Presently, the Quantum-ESPRESSO package is only distributed in source form; some precompiled executables (binary files) are provided only for PWgui. Providing binaries would require too much effort and would work only for a small number of machines anyway.
Stable releases of the Quantum-ESPRESSO source package (current version is 4.0) can be downloaded from this URL: http://www.pwscf.org/download.htm.
Uncompress and unpack the distribution using the command:
tar zxvf espresso-4.0.tar.gz
(a hyphen before "zxvf" is optional). If your version of "tar" doesn’t recognize the "z" flag:
gunzip -c espresso-4.0.tar.gz | tar xvf -
A directory espresso-4.0/ , containing the distribution, will be created. Occasionally, patches for the current version, fixing some errors and bugs, may be distributed as a "diff" file. In order to install a patch (for instance):
cd espresso-4.0/ patch -p1 < /path/to/the/diff/file/espresso-4.0.1.diff
If more than one patch is present, they should be applied in the correct order.
The bravest may access the (unstable) development version via anonymous CVS (Concurrent Version System): see the developer manual, section Developer_Manual#Using CVS.
Directory structure of the common part for all 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 tests/ Contains automated tests (since v.4) Doc/ Documentation
Directory structure of the PWscf package:
PW/ Source files for scf calculations (pw.x) PP/ Source files for post-processing of pw.x data file PH/ Source files for phonon calculations (ph.x) and analysis programs 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 miscellaneous analysis programs vdW/ Source files for calculation of the molecular polarizability at finite (imaginary) frequency using approximated Thomas-Fermi + von Weizacker scheme
CPV/ Source files for Car-Parrinello code CP/FPMD
atomic/ Source files for the pseudopotential generation package atomic_doc/ Documentation, tests and examples for the above
iotk/ Input/Output Toolkit
GUI/ Graphical User Interface (PWgui)