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 This email and any attachments are intended solely for the use of the named recipients. If you are not the intended recipient you must not use, disclose, copy or distribute this email or any of its attachments and should notify the sender immediately and delete this email from your system. UK Research and Innovation (UKRI) has taken every reasonable precaution to minimise risk of this email or any attachments containing viruses or malware but the recipient should carry out its own virus and malware checks before opening the attachments. UKRI does not accept any liability for any losses or damages which the recipient may sustain due to presence of any viruses.
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