Total Energy

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Total Energy

From: Maximiliano Segala <msegala_at_email.domain.hidden>
Date: Mon, 18 Feb 2002 17:05:32 -0300 (EST)

        On pages 11 and 47 from the ADF-QMMM and 9, 42 and 139 from
the Users Guide documentation, the property total energy is
presented. However, page 194 of the Users Guide states that "The
total energy is not computed.". How can I calculate the total energy with
ADF?

--
Maximiliano Segala       Instituto de Quimica - UNICAMP 
msegala_at_iqm.unicamp.br   Cx.P. 6154 13083-970 Campinas SP 
Received on 2002-02-18 20:24:49

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