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Re: Problem getting NEDA fragment converged

Alex Granovsky
gran@classic.chem.msu.su


Hi,

could you please attach compressed output file as well?

Kind regards,
Alex Granovsky


On Fri Oct 17 '14 10:07am, Adebayo A. Adeniyi wrote
---------------------------------------------------
>Dear All,

>I am trying to run NEDA analysis, but three of my hydrated metal complexes of ruthenium refused to converged when it got to Fragment 3. It keeps repeating the:

> * * *    REDUCING  DIIS SUBSPACE    * * *
>          * * *    REDUCING  DIIS SUBSPACE    * * *

>The input file of one of three that is very stubborn is attached.

>Can somebody help me out on getting my NEDA analysis of this complex converged.

>Thanks.

>Kind regards,
>Adebayo Adeniyi


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