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<TITLE>User's Guide for The Quantum ESPRESSO Car-Parrinello Molecular Dynamics</TITLE>
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<BR> <FONT SIZE="+4"><TT>CP</TT> User's Guide (v. 6.6)
<BR><FONT SIZE="+2">(only partially updated)
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<LI><A ID="tex2html3"
HREF="node1.html">Contents</A>
<LI><A ID="tex2html4"
HREF="node2.html">1 Introduction</A>
<LI><A ID="tex2html5"
HREF="node3.html">2 Compilation</A>
<LI><A ID="tex2html6"
HREF="node4.html">3 Input data</A>
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<LI><A ID="tex2html7"
HREF="node5.html">3.1 Data files</A>
<LI><A ID="tex2html8"
HREF="node6.html">3.2 Format of arrays containing charge density, potential, etc.</A>
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<LI><A ID="tex2html9"
HREF="node7.html">4 Using <TT>CP</TT></A>
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<LI><A ID="tex2html10"
HREF="node8.html">4.1 Reaching the electronic ground state</A>
<LI><A ID="tex2html11"
HREF="node9.html">4.2 Relax the system</A>
<LI><A ID="tex2html12"
HREF="node10.html">4.3 CP dynamics</A>
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<LI><A ID="tex2html13"
HREF="node10.html#SECTION00053010000000000000">4.3.0.1 Varying the temperature </A>
<LI><A ID="tex2html14"
HREF="node10.html#SECTION00053020000000000000">4.3.0.2 Nośe thermostat for electrons </A>
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<LI><A ID="tex2html15"
HREF="node11.html">4.4 Advanced usage</A>
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<LI><A ID="tex2html16"
HREF="node11.html#SECTION00054100000000000000">4.4.1 Self-interaction Correction </A>
<LI><A ID="tex2html17"
HREF="node11.html#SECTION00054200000000000000">4.4.2 ensemble-DFT </A>
<LI><A ID="tex2html18"
HREF="node11.html#SECTION00054300000000000000">4.4.3 Free-energy surface calculations</A>
<LI><A ID="tex2html19"
HREF="node11.html#SECTION00054400000000000000">4.4.4 Treatment of USPPs</A>
<LI><A ID="tex2html20"
HREF="node11.html#SECTION00054500000000000000">4.4.5 Hybrid functional calculations using maximally localized Wannier functions</A>
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<LI><A ID="tex2html21"
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