[QE-users] SCAN meta-GGA : error

[Paolo Giannozzi]

V. 3.0.1 of libxc should be sufficient.

Paolo

Il gio 27 set 2018 19:59 Lorenzo Paulatto <paulatz at gmail.com> ha scritto:

> You get the most recent version of libxc from the git repository:
>    git clone https://gitlab.com/libxc/libxc
> then you compile and link it as usual.
>
> kind regards
>
> On 09/27/2018 06:54 PM, Nnanna Ukoji wrote:
> > Dear all,
> >
> > Please I want to run a plane wave scf calculation using SCAN functional
> > in the qe-6.2 version using another GGA pseudopotential and i got this
> > error message.
> > %%%%%%%%%%%%%%%%%%%%%%%%%%%%
> >       task #         0
> >       from SCAN meta-GGA : error #         1
> >       please, recompile with LibXC trunk (i.e. >3.0.0))
> >   %%%%%%%%%%%%%%%%%%%%%%%%%%%%
> > can anyone please suggest the way around it?
> > Best regards.
> > N.
> >
> >
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> >
>
> --
> Lorenzo Paulatto - Paris
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