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Alex Granovsky
gran@classic.chem.msu.su

I'll take a look when I have time for this, in a few days or so.

Regards,
Alex Granovsky

On Thu Jul 21 '11 3:13am, Jonas Baltrusaitis wrote
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>So... It's not working with all the support I am getting from Luca off the forum. Maybe Alex could take a look why it aborts and what can be done to make it work? Again, lower opttol values seem to work but moderate 5x10-5 doesn't