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<H1><A ID="SECTION00020000000000000000">
1 Introduction</A>
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<P>
This guide covers the usage of <TT>PWneb</TT>, version 6.2.1:
an open-source package for the calculation of energy barriers
and reaction pathway using the Nudged Elastic Band (NEB) method.
<P>
<EM>Important notice: due to the lack of time and of manpower, this
manual is only partially updated and may contain outdated information.</EM>
<P>
This guide assumes that you know the physics
that <TT>PWneb</TT> describes and the methods it implements.
It also assumes that you have already installed,
or know how to install, Q<SMALL>UANTUM </SMALL>ESPRESSO. If not, please read
the general User's Guide for Q<SMALL>UANTUM </SMALL>ESPRESSO, found in
directory <TT>Doc/</TT> two levels above the
one containing this guide; or consult the web site:
<BR><TT>http://www.quantum-espresso.org</TT>.
<P>
<TT>PWneb</TT> is part of the Q<SMALL>UANTUM </SMALL>ESPRESSO distribution and uses the <TT>PWscf</TT> package as electronic-structure computing tools (``engine'').
It is however written in a modular way and could be adapted
to use other codes as ``engine''. Note that since v.4.3 <TT>PWscf</TT> no
longer performs NEB calculations. Also note that NEB with
Car-Parrinello molecular dynamics is not implemented anymore since v.4.3.
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