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<input_description distribution="Quantum ESPRESSO" package="PWscf" program="pw2gw.x" >
   <toc>
   </toc>
   <intro>
<b>Purpose of pw2gw.x:</b>
   Optical properties in single-particle approach (Fermi Golden Rule).
   Interface with GW and excitonic codes.

   The code computes and writes (&quot;matrixelements&quot; file) the optical matrix elemenents in the
   dipole approximation.

   The code computes the imaginary part of the dielectric tensor xx, yy and zz (&quot;epsX.dat&quot;, &quot;epsY.dat&quot;,
   &quot;epsZ.dat&quot;) and the average (&quot;epsTOT.dat&quot;)

<b>Structure of the input data:</b>
============================

   <b>&amp;INPUTPP</b>
     ...
   <b>/</b>
   </intro>
   <namelist name="INPUTPP" >
      <var name="prefix" type="STRING" >
         <status> MANDATORY
         </status>
         <info>
the first part of the name of all the file written by the code
should be equal to the value given in the main calculations.
         </info>
      </var>
      <var name="outdir" type="STRING" >
         <default> &quot;./&quot;
         </default>
         <info>
the scratch directory where the massive data-files are written
         </info>
      </var>
      <var name="what" type="STRING" >
         <default> &quot;gw&quot;
         </default>
         <info>
&quot;gw&quot; : Calculate dipole optical matrix elements (use for norm-conserving pseudopotentials)
and imaginary part of the dielectric function.

&quot;gmaps&quot;: write g-maps for each processor in a file &quot;fort.&apos;100 + processor number&apos;&quot;
         </info>
      </var>
      <var name="qplda" type="LOGICAL" >
         <default> .FALSE.
         </default>
         <info>
if .TRUE. write the interface file &quot;QPLDA&quot; to GW and BSE codes (chisig, dpforexc).
         </info>
      </var>
      <var name="vxcdiag" type="LOGICAL" >
         <default> .FALSE.
         </default>
         <info>
if .TRUE. calculates the expectation value of the exchange and correlation potential
on all the Kohn-Sham states and write it into the &quot;vxcdiag.dat&quot; file.
         </info>
      </var>
      <var name="vkb" type="LOGICAL" >
         <default> .FALSE.
         </default>
         <info>
    if .TRUE. use Kleyman-Bylander projectors to write additional informatio into fort.15 file
(Still in development)
         </info>
      </var>
      <var name="Emin" type="REAL" >
         <default> 0.0
         </default>
         <info>
Starting photon energy for which the dielectric function is calculated (in eV)
         </info>
      </var>
      <var name="Emax" type="REAL" >
         <default> 30.0
         </default>
         <info>
Highest photon energy for which the dielectric function is calculated (in eV)
         </info>
      </var>
      <var name="DeltaE" type="REAL" >
         <default> 0.05
         </default>
         <info>
Energy step with which the dielectric function is calculated (in eV)
         </info>
      </var>
   </namelist>
</input_description>
