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

       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)

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     xcrysdenstructureformat
       (http://www.xcrysden.org/doc/XSF.html).

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

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

-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.

pwi2xsf [-r] file