Technology
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