The Quantum-ESPRESSO package (opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization) is the result of the merge of several pre-existing packages for electronic-structure calculations: - the PWscf package - the CP code and of several utilities, in particular: - the PWgui graphical user interface for generating input data files - the "atomic" pseudopotential generation code. - the Input/Output Toolkit "iotk" The maintenance and further development of the Quantum-ESPRESSO code is promoted by the DEMOCRITOS National Simulation Center of the Italian INFM (http://www.democritos.it/), under the coordination of Paolo Giannozzi (Scuola Normale Superiore, Pisa), with the strong support of the CINECA National Supercomputing Center in Bologna (http://www.cineca.it/), under the responsibility of Carlo Cavazzoni (CINECA, Bologna). The PWscf package (http://www.pwscf.org) was developed by Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso (SISSA, Trieste), Paolo Giannozzi, and many others. Matteo Cococcioni (MIT) and SdG implemented LDA+U. Michele Lazzeri (Paris VI) implemented the 2n+1 code and Raman cross section calculation with 2nd-order response. Oswaldo Dieguez (Rutgers) implemented Berry's phase calculations. Ralph Gebauer (ICTP, Trieste) and Adriano Mosca Conte (SISSA, Trieste) implemented noncolinear magnetism, AdC the spin-orbit. Mickael Profeta (Paris VI) implemented electric-field gradients. Carlo Sbraccia (Princeton) implemented NEB, Strings method, Metadynamics. Alexander Smogunov (SISSA) and AdC implemented ballistic conductance. Paolo Umari (MIT) implemented finite electric fields. Renata Wentzcovitch (UMinn) implemented variable-cell molecular dynamics. The CP code is based on the original code written by Roberto Car and Michele Parrinello. CP was developed by Alfredo Pasquarello (IRRMA, Lausanne), Kari Laasonen (Oulu), Andrea Trave (LLNL), Roberto Car (Princeton), Nicola Marzari (MIT), Paolo Giannozzi, and others. Also developed by former FPMD team: Carlo Cavazzoni, Gerardo Ballabio (CINECA), Sandro Scandolo (ICTP), Guido Chiarotti (SISSA), Paolo Focher, and others. Yosuke Kanai (Princeton) implemented Strings method. Carlo Sbraccia (Princeton) implemented NEB and Metadynamics. Manu Sharma (Princeton) and Yudong Wu (Princeton) implemented maximally localized Wannier functions and dynamics with Wannier functions. Paolo Umari (MIT) implemented finite electric fields and conjugate gradients. Paolo Umari and Ismaila Dabo (MIT) implemented ensemble-DFT. Xiaofei Wang (Princeton) implemented META-GGA. The Autopilot feature was implemented by Targacept, Inc. Gerardo Ballabio implemented "configure" for Quantum-Espresso. PWgui was written by Anton Kokalj (IJS, Ljubljana) and is based on his GUIB concept (http://www-k3.ijs.si/kokalj/guib/). The pseudopotential generation package "atomic" was written by Andrea Dal Corso and it is the result of many additions to the original code by Paolo Giannozzi and others. The input/output toolkit "iotk" (http://www.s3.infm.it/iotk) was written by Giovanni Bussi (S3, Modena). The frozen-phonon code was contributed by Silviu Zilberman (Princeton). The calculation of the finite (imaginary) frequency molecular polarizability using the approximated Thomas-Fermi + von Weizaecker scheme was contributed by Huy-Viet Nguyen (SISSA), The BlueGene porting was done by Costas Bekas and Alessandro Curioni (IBM Zurich). A list of further contributors includes: Dario Alfe', Francesco Antoniella, Mauro Boero, Nicola Bonini, Claudia Bungaro, Paolo Cazzato, Davide Ceresoli, Gabriele Cipriani, Cesar Da Silva, Alberto Debernardi, Gernot Deinzer, Andrea Ferretti, Guido Fratesi, Martin Hilgeman, Eyvaz Isaev, Axel Kohlmeyer, Konstantin Kudin, Nicolas Lacorne, Stephane Lefranc, Sergey Lisenkov, Kurt Maeder, Andrea Marini, Francesco Mauri, Riccardo Mazzarello, Nicolas Mounet, Pasquale Pavone, Guido Roma, Kurt Stokbro, Paul Tangney, Pascal Thibaudeau, Antonio Tilocca, Jaro Tobik, Malgorzata Wierzbowska, and let us apologize to everybody we have forgotten. All the material included in this distribution is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. These programs are distributed in the hope that they will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.