pwo2xsf(1)

NAME

   pwo2xsf - convert the pw.x output file to XSF format

SYNOPSIS

   pwo2xsf [special-option] coordinates-option [file]

DESCRIPTION

   pwo2xsf extracts atomic structures from pw.x output 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 not specified then standard input is read.

SPECIAL OPTION

   -r dim
       Reduce periodic dimension to dim, i.e., dim = 2, 1, or 0.

COORDINATES OPTIONS

   These  options  specify  which cordinates to extract. The possibilities
   are:

   -ic file
   --inicoor file
       Extract the initial, that is, input ionic coordinates.

   -lc file
   --latestcoor file
       Extract the latest printed ionic coordinates from pw.x output file.

   -oc file
   --optcoor file
       Similar  to  "--latestcoor"  but  extracts   just   the   optimized
       coordinates if present or else nothing.

   -a file
   --animxsf file
       Extract the coordinates of all ionic steps as Animated-XSF.

   -nc file
   --nebcoor PW.out
       Extract  the  coordinates  and  forces  from the PW.out file of NEB
       (path) calculation.

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.

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