---
name: "pwi2xsf"
section: "1"
platform: "linux"
package: "xcrysden"
version: "1.6.2-4"
release: "Debian 13 (Trixie)"
platforms: ["linux"]
url: "https://new.carta.tech/pwi2xsf"
---

# pwi2xsf(1)

convert the pw.x input file to XSF format

## NAME

pwi2xsf - convert the pw.x input file to XSF format

## SYNOPSIS

**pwi2xsf** \[*-r*\] *file*

## DESCRIPTION

**pwi2xsf** extracts the atomic structure from **pw.x** or **neb.x** input file and prints the XSF formatted 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 specified as "-" then standard input is read.

## OPTION

- **-r**

  **For old pw.x** versions \< 1.2 one must spefify the *ityp*--\>*nat* conversion and the corresponding data are written to file *nuclei.charges*. The **-r** flag deletes this file as to force new *ityp*--\>*nat* specification.

## 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.