.TH pwi2xsf 1 "March 9, 2012" "XCrySDen" "XCrySDen"

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

.SH SYNOPSIS
.B pwi2xsf
.RI [ \-r ]
\fIfile\fR

.SH DESCRIPTION
\fBpwi2xsf\fR extracts the atomic structure from \fBpw.x\fR input
file and prints the XSF formated structure data to standard output.
It is a utility program of \fBxcrysden\fR package
(\fIhttp://www.xcrysden.org/\fR) and XSF is the native \fBxcrysden
structure format\fR (\fIhttp://www.xcrysden.org/doc/XSF.html\fR).

If \fIfile\fR is specified as "-" then standard input is read.

.SH OPTION

.TP 4
\fB\-r 
For old \fBpw.x\fR versions < 1.2 one must spefify the
\fIityp\fR-->\fInat\fR conversion and the corresponding data are
writen to file \fInuclei.charges\fR. The \fB\-r\fR flag deletes this
file as to force new \fIityp\fR-->\fInat\fR specification.

.SH "COPYRIGHT"

Copyright (C) 1996--2012 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.