Vyacheslav
kreme_vg@chemy.kolasc.net.ru
Vyacheslav
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On Tue Mar 29 '11 10:00pm, Masoud Nahali wrote
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>Dear Vyacheslav
>One should examine the "SCF convergence" status before using the data; seeing the "EXECUTION OF FIREFLY TERMINATED NORMALLY" is not sufficient and safe by itself to be certain about correct completion of a task.
>I think if Firefly writes a warning line near the end of the output file about the matter everyone (especially beginners and who has forgotten to check the SCF convergence) will experience a feeling of safety further. Certainly, Professor Granovsky knows the logic of not leaving a line there.
>
>
>Best Wishes
> Masoud
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>Masoud Nahali, Sharif University of Technology
>