unitconv(1)							     XCrySDen							       unitconv(1)

NAME

       unitconv - simple energy and length units converter

SYNOPSIS

       unitconv [unit] value
       unitconv [unit] expression

DESCRIPTION

       unitconv  is  a	simple	energy and length units converter (written in Tcl). It is a utility program of xcrysden package (http://www.xcrys-
       den.org/).

ENERGY UNITS

       The following energy units are supported.  The following list contain the "unit -- description" pairs, where the unit is to be specified on
       the command line.

       au -- Hartree

       ry -- Rydberg

       ev -- eV (electron volt)

       kjm -- kJ/mol

       kj -- kJ

       kcalm -- kcal/mol

       kcal -- kcal

LENGTH UNITS

       The following length units are supported (usage as above):

       angs -- Angstrom

       bohr -- Bohr radius

       m -- meter

EXAMPLES

       Convert a value from eV to other energy units:

       unitconv ev 3.25

       Calculate an expression (values in Rydberg unit) and convert to other energy units (note that expression must be quoted):

       unitconv ry "-103.134567 - (-240.691356 - -2*17.543471)/2"

       In expression also mathematical functions available in tclsh can be used.

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						       unitconv(1)