Dear Ali, could you, please, be more explicit in your question? in principle for using B3LYP with pw, you just need to specify in system namelist input_dft="b3lyp", and this is independent of the element.
cheers Layla 2011/8/23 ali ghafari <aaghafari at yahoo.com> > Dear All > > I would like to use B3LYP hybrid density function for correlated system. > But I don't know how can I find it for Cu and O. Should I write it by > myself? > > Best Wishes > Ghafari > > > _______________________________________________ > 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/20110823/dcbe7ba3/attachment.htm
