[Pw_forum] My wish about cp code: empty states

[jiachen at princeton.edu]

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
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