[QE-users] Problem using SCAN in pp.x

[Abhirup Patra]

Dear QE users and developers,

I am using QE-6.4.1 compiled with the latest version of LibXC for
relaxation and band structure calculations, which went smoothly (without
spin-polarization, I could not use npsin = 2 with SCAN). However, when I am
trying to compute electrostatic potentials using the "pp.x" I am getting
the following error:

Error in routine set_dft_from_name (2):
libxc needed for this functional

Do I have to make pp.x in a special way to access  LibXC?

Best,
Abhirup
-------------------------------------------------------------------------------------------------------------------------------------
Abhirup Patra
Postdoctoral Research Fellow
Department of Chemistry
University of Pennsylvania
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20191205/6e06a3d2/attachment.html>