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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)

NAME | SYNOPSIS | DESCRIPTION | SPECIAL OPTION | COORDINATES OPTIONS | COPYRIGHT

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