[QE-users] LDA normconserving pseudopoential Cu

[Johannes Meusburger - STFC UKRI]

Dear all,

I want to simulate the Raman spectrum of a Copper-oxide compound using Quantum EPSRESSO. As far as I know, this is merely possible using norm-conserving PP on the LDA level of theory. Therefore, I have downloaded on the pz.0.3.1 folder from the THEOS website(THEOS Main/Pseudopotentials (epfl.ch)<http://theossrv1.epfl.ch/Main/Pseudopotentials>), which unfortunately does not contain any norm-conserving pseudopotential for Cu. I also had a look on the Quantum ESPRESSO website where I also could not find such a pseudopotential in any of the databases. Does anyone know any sources where I could obtain a NC PP for LDA calculations that works with Quantum ESPRESSO?

Many thanks and all the best,

Johannes

Johannes Meusburger
ISIS Neutron and Muon Source, UK

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