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Re^2: My contribution in April Fools' Day

Vyacheslav
kreme_vg@chemy.kolasc.net.ru


Yes, dear Masoud,
it would be very useful – to add one line at the end of the out file. I knew about this joke, but I haven't done the point calculations for a long time and completely forgot about this thing...

Vyacheslav
**********************************************************



On Tue Mar 29 '11 10:00pm, Masoud Nahali wrote
----------------------------------------------
>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
>--------------
>Masoud Nahali, Sharif University of Technology
>          


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