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<input_description distribution="Quantum Espresso" package="PWscf" program="bgw2pw.x" >
   <toc>
   </toc>
   <intro>
<b>Purpose of bgw2pw.x:</b>
   Converts BerkeleyGW WFN and RHO files to the format of pw.x.
   NO LONGER WORKING AFTER v.6.3.
   This can be useful, for example, if you generate the plane waves
   on top of the valence bands and want to diagonalize them in pw.x.
   Look at the documentation for SAPO code in BerkeleyGW for more information.

bgw2pw.x reads common parameters from file <ref>prefix</ref>.save/data-file.xml and
writes files <ref>prefix</ref>.save/charge-density.dat (charge density in R-space),
<ref>prefix</ref>.save/gvectors.dat (G-vectors for charge density and potential),
<ref>prefix</ref>.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
<ref>prefix</ref>.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
<ref>prefix</ref>.save/K$n/gkvectors.dat (G-vectors for nth k-point).

bgw2pw.x doesn&apos;t modify file <ref>prefix</ref>.save/data-file.xml so make changes to this
file manually (for example, you will need to change the number of bands if you
are using bgw2pw.x in conjunction with SAPO code in BerkeleyGW).

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

   <b>&amp;INPUT_BGW2PW</b>
     ...
   <b>/</b>
   </intro>
   <namelist name="INPUT_BGW2PW" >
      <var name="prefix" type="STRING" >
         <status> MANDATORY
         </status>
         <info>
prefix of files saved by program pw.x
         </info>
      </var>
      <var name="outdir" type="STRING" >
         <default> &apos;./&apos;
         </default>
         <info>
the scratch directory where the massive data-files are written
         </info>
      </var>
      <var name="real_or_complex" type="INTEGER" >
         <default> 2
         </default>
         <info>
1 | 2
<b>1</b> for real flavor of BerkeleyGW (for systems with inversion symmetry and
time-reversal symmetry) or <b>2</b> for complex flavor of BerkeleyGW (for systems
without inversion symmetry and time-reversal symmetry)
         </info>
      </var>
      <var name="wfng_flag" type="LOGICAL" >
         <default> .FALSE.
         </default>
         <info>
read wavefunctions in G-space from BerkeleyGW WFN file
         </info>
      </var>
      <var name="wfng_file" type="STRING" >
         <default> &apos;WFN&apos;
         </default>
         <info>
name of BerkeleyGW WFN input file. Not used if <ref>wfng_flag</ref> = .FALSE.
         </info>
      </var>
      <var name="wfng_nband" type="INTEGER" >
         <default> 0
         </default>
         <info>
number of bands to write (0 = all). Not used if <ref>wfng_flag</ref> = .FALSE.
         </info>
      </var>
      <var name="rhog_flag" type="LOGICAL" >
         <default> .FALSE.
         </default>
         <info>
read charge density in G-space from BerkeleyGW RHO file
         </info>
      </var>
      <var name="rhog_file" type="STRING" >
         <default> &apos;RHO&apos;
         </default>
         <info>
name of BerkeleyGW RHO input file. Not used if <ref>rhog_flag</ref> = .FALSE.
         </info>
      </var>
   </namelist>
</input_description>
