NAME

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

SYNOPSIS

       pwi2xsf [-r] file

DESCRIPTION

       pwi2xsf  extracts  the  atomic  structure  from  pw.x  or  neb.x  input file and prints the XSF formatted
       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
           written to  file  nuclei.charges.  The  -r  flag  deletes  this  file  as  to  force  new  ityp-->nat
           specification.

COPYRIGHT

       Copyright (C) 1996--2019 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                                         August 7, 2019                                       pwi2xsf(1)