Download User's Guide for Quantum

Modules/
include/
clib/
flib/
iotk/
install/
pseudo/
upftools/
examples/
tests/
Doc/
source files for modules that are common to all programs
files *.h included by fortran and C source files
external libraries written in C
external libraries written in Fortran
Input/Output Toolkit
machine-dependent makefiles
pseudopotential files used by examples
converters to unified pseudopotential format (UPF)
sample input and output files
automated tests
documentation
while others are specific to a single package:
PW/
pwtools/
PP/
PH/
Gamma/
D3/
PWCOND/
vdW/
PWscf: source files for scf calculations (pw.x)
PWscf: source files for miscellaneous analysis programs
PostProc: source files for post-processing of pw.x data file
PHonon: source files for phonon calculations (ph.x) and analysis
PHonon: source files for Gamma-only phonon calculation (phcg.x)
PHonon: source files for third-order derivative calculations (d3.x)
PWcond: source files for conductance calculations (pwcond.x)
VdW: source files for calculation of the molecular polarizability
at finite (imaginary) frequency using approximated Thomas-Fermi
+ von Weizacker scheme
CPV/
CP: source files for Car-Parrinello code (cp.x)
atomic/
Source files for the pseudopotential generation package (ld1.x)
atomic_doc/ Documentation, tests and examples for atomic
GUI/
PWGui: Graphical User Interface
2.2
Installation
To install Quantum ESPRESSO from source, you need C and Fortran-95
compilers (Fortran-90 is not sufficient, but most “Fortran-90” compilers are
actually Fortran-95-compliant). If you don’t have a commercial Fortran-95
compilers, you may install the free g95 compiler: (http://www.g95.org/) or
the GNU fortran compiler gfortran: (http://www.gfortran.org/). Note that
both the C and the F90 compilers must be in your PATH, or else their full
path must be explicitly given.
You also need a minimal Unix environment: basically, a command shell
(e.g., bash or tcsh) and the utilities make, awk and sed. MS-Windows users
need to have Cygwin (a UNIX environment which runs under Windows)
installed: see http://www.cygwin.com/. Note that the scripts contained in
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