I think you can use revPBE to produce the PPs for using,and in your calculation you can set the input_dft='vDW-DF',that's what the example mean.Could you tell me where you find the information of the example? Thanks. Robin H
2011/7/28 DONG Rui <rdong at ncsu.edu> > Hi, all > > I have something not clear about the vdw-df implementation. > > It is mentioned in the example that we'd better use revised pbe when using > the vdw-df, but "revPBE" itself is another xc-functional? What do we do now? > > Do we write the input_dft="revPBE+vdW-DF2"? > > or we do "revPBE" first and use the result to restart a "vdW-DF2" > calculation? > > Thank you very much for help! > > -- > Sincerely, > > Rui DONG > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110808/a0acbb89/attachment.htm
