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  <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1PW91CFunctional.html">PW91CFunctional</a>
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<h1>sc::PW91CFunctional Class Reference</h1><!-- doxytag: class="sc::PW91CFunctional" --><!-- doxytag: inherits="sc::DenFunctional" -->The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional.  
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="functional_8h_source.html">functional.h</a>&gt;</code>
<p>
<div class="dynheader">
Inheritance diagram for sc::PW91CFunctional:</div>
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<p><center><img src="classsc_1_1PW91CFunctional.png" usemap="#sc::PW91CFunctional_map" border="0" alt=""></center>
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<p>
<a href="classsc_1_1PW91CFunctional-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="de8fd95cf0c56186670615fee00b7ab9"></a><!-- doxytag: member="sc::PW91CFunctional::PW91CFunctional" ref="de8fd95cf0c56186670615fee00b7ab9" args="(const Ref&lt; KeyVal &gt; &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>PW91CFunctional</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> &gt; &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f9751544f4b0454ed99d9dd801efb27d"></a><!-- doxytag: member="sc::PW91CFunctional::PW91CFunctional" ref="f9751544f4b0454ed99d9dd801efb27d" args="(StateIn &amp;)" -->
&nbsp;</td><td class="memItemRight" valign="bottom"><b>PW91CFunctional</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top">void&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1PW91CFunctional.html#38469b6230a7401d4f164850c106b2a6">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &amp;)</td></tr>

<tr><td class="mdescLeft">&nbsp;</td><td class="mdescRight">Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them.  <a href="#38469b6230a7401d4f164850c106b2a6"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4172e6adff804cce0e04c205200c99ff"></a><!-- doxytag: member="sc::PW91CFunctional::need_density_gradient" ref="4172e6adff804cce0e04c205200c99ff" args="()" -->
int&nbsp;</td><td class="memItemRight" valign="bottom"><b>need_density_gradient</b> ()</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a9c1efe1dc4ca832bdad2ae715f7380e"></a><!-- doxytag: member="sc::PW91CFunctional::point" ref="a9c1efe1dc4ca832bdad2ae715f7380e" args="(const PointInputData &amp;, PointOutputData &amp;)" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><b>point</b> (const <a class="el" href="structsc_1_1PointInputData.html">PointInputData</a> &amp;, <a class="el" href="structsc_1_1PointOutputData.html">PointOutputData</a> &amp;)</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="82bb245e691bf215a457c5701b9c821e"></a><!-- doxytag: member="sc::PW91CFunctional::set_spin_polarized" ref="82bb245e691bf215a457c5701b9c821e" args="(int)" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><b>set_spin_polarized</b> (int)</td></tr>

<tr><td colspan="2"><br><h2>Protected Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1143b8cc5d1c034245f667c052ec6e65"></a><!-- doxytag: member="sc::PW91CFunctional::init_constants" ref="1143b8cc5d1c034245f667c052ec6e65" args="()" -->
void&nbsp;</td><td class="memItemRight" valign="bottom"><b>init_constants</b> ()</td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6deefd1c62e9326b12e6b77241a2876a"></a><!-- doxytag: member="sc::PW91CFunctional::limit_df_drhoa" ref="6deefd1c62e9326b12e6b77241a2876a" args="(double rhoa, double gamma, double ec, double decdrhoa)" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>limit_df_drhoa</b> (double rhoa, double gamma, double ec, double decdrhoa)</td></tr>

<tr><td colspan="2"><br><h2>Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="cada89ca88c24d1feb7d7d75eb80da20"></a><!-- doxytag: member="sc::PW91CFunctional::local_" ref="cada89ca88c24d1feb7d7d75eb80da20" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>&lt; <a class="el" href="classsc_1_1LSDACFunctional.html">LSDACFunctional</a> &gt;&nbsp;</td><td class="memItemRight" valign="bottom"><b>local_</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="34a25b5f658e9fecbdfa30c0896b93c4"></a><!-- doxytag: member="sc::PW91CFunctional::a" ref="34a25b5f658e9fecbdfa30c0896b93c4" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>a</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="db2b6ffcf85d3c545c816740b08ac85d"></a><!-- doxytag: member="sc::PW91CFunctional::b" ref="db2b6ffcf85d3c545c816740b08ac85d" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>b</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a20111c99354cb90a657bd9a769f7fee"></a><!-- doxytag: member="sc::PW91CFunctional::c" ref="a20111c99354cb90a657bd9a769f7fee" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>c</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="baca2389371e81ec374df387c9226823"></a><!-- doxytag: member="sc::PW91CFunctional::d" ref="baca2389371e81ec374df387c9226823" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>d</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7add0d14a0803321fc9737e47fe283b1"></a><!-- doxytag: member="sc::PW91CFunctional::alpha" ref="7add0d14a0803321fc9737e47fe283b1" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>alpha</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d3aa4287b1ba78a14880e0972c24aaf9"></a><!-- doxytag: member="sc::PW91CFunctional::c_c0" ref="d3aa4287b1ba78a14880e0972c24aaf9" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>c_c0</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c47d5a2fc26e4bb2d23a7a245e18bd15"></a><!-- doxytag: member="sc::PW91CFunctional::c_x" ref="c47d5a2fc26e4bb2d23a7a245e18bd15" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>c_x</b></td></tr>

<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5c000796279015a6b8b6f017ebe02e5c"></a><!-- doxytag: member="sc::PW91CFunctional::nu" ref="5c000796279015a6b8b6f017ebe02e5c" args="" -->
double&nbsp;</td><td class="memItemRight" valign="bottom"><b>nu</b></td></tr>

</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The Perdew-Wang 1991 correlation functional computes energies and densities using the designated local correlation functional. 
<p>
J. P. Perdew, Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids held in Gaussig (Germany), March 11-15, 1991, P. Ziesche and H. Eschrig, eds., pp. 11-20.<p>
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, and D. J. Singh, Phys. Rev. B, 46, 6671, 1992. <hr><h2>Member Function Documentation</h2>
<a class="anchor" name="38469b6230a7401d4f164850c106b2a6"></a><!-- doxytag: member="sc::PW91CFunctional::save_data_state" ref="38469b6230a7401d4f164850c106b2a6" args="(StateOut &amp;)" -->
<div class="memitem">
<div class="memproto">
      <table class="memname">
        <tr>
          <td class="memname">void sc::PW91CFunctional::save_data_state           </td>
          <td>(</td>
          <td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> &amp;&nbsp;</td>
          <td class="paramname">          </td>
          <td>&nbsp;)&nbsp;</td>
          <td><code> [virtual]</code></td>
        </tr>
      </table>
</div>
<div class="memdoc">

<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">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="classsc_1_1DenFunctional.html#d4eedef269673357cfe99e6267a235da">sc::DenFunctional</a>.</p>

</div>
</div><p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="functional_8h_source.html">functional.h</a></ul>
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