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<hr><h1>sc::PZ81LCFunctional Class Reference</h1>Implements the PZ81 local (LSDA) correlation functional.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="functional_h-source.html">functional.h</a>></code>
<p>
Inheritance diagram for sc::PZ81LCFunctional<p><center><img src="class_sc__PZ81LCFunctional_inherit_graph.gif" border="0" usemap="#sc::PZ81LCFunctional_inherit_map" alt="Inheritance graph"></center>
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<area href="class_sc__DenFunctional.html" shape="rect" coords="26,280,135,299">
<area href="class_sc__SavableState.html" shape="rect" coords="30,214,131,232">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::PZ81LCFunctional:<p><center><img src="class_sc__PZ81LCFunctional_coll_graph.gif" border="0" usemap="#sc::PZ81LCFunctional_coll_map" alt="Collaboration graph"></center>
<map name="sc::PZ81LCFunctional_coll_map">
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<area href="class_sc__DenFunctional.html" shape="rect" coords="26,280,135,299">
<area href="class_sc__SavableState.html" shape="rect" coords="30,214,131,232">
<area href="class_sc__DescribedClass.html" shape="rect" coords="23,147,138,166">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__PZ81LCFunctional-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::PZ81LCFunctional::PZ81LCFunctional"></a>
</td><td valign=bottom><b>PZ81LCFunctional</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::PZ81LCFunctional::PZ81LCFunctional"></a>
</td><td valign=bottom><b>PZ81LCFunctional</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::PZ81LCFunctional::PZ81LCFunctional"></a>
</td><td valign=bottom><b>PZ81LCFunctional</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::PZ81LCFunctional::~PZ81LCFunctional"></a>
</td><td valign=bottom><b>~PZ81LCFunctional</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__PZ81LCFunctional.html#a4">save_data_state</a> (<a class="el" href="class_sc__StateOut.html">StateOut</a> &)</td></tr>
<tr><td> </td><td><font size=-1><em>Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.</em> <a href="#a4">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::PZ81LCFunctional::point_lc"></a>
void </td><td valign=bottom><b>point_lc</b> (const <a class="el" href="struct_sc__PointInputData.html">PointInputData</a> &, <a class="el" href="struct_sc__PointOutputData.html">PointOutputData</a> &, double &, double &, double &)</td></tr>
<tr><td colspan=2><br><h2>Protected Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="b0" doxytag="sc::PZ81LCFunctional::Fec_rsgt1"></a>
double </td><td valign=bottom><b>Fec_rsgt1</b> (double rs, double beta_1, double beta_2, double gamma)</td></tr>
<tr><td nowrap align=right valign=top><a name="b1" doxytag="sc::PZ81LCFunctional::dFec_rsgt1_drho"></a>
double </td><td valign=bottom><b>dFec_rsgt1_drho</b> (double rs, double beta_1, double beta_2, double gamma, double &dec_drs)</td></tr>
<tr><td nowrap align=right valign=top><a name="b2" doxytag="sc::PZ81LCFunctional::Fec_rslt1"></a>
double </td><td valign=bottom><b>Fec_rslt1</b> (double rs, double A, double B, double C, double D)</td></tr>
<tr><td nowrap align=right valign=top><a name="b3" doxytag="sc::PZ81LCFunctional::dFec_rslt1_drho"></a>
double </td><td valign=bottom><b>dFec_rslt1_drho</b> (double rs, double A, double B, double C, double D, double &dec_drs)</td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
Implements the PZ81 local (LSDA) correlation functional.
<p>
This local correlation functional is used in P86.
<p>
J. P. Perdew and A. Zunger, Phys. Rev. B, 23, pp. 5048-5079, 1981.
<p>
<hr><h2>Member Function Documentation</h2>
<a name="a4" doxytag="sc::PZ81LCFunctional::save_data_state"></a><p>
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<td nowrap valign="top"><b>
void sc::PZ81LCFunctional::save_data_state (
</b></td>
<td valign="bottom"><b>
<a class="el" href="class_sc__StateOut.html">StateOut</a> & <em>s</em> )<code> [virtual]</code>
</b></td>
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</td>
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<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.
<p>
This must be implemented by the derived class if the class has data.
<p>
Reimplemented from <a class="el" href="class_sc__LSDACFunctional.html#a4">sc::LSDACFunctional</a>. </td>
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</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="functional_h-source.html">functional.h</a></ul>
<hr>
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