mirror of https://gitlab.com/QEF/q-e.git
70 lines
3.1 KiB
Plaintext
70 lines
3.1 KiB
Plaintext
The 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 FPMD code
|
|
- the CP code
|
|
and of several utilities, in particular:
|
|
- the PWgui graphical user interface for generating input data files
|
|
- a pseudopotential generation code.
|
|
|
|
The maintenance and further development of the ESPRESSO code is
|
|
promoted by the DEMOCRITOS National Simulation Center of the Italian
|
|
INFM (http://www.democritos.it/), under the coordination of Paolo
|
|
Giannozzi (p.giannozzi@sns.it) (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 (c.cavazzoni@cineca.it).
|
|
|
|
Currently active developers include Gerardo Ballabio (CINECA),
|
|
Stefano Fabris, Adriano Mosca Conte, Carlo Sbraccia (SISSA,
|
|
Trieste), Anton Kokalj (Joszef Stefan Institute, Ljubljana).
|
|
|
|
The PWscf package was originally developed by Stefano Baroni, Stefano
|
|
de Gironcoli, Andrea Dal Corso (SISSA), Paolo Giannozzi, and others.
|
|
The web site for PWSCF and related codes is: http://www.pwscf.org/
|
|
|
|
The FPMD and CP codes are both based on the original code written by
|
|
Roberto Car and Michele Parrinello.
|
|
|
|
FPMD was developed by Carlo Cavazzoni, Gerardo Ballabio (CINECA),
|
|
Sandro Scandolo (ICTP, Trieste), Guido Chiarotti (SISSA), Paolo
|
|
Focher, and others.
|
|
|
|
CP was developed by Alfredo Pasquarello (IRRMA, Lausanne), Kari
|
|
Laasonen (Oulu), Andrea Trave (UCBerkeley), Roberto Car (Princeton),
|
|
Nicola Marzari (MIT), Paolo Giannozzi, and others.
|
|
|
|
PWgui was written by Anton Kokalj (IJS) 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.
|
|
|
|
A list of further contributors includes:
|
|
Dario Alfe', Francesco Antoniella, Mauro Boero, Claudia Bungaro,
|
|
Paolo Cazzato, Gabriele Cipriani, Matteo Cococcioni,
|
|
Alberto Debernardi, Gernot Deinzer, Oswaldo Dieguez, Guido Fratesi,
|
|
Ralph Gebauer, Yosuke Kanai, Axel Kohlmeyer, Konstantin Kudin,
|
|
Michele Lazzeri, Kurt Maeder, Francesco Mauri, Pasquale Pavone,
|
|
Mickael Profeta, Guido Roma, Manu Sharma, Alexander Smogunov,
|
|
Kurt Stokbro, Antonio Tilocca, Renata Wentzcovitch, Yudong Wu,
|
|
Xiaofei Wang,
|
|
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.
|