NAME

       pwi2xsf - convert the pw.x input file to XSF format

SYNOPSIS

       pwi2xsf [-r] file

DESCRIPTION

       pwi2xsf  extracts the atomic structure from pw.x input file and prints the XSF formated structure data to
       standard output.  It is a utility program of xcrysden package (http://www.xcrysden.org/) and XSF  is  the
       native xcrysden structure format (http://www.xcrysden.org/doc/XSF.html).

       If file is specified as "-" then standard input is read.

OPTION

       -r  For old pw.x versions < 1.2 one must spefify the ityp-->nat conversion and the corresponding data are
           writen  to  file  nuclei.charges.  The  -r  flag  deletes  this  file  as  to  force  new  ityp-->nat
           specification.

COPYRIGHT

       Copyright (C) 1996--2012 Anton Kokalj

       This program is free software; you can redistribute it and/or modify  it  under  the  terms  of  the  GNU
       General  Public License as published by the Free Software Foundation; either version 2 of the License, or
       (at your option) any later version.  You should have received a copy of the GNU  General  Public  License
       along  with  this  program;  if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite
       330, Boston, MA 02111-1307, USA.

       This program is distributed in the hope that it will be useful, but WITHOUT ANY  WARRANTY;  without  even
       the  implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public
       License for more details.

XCrySDen                                          March 9, 2012                                       pwi2xsf(1)