This is the distribution of the Quantum-ESPRESSO suite of codes (ESPRESSO: 
opEn-Source Package for Research in Electronic Structure, Simulation, 
and Optimization), promoted by the DEMOCRITOS National Simulation Center 
of the Italian INFM (http://www.democritos.it). It contains the following 
codes for density-functional theory calculations of electronic structure,
based on plane waves and pseudopotentials:

- the PWscf package, developed by Stefano Baroni, Stefano de Gironcoli, 
  Andrea Dal Corso (SISSA, Trieste), Paolo Giannozzi (Scuola Normale,
  Pisa) and others: see http://www.pwscf.org for more information

- the CP code, developed by Alfredo Pasquarello (IRRMA, Lausanne),
  Kari Laasonen (Oulu), Andrea Trave (LLNL), Roberto Car
  (Princeton), Paolo Giannozzi, Nicola Marzari (MIT),
  Carlo Cavazzoni (CINECA, Bologna), Sandro Scandolo (ICTP, Trieste), 
  Guido Chiarotti (SISSA, Trieste), Paolo Focher, 
  Gerardo Ballabio (CINECA, Bologna) and others, 
  for Car-Parrinello variable-cell molecular dynamics 

Several utilities are also included, in particular:

- a GUI (Graphical User Interface) for generating input data files,
  written by Anton Kokalj (IJS Ljubljana) (for more info, see 
  http://www-k3.ijs.si/kokalj/pwgui , http://www-k3.ijs.si/kokalj/guib/)

- the pseudopotential generation code "atomic", written by Andrea Dal Corso

- the Input/Output Toolkit "iotk", written by Giovanni Bussi (S3 Modena)
  (for more info, see http://www.s3.infm.it/iotk)

This distribution is a step in the ongoing work aiming at a full 
integration and interoperability of these codes. This project is 
part of a cooperative effort involving DEMOCRITOS, CINECA, Princeton 
University, MIT.

Directory structure of the common part of the three packages:

Modules/   Source file for modules that are common to all programs
include/   files *.h included by fortran source files
clib/      external libraries written in C
flib/      external libraries written in Fortran
install/   machine-dependent makefiles and tools for compilation
           and installation
pseudo/    pseudopotential files used by examples
upftools/  Source files for converters to unified pseudopotential
           format (UPF)
examples/  Contains sample input and output files
Doc/       Documentation

Directory structure of the PWscf package:

PW/        Source files for scf calculations (pw.x)
PH/        Source files for phonon calculations (ph.x)
PP/        Source files for post-processing of pw.x data file
Gamma/     Source files for Gamma-only phonon calculation (phcg.x)
D3/        Source files for third-order derivative calculations (d3.x)
PWCOND/    Source files for conductance calculations (pwcond.x)
pwtools/   Source files for post-processing of ph.x results,
           miscellaneous analysis programs
vdW/       Source files for calculation of the molecular polarizability 
           at finite (imaginary) frequency using approximated Thomas-Fermi
           + von Weizacker scheme (contributed by V.H. Nguyen, Sissa and
           Hanoi University).

CPV/       Source files for Car-Parrinello code CP/FPMD

GUI/ or PWgui-*/ Source files for the GUI (GUI/ for CVS sources, while
                 PWgui-*/ for the tarball *.tar.gz).

atomic/    Source files for the pseudopotential generation package
atomic_doc/ Documentation, tests and examples for the above

iotk/      Input/Output Toolkit

VIB/       Source files for the frozen-phonon code (contributed by 
           Silviu Zilberman, Princeton)

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.