mirror of https://gitlab.com/QEF/q-e.git
70 lines
3.2 KiB
Plaintext
70 lines
3.2 KiB
Plaintext
The Quantum-ESPRESSO package (opEn-Source Package for Research in
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Electronic Structure, Simulation, and Optimization) is the result
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of the merge of several pre-existing packages for electronic-structure
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calculations:
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- the PWscf package
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- the FPMD code
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- the CP code
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and of several utilities, in particular:
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- the PWgui graphical user interface for generating input data files
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- a pseudopotential generation code.
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The maintenance and further development of the Quantum-ESPRESSO code is
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promoted by the DEMOCRITOS National Simulation Center of the Italian
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INFM (http://www.democritos.it/), under the coordination of Paolo
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Giannozzi (p.giannozzi@sns.it) (Scuola Normale Superiore, Pisa), with
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the strong support of the CINECA National Supercomputing Center in
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Bologna (http://www.cineca.it/), under the responsibility of Carlo
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Cavazzoni (c.cavazzoni@cineca.it).
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Currently active developers include Gerardo Ballabio (CINECA),
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Stefano Fabris, Guido Fratesi, Adriano Mosca Conte, Carlo Sbraccia
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(SISSA, Trieste), Anton Kokalj (Joszef Stefan Institute, Ljubljana).
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The PWscf package was developed by Stefano Baroni, Stefano
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de Gironcoli, Andrea Dal Corso (SISSA), Paolo Giannozzi, and others.
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The web site for PWSCF and related codes is: http://www.pwscf.org/
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The FPMD and CP codes are both based on the original code written by
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Roberto Car and Michele Parrinello.
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FPMD was developed by Carlo Cavazzoni, Gerardo Ballabio (CINECA),
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Sandro Scandolo (ICTP, Trieste), Guido Chiarotti (SISSA), Paolo
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Focher, and others.
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CP was developed by Alfredo Pasquarello (IRRMA, Lausanne), Kari
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Laasonen (Oulu), Andrea Trave (LLNL), Roberto Car (Princeton),
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Nicola Marzari (MIT), Paolo Giannozzi, and others.
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PWgui was written by Anton Kokalj (IJS) and is based on his GUIB
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concept (http://www-k3.ijs.si/kokalj/guib/).
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The pseudopotential generation package "atomic" was written by
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Andrea Dal Corso and it is the result of many additions to
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the original code by Paolo Giannozzi.
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A list of further contributors includes:
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Dario Alfe', Francesco Antoniella, Mauro Boero, Claudia Bungaro,
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Paolo Cazzato, Gabriele Cipriani, Matteo Cococcioni,
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Alberto Debernardi, Gernot Deinzer, Oswaldo Dieguez,
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Ralph Gebauer, Martin Hilgeman, Yosuke Kanai, Axel Kohlmeyer,
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Konstantin Kudin, Michele Lazzeri, Kurt Maeder, Francesco Mauri,
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Nicolas Mounet, Pasquale Pavone, Mickael Profeta, Guido Roma,
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Manu Sharma, Alexander Smogunov, Kurt Stokbro, Pascal Thibaudeau,
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Antonio Tilocca, Paolo Umari, Renata Wentzcovitch, Yudong Wu,
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Xiaofei Wang, and let us apologize to everybody we have forgotten.
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All the material included in this distribution is free software;
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you can redistribute it and/or modify it under the terms of the GNU
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General Public License as published by the Free Software Foundation;
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either version 2 of the License, or (at your option) any later version.
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These programs are distributed in the hope that they will be useful, but
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WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
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or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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675 Mass Ave, Cambridge, MA 02139, USA.
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