<DIV>Dear all:</DIV>
<DIV> I remember in our guide book p88 it said the iterations in the scf file must not be greater than 99. But when the iterations reach 99, the calculation has not converged, How to do with this?</DIV>
<DIV>Best regards</DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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