bgw2pw.x: input description

# Input File Description ## Program: bgw2pw.x / PWscf / Quantum Espresso (version: 6.6)
> > ### TABLE OF CONTENTS INTRODUCTION &INPUT_BGW2PW prefix | outdir | real_or_complex | wfng_flag | wfng_file | wfng_nband | rhog_flag | rhog_file ### INTRODUCTION
> >     Purpose of bgw2pw.x:
> >        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 prefix.save/data-file.xml and
> >     writes files prefix.save/charge-density.dat (charge density in R-space),
> >     prefix.save/gvectors.dat (G-vectors for charge density and potential),
> >     prefix.save/K$n/eigenval.xml (eigenvalues and occupations for nth k-point),
> >     prefix.save/K$n/evc.dat (wavefunctions in G-space for nth k-point), and
> >     prefix.save/K$n/gkvectors.dat (G-vectors for nth k-point).

> >     bgw2pw.x doesn't modify file prefix.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).

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

> >        &INPUT_BGW2PW
> >          ...
> >        /
## Namelist: &INPUT_BGW2PW
prefix | STRING
Status: | MANDATORY
>     prefix of files saved by program pw.x
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outdir | STRING
Default: | './'
>     the scratch directory where the massive data-files are written
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real_or_complex | INTEGER
Default: | 2
>     1 | 2
>     1 for real flavor of BerkeleyGW (for systems with inversion symmetry and
>     time-reversal symmetry) or 2 for complex flavor of BerkeleyGW (for systems
>     without inversion symmetry and time-reversal symmetry)
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wfng_flag | LOGICAL
Default: | .FALSE.
>     read wavefunctions in G-space from BerkeleyGW WFN file
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wfng_file | STRING
Default: | 'WFN'
>     name of BerkeleyGW WFN input file. Not used if wfng_flag = .FALSE.
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wfng_nband | INTEGER
Default: | 0
>     number of bands to write (0 = all). Not used if wfng_flag = .FALSE.
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rhog_flag | LOGICAL
Default: | .FALSE.
>     read charge density in G-space from BerkeleyGW RHO file
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rhog_file | STRING
Default: | 'RHO'
>     name of BerkeleyGW RHO input file. Not used if rhog_flag = .FALSE.
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This file has been created by helpdoc utility on Wed Dec 02 08:04:46 CET 2020.