[QE-users] SCAN meta-GGA : error

Lorenzo Paulatto paulatz at gmail.com
Thu Sep 27 19:58:37 CEST 2018


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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