[Pw_forum] Does exx_fraction override input pseudopotentials?

Paolo Giannozzi p.giannozzi at gmail.com
Thu Jun 16 14:33:16 CEST 2016


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> 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
>
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-- 
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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