One thing you should do is to read at least 2 papers: vdW-DF: PRL 92, 246401 (2004) vdW-DF2: Phys. Rev. B 82, 081101 (2010) They will tell you what are the differences between vdW-DF and vdW-DF2.
In short, they differ in the exchange part, gradient coefficient etc... -------------------------------------------------- Duy Le PhD Candidate Department of Physics University of Central Florida. "Men don't need hand to do things" On Sat, Jul 30, 2011 at 11:06 AM, DONG Rui <rdong at ncsu.edu> wrote: > Hi, all > > Thanks for last reply. > Now I am wondering, what is the difference between vdw1 and vdw2? > In the short name definition, vdw-df=".........+vdw", I guess, it is vdw1 > because in the output is shows, > ? Exchange-correlation????? = SLA+PW+RPB+VDW ( 1 4 4 0 1) > But, when I define the input_dft=" SLA+PW+RPB+VDW2", output says "conflict", > > Now, Can anyone tell me the difference? > Are the 1 and 2 from the two references consequently? > > Thank you! > > Rui > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
