*** FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST ***

------------------------------------------------------------------------
INPUT FILE DESCRIPTION

Program: pw2gw.x / PWscf / Quantum ESPRESSO (version: 7.5)
------------------------------------------------------------------------


Purpose of pw2gw.x:
   Optical properties in single-particle approach (Fermi Golden Rule).
   Interface with GW and excitonic codes.

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

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

Structure of the input data:
============================

   &INPUTPP
     ...
   /



========================================================================
NAMELIST: &INPUTPP

   +--------------------------------------------------------------------
   Variable:       prefix
   
   Type:           STRING
   Status:         MANDATORY
   Description:    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.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       outdir
   
   Type:           STRING
   Default:        "./"
   Description:    the scratch directory where the massive data-files are written
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       what
   
   Type:           STRING
   Default:        "gw"
   Description:    "gw" : Calculate dipole optical matrix elements (use for norm-conserving pseudopotentials)
                   and imaginary part of the dielectric function.
                   
                   "gmaps": write g-maps for each processor in a file "fort.'100 + processor number'"
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       qplda
   
   Type:           LOGICAL
   Default:        .FALSE.
   Description:    if .TRUE. write the interface file "QPLDA" to GW and BSE codes (chisig, dpforexc).
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       vxcdiag
   
   Type:           LOGICAL
   Default:        .FALSE.
   Description:    if .TRUE. calculates the expectation value of the exchange and correlation potential
                   on all the Kohn-Sham states and write it into the "vxcdiag.dat" file.
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       vkb
   
   Type:           LOGICAL
   Default:        .FALSE.
   Description:    if .TRUE. use Kleyman-Bylander projectors to write additional informatio into fort.15 file
                   (Still in development)
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       Emin
   
   Type:           REAL
   Default:        0.0
   Description:    Starting photon energy for which the dielectric function is calculated (in eV)
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       Emax
   
   Type:           REAL
   Default:        30.0
   Description:    Highest photon energy for which the dielectric function is calculated (in eV)
   +--------------------------------------------------------------------
   
   +--------------------------------------------------------------------
   Variable:       DeltaE
   
   Type:           REAL
   Default:        0.05
   Description:    Energy step with which the dielectric function is calculated (in eV)
   +--------------------------------------------------------------------
   
===END OF NAMELIST======================================================


This file has been created by helpdoc utility on Wed Sep 03 14:29:00 CEST 2025