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Re^3: Testing the Firefly v.8 RC build #7317 against v.7.1.G build #5618 in NT MPICH SMP variant

Serge Pisarev
serge@org.chem.msu.su

On Wed Sep 12 '12 5:46pm, Alex Granovsky wrote
----------------------------------------------
>Dear Serge,

>We have updated download links to Firefly v. 8.0.0 RC 29 build # 7339
>This build fixes the problem you have found. It also contains some additional improvements.

>Kind regards,
>Alex Granovsky

Dear Alex,

thank you for your quick response. The SCF failures are fortunately disappeared in #7339, but the imaginary frequency is retained with its frequency altered (854.47i vs. 906.64i for #7317).
What have I done wrong?
The compressed output is attached.

With best regards --- Serge Pisarev

This message contains the 371 kb attachment
[ ImagFreq.rar ]

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