debian man page for pwi2xsf

Query: pwi2xsf

OS: debian

Section: 1

Format: Original Unix Latex Style Formatted with HTML and a Horizontal Scroll Bar

pwi2xsf(1)							     XCrySDen								pwi2xsf(1)

NAME
pwi2xsf - convert the pw.x input file to XSF format
SYNOPSIS
pwi2xsf [-r] file
DESCRIPTION
pwi2xsf extracts the atomic structure from pw.x input 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.xcrys- den.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 writen to file nuclei.charges. The -r flag deletes this file as to force new ityp-->nat specification.
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 MER- CHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. XCrySDen March 9, 2012 pwi2xsf(1)
Related Man Pages
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