[QE-users] libxc needed for this functional - QE bulid with libxc

[Fabrizio Ferrari]

Hello,
I suggest you to have a look at section 2.6.1 of the user_guide (Doc
folder) and try the options suggested. If you still have troubles let me
know.

Cheers,
Fabrizio

On Wed, Dec 8, 2021 at 3:57 PM Michal Husak <Michal.Husak at vscht.cz> wrote:

> Hi
>
> I had successfully compiled  libxc and than recompiled QE 6.8 with the
>    --with-libxc-include=\opt\etsf option of the ./configure ....
>
> The final binary differs from the one build without libxc so the
> libxc linking was hopefully successful ...
>
> After requesting SCAN functional I sill get following message:
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>       Error in routine set_dft_from_name (2):
>       libxc needed for this functional
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> How is it possible with QE build with the libxc ?
>
> Any idea what to check ?
>
> Michal
>
>
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