QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo Baroni, Stefano Bonini, Nicola Calandra, Matteo Car, Roberto Cavazzoni, Carlo Ceresoli, Davide Chiarotti, Guido L Cococcioni, Matteo Dabo, Ismaila Dal Corso, Andrea de Gironcoli, Stefano Fabris, Stefano Fratesi, Guido Gebauer, Ralph Gerstmann, Uwe Gougoussis, Christos Kokalj, Anton Lazzeri, Michele Martin-Samos, Layla Marzari, Nicola Mauri, Francesco Mazzarello, Riccardo Paolini, Stefano Pasquarello, Alfredo Paulatto, Lorenzo Sbraccia, Carlo Scandolo, Sandro Sclauzero, Gabriele Seitsonen, Ari P Smogunov, Alexander Umari, Paolo Wentzcovitch, Renata M 2009 info:eu-repo/semantics/article doc-type:article text http://purl.org/coar/resource_type/c_6501 https://ris.uni-paderborn.de/record/13802 Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. <i>Journal of Physics: Condensed Matter</i>. 2009;21(39). doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a> eng info:eu-repo/semantics/altIdentifier/doi/10.1088/0953-8984/21/39/395502 info:eu-repo/semantics/altIdentifier/issn/0953-8984 info:eu-repo/semantics/altIdentifier/issn/1361-648X info:eu-repo/semantics/closedAccess