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<H2><A NAME="SECTION00031000000000000000"></A>
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<BR>
2.1 Download
</H2>
<P>
Presently, Q<SMALL>UANTUM </SMALL>ESPRESSO is distributed in source form; some precompiled
executables (binary files) are provided for <TT>PWgui</TT>.
Packages for the Debian Linux distribution are however
made available by <TT>debichem</TT> developers.
Stable releases of the Q<SMALL>UANTUM </SMALL>ESPRESSO source package (current version
is 5.1) can be downloaded from the Download section
of <TT>www.quantum-espresso.org</TT>. If you plan to run
on GPU machines, download the GPU-enabled version, also reachable
from the same link.
<P>
Uncompress and unpack the base distribution using the command:
<PRE>
tar zxvf espresso-X.Y.Z.tar.gz
</PRE>
(a hyphen before "zxvf" is optional) where <TT>X.Y.Z</TT> stands for the
version number. If your version of <TT>tar</TT>
doesn't recognize the "z" flag:
<PRE>
gunzip -c espresso-X.Y.Z.tar.gz | tar xvf -
</PRE>
A directory <TT>espresso-X.Y.Z/</TT> will be created.
<P>
Additional packages that are not included in the base distribution
will be downloaded on demand at compile time, using <TT>make</TT>
(see Sec.<A HREF="node12.html#SubSec:Compilation">2.5</A>).
Note however that this will work only if the computer you are
installing on is directly connected to the internet and has
either <TT>wget</TT> or <TT>curl</TT> installed and working.
If you run into trouble, manually download each required package
into subdirectory <TT>archive/</TT>, <EM>not unpacking or
uncompressing it</EM>:
command <TT>make</TT> will take care of this during installation.
<P>
Package <TT>GWL</TT> needs a manual download and installation:
please follow the instructions given at <TT>gww.qe-forge.org</TT>.
<P>
The bravest may access the development version via anonymous access to the
Subversion (SVN) repository: <TT>qe-forge.org/gf/project/q-e/scmsvn</TT>,
link ''Access Info'' on the left. See also the Developer Manual
(<TT>Doc/developer_man.pdf</TT>), section ''Using SVN''.
Beware: the development version
is, well, under development: use at your own risk!
<P>
The Q<SMALL>UANTUM </SMALL>ESPRESSO distribution contains several directories. Some of them are
common to all packages:
<P>
<TABLE CELLPADDING=3>
<TR><TD ALIGN="LEFT"><TT>Modules/</TT></TD>
<TD ALIGN="LEFT">source files for modules that are common to all programs</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>include/</TT></TD>
<TD ALIGN="LEFT">files *.h included by fortran and C source files</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>clib/</TT></TD>
<TD ALIGN="LEFT">external libraries written in C</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>flib/</TT></TD>
<TD ALIGN="LEFT">external libraries written in Fortran</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>install/</TT></TD>
<TD ALIGN="LEFT">installation scripts and utilities</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>pseudo</TT>/</TD>
<TD ALIGN="LEFT">pseudopotential files used by examples</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>upftools/</TT></TD>
<TD ALIGN="LEFT">converters to unified pseudopotential format (UPF)</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>Doc/</TT></TD>
<TD ALIGN="LEFT">general documentation</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>archive/</TT></TD>
<TD ALIGN="LEFT">contains plug-ins in .tar.gz form</TD>
</TR>
</TABLE>
<BR>
while others are specific to a single package:
<P>
<TABLE CELLPADDING=3>
<TR><TD ALIGN="LEFT"><TT>PW/</TT></TD>
<TD ALIGN="LEFT"><TT>PWscf</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>NEB/</TT></TD>
<TD ALIGN="LEFT"><TT>PWneb</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>PP/</TT></TD>
<TD ALIGN="LEFT"><TT>PostProc</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>PHonon/</TT></TD>
<TD ALIGN="LEFT"><TT>PHonon</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>PWCOND/</TT></TD>
<TD ALIGN="LEFT"><TT>PWcond</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>CPV/</TT></TD>
<TD ALIGN="LEFT"><TT>CP</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>atomic/</TT></TD>
<TD ALIGN="LEFT"><TT>atomic</TT> package</TD>
</TR>
<TR><TD ALIGN="LEFT"><TT>GUI/</TT></TD>
<TD ALIGN="LEFT"><TT>PWGui</TT> package</TD>
</TR>
</TABLE>
<P>
Finally, directory <TT>COUPLE/</TT> contains code and documentation
that is useful to call Q<SMALL>UANTUM </SMALL>ESPRESSO programs from external codes.
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<ADDRESS>
paolo giannozzi
2014-05-28
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