Paolo, I absolutely agree. This is more for testing purposes. To show that different codes give the same "bad" DFT answers.
On 1/17/06, Paolo Giannozzi <giannozz at nest.sns.it> wrote: > On Tuesday 17 January 2006 17:51, Nichols A. Romero wrote: > > > I was doing vc-relax on a vdW bonded system > > you shouldn't. Van der Waals bonded systems are not well > described by DFT. > > Paolo > > -- > Paolo Giannozzi e-mail: giannozz at nest.sns.it > Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 > Piazza dei Cavalieri 7 I-56126 Pisa, Italy > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. Nichols A. Romero, PhD. 1613 Denise Dr. Apt. D Forest Hill, MD 21050 443-567-8328 (C) 410-306-0709 (O)
