Dear TAE BUM LEE, It is the sum over all the atomic pairs. To compute the interaction between, e.g. two molecules one has to compute the energy of the dimer and subtract the energy of the two isolated fragments.
hope this helps daniel 2011/1/5 TAE BUM LEE <taebumlee at gmail.com> > Hi, > > In PBE with Dispersion Correction, what is exact meaning of "Dispersion > Correction" in output? Is it only for dispersion interaction energy or any > interatomic interaction after dispersion? > > ######################################## > TAE BUM LEE > Dept. Chemistry. & Biochemistry > Auburn Univ. AL. 36849 > TEL.: 334-844-6912 > e-mail: taebumlee at gmail.com > ######################################## > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ---------------------------------- Daniel Forrer Dipartimento di Scienze Chimiche Universit? degli Studi di Padova V. Marzolo 1, Padova mail daniel.forrer at unipd.it tel. +39 049 8275166 ---------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110106/9d38c27b/attachment.htm
