pwo2xsf - convert the pw.x output file to XSF format
Contents
Coordinates Options
These options specify which cordinates to extract. The possibilities are:
-icfile--inicoorfile
Extract the initial, that is, input ionic coordinates.
-lcfile--latestcoorfile
Extract the latest printed ionic coordinates from pw.x output file.
-ocfile--optcoorfile
Similar to "--latestcoor" but extracts just the optimized coordinates if present or else nothing.
-afile--animxsffile
Extract the coordinates of all ionic steps as Animated-XSF.
-ncfile--nebcoorPW.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)
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 xcrysdenstructureformat (http://www.xcrysden.org/doc/XSF.html).
If file is not specified then standard input is read.
Name
pwo2xsf - convert the pw.x output file to XSF format
Special Option
-rdim
Reduce periodic dimension to dim, i.e., dim = 2, 1, or 0.
Synopsis
pwo2xsf [special-option] coordinates-option [file]
