Nothing wrong about this method, native empty states of cp are necessary for wannier functions and pbe0 code based on that.
On Thu 17/02/11 4:23 PM , Paolo Giannozzi <giannozz at democritos.it> wrote: > On Feb 17, 2011, at 21:44 , jia chen wrote: > > > I hope cp can recover the implementation of empty states [...] > > I know we can do that by nscf calculations in pwscf > > > > > what is wrong with that approach? > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum [1] > > > > Links: > ------ > [1] > http://webmail.princeton.edu/parse.php?redirect=http://www.democritos.it/ma > ilman/listinfo/pw_forum >
