CCL:G: Gaussian03 and Periodic Bondary Condition



 Sent to CCL by: "Nuno  A. G. Bandeira" [nuno.bandeira,+,ist.utl.pt]
 Young Leh younglehgmail.com wrote:
 > Sent to CCL by: "Young  Leh" [youngleh- -gmail.com]
 > Dear CCLer,
 >
 >
 >> From the Gaussian website, it looks like Gaussian03 is able to perform
 periodic caculations.  But I can not find further explanation on how to achieve
 this.  I need some information like how to specify the input and what the
 keyword(s) are?
 Periodic calculations are automatic in Gaussian so long as you specify the
 translation vectors in the coordinate section.
 Read this : http://www.gaussian.com/g_ur/m_molspec.htm
 A printed version of the manual would help you.
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 Nuno A. G. Bandeira, AMRSC
 Graduate researcher and molecular sculptor
 Inorganic and Theoretical Chemistry Group,
 Faculty of Science
 University of Lisbon - C8 building, Campo Grande,
 1749-016 Lisbon,Portugal
 http://cqb.fc.ul.pt/intheochem/nuno.html
 Doctoral student (~) IST,Lisbon
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