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--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                                       pwo2xsf(1)