[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.
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
--
Lorenzo Paulatto - Paris
More information about the users
mailing list