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.xcrysden.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 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.