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
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