[QE-users] SCAN with QE 6.1

[Fabrizio Ferrari]

Hello,
I am not sure if libxc is fully usable with qe v6.1. If you want to use
libxc SCAN with v6.1 you should add the scan routines and their calls in
metagga.f90 and funct.f90 respectively (they are in Modules folder), as it
was done in v6.2. But I do not guarantee it will work straightforwardly
after that.
If you decide to switch to the latest version of qe instead, you may have a
look here:
https://lists.quantum-espresso.org/pipermail/users/2020-January/043912.html

Best regards,
Fabrizio


On Thu, Apr 2, 2020 at 10:52 PM Andrew Xu <andrewxu at uchicago.edu> wrote:

> Hi,
>
> I sent this to email to one of the developers before realizing there is a
> mailing list for these questions -- apologies for the duplicate if this is
> you!
>
> I'm wondering if SCAN (through LIBXC) is compatible with Quantum Espresso
> version 6.1. I saw in the documentation that new to QE 6.2 is the SCAN
> functional with libxc v.3, but was wondering if there is a way to use the
> SCAN in LIBXC and get it to work with QE 6.1.
>
> Thanks!
> Andy
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