From NWChem
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| 11:39:02 AM PST - Sun, Nov 21st 2010 |
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Hi Guest;
Thank you very much for your suggestion. I still have the problem with the optimized geometry. When I use dft defaults the optimized geometry from NWChem is different for that of default DFT in G09. Could you please suggest me the DFT convergence setting which is equivalent to that of default DFT criteria for G09 ?
Thank you very much
Ram
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