[Pw_forum] Does exx_fraction override input pseudopotentials?

[Dae Kwang Jun]

Dear Professor Giannozzi,

Thank you for your reply. I wanted someone to confirm. I apologize. I
tested the method for ZnO. I was able to find that in the band gap with
this method was smaller than PW LDA (hence wrong). I was hoping that this
method would be valid since I was able to run nscf calculations with this
method and specify a k point path.

On Thursday, June 16, 2016, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> No, it's not (as you may verify by yourself with a simple test)
>
> Paolo
>
> On Thu, Jun 16, 2016 at 5:10 AM, Dae Kwang Jun <jdaekwang at gmail.com
> <javascript:;>> wrote:
> > Dear all,
> >
> > I want to do a calculation using PBE0 as the functional. My question is
> > whether using a pbe pesudopotential and setting exx_fraction = 0.25 will
> be
> > equivalent (or at least similar) to using input_DFT = 'pbe0'.
> >
> > Sincerely,
> >
> > Dae Kwang Jun
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org <javascript:;>
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> _______________________________________________
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>
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