Presently, QUANTUM ESPRESSO is only distributed in source form;
some precompiled executables (binary files) are provided only for PWgui.
Stable releases of the QUANTUM ESPRESSO source package (current version
is 4.1.1) can be downloaded from this URL:
http://www.quantum-espresso.org/download.php .
Uncompress and unpack the distribution using the command:
tar zxvf espresso-4.1.tar.gz(a hyphen before "zxvf" is optional). If your version of "tar" doesn't recognize the "z" flag:
gunzip -c espresso-4.1.tar.gz | tar xvf -A directory espresso-4.1.1/, 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-4.1/ patch -p1 < /path/to/the/diff/file/patch-file.diff
If more than one patch is present, they should be applied in the correct order.
Daily snapshots of the development version can be downloaded from the developers' site qe-forge.org: follow the link ''Quantum ESPRESSO'', then ''SCM''. Beware: the development version is, well, under development: use at your own risk! The bravest may access the development version via anonymous CVS (Concurrent Version System): see the developer manual, section ''Using CVS''.
The QUANTUM ESPRESSO distribution contains several directories. Some of them are common to all packages:
Modules/ source files for modules that are common to all programs include/ files *.h included by fortran and C source files clib/ external libraries written in C flib/ external libraries written in Fortran iotk/ Input/Output Toolkit install/ machine-dependent makefiles pseudo/ pseudopotential files used by examples upftools/ converters to unified pseudopotential format (UPF) examples/ sample input and output files tests/ automated tests Doc/ documentationwhile others are specific to a single package:
PW/ PWscf: source files for scf calculations (pw.x) pwtools/ PWscf: source files for miscellaneous analysis programs PP/ PostProc: source files for post-processing of pw.x data file PH/ PHonon: source files for phonon calculations (ph.x) and analysis Gamma/ PHonon: source files for Gamma-only phonon calculation (phcg.x) D3/ PHonon: source files for third-order derivative calculations (d3.x) PWCOND/ PWcond: source files for conductance calculations (pwcond.x) vdW/ 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