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<H1><A ID="SECTION00030000000000000000">
2 Compilation</A>
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<P>
<TT>PWscf</TT> is included in the core Q<SMALL>UANTUM </SMALL>ESPRESSO distribution.
Instruction on how to install it can be found in the
general documentation (User's Guide) for Q<SMALL>UANTUM </SMALL>ESPRESSO.
<P>
Typing <TT>make pw</TT> from the main Q<SMALL>UANTUM </SMALL>ESPRESSO directory or
<TT>make</TT> from the <TT>PW/</TT> subdirectory produces
the <TT>pw.x</TT> executable in <TT>PW/src</TT> and a link to the
<TT>bin/</TT> directory. In addition, the following utility
programs, and related links in <TT>bin/</TT>, are produced
in <TT>PW/src</TT>:
<UL>
<LI><TT>dist.x</TT> symbolic link to <TT>pw.x</TT>: reads input data for <TT>PWscf</TT>,
calculates distances and angles between atoms in a cell,
taking into account periodicity
</LI>
</UL>
and in <TT>PW/tools</TT>:
<UL>
<LI><TT>ev.x</TT> fits energy-vs-volume data to an equation of state
</LI>
<LI><TT>kpoints.x</TT> produces lists of k-points
</LI>
<LI><TT>pwi2xsf.sh</TT>, <TT>pwo2xsf.sh</TT> process respectively
input and output files (not data files!) for <TT>pw.x</TT> and <TT>neb.x</TT>
(the latter, courtesy of Pietro Bonfà) and produce an XSF-formatted file
suitable for plotting with XCrySDen:
<TT>http://www.xcrysden.org/</TT>, a powerful crystalline and
molecular structure visualization program.
BEWARE: the <TT>pwi2xsf.sh</TT> shell script requires the
<TT>pwi2xsf.x</TT> executables to be located somewhere in your PATH.
</LI>
<LI>(obsolescent) <TT>bs.awk</TT>, <TT>mv.awk</TT> are scripts that
process the output of <TT>pw.x</TT> (not data files!). Usage:
<PRE>
awk -f bs.awk < my-pw-file > myfile.bs
awk -f mv.awk < my-pw-file > myfile.mv
</PRE>
The files so produced are suitable for use with <TT>xbs</TT>, a very simple
X-windows utility to display molecules, available at:
<BR> <TT>http://www.ccl.net/cca/software/X-WINDOW/xbsa/README.shtml</TT>
</LI>
<LI><TT>cif2qe.sh</TT>: script converting from CIF
(Crystallographic Information File) to a format suitable for Q<SMALL>UANTUM </SMALL>ESPRESSO.
Courtesy of Carlo Nervi (Univ. Torino, Italy).
</LI>
</UL>
Documentation for most auxiliary codes can be found in the codes
themselves, e.g. in the header of source files.
<P>
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