how to define the charge

Posted by glen on January 21, 2002 at 09:23:18:

I want to calculate a anion or cation.Is it necessary to define the charge in SCF section? If I used the Keywore 'charge',how I can define the occupied? Any tips will be appreciated!

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• Re: how to define the charge Per-Olof Widmark 09:46:43 1/23/02 (0) 130.235.29.69

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: I want to calculate a anion or cation.Is it necessary to define the charge in SCF section? If I used the Keywore 'charge',how I can define the occupied? Any tips will be appreciated!