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pwo2xsf(1)			   XCrySDen			    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 pro-
       gram of xcrysden	package	(http://www.xcrysden.org/) and XSF is the  na-
       tive 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  coordi-
	   nates 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--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 MER-
       CHANTABILITY or FITNESS FOR A PARTICULAR	PURPOSE.  See the GNU  General
       Public License for more details.

XCrySDen			August 7, 2019			    pwo2xsf(1)

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