---
name: "pwo2xsf"
section: "1"
platform: "linux"
package: "xcrysden"
version: "1.6.2-4"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/pwo2xsf"
---

# pwo2xsf(1)

convert the pw.x output file to XSF format

## 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.