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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110727/128f1ab8/attachment.htm
