Bug#428265: ITP: openmx -- Package for nano-scale material simulations

["Ondrej Certik" <ondrej@certik.cz>]

Package: wnpp
Owner: Ondrej Certik <ondrej@certik.cz>
Severity: wishlist

* Package name    : openmx
 Version         : 3.2
 Upstream Author : Taisuke Ozaki
* URL             : http://www.openmx-square.org/
* License         : GPL
 Programming Lang: C
 Description     : Package for nano-scale material simulations


OpenMX (Open source package for Material eXplorer) is a program package for
nano-scale material simulations based on density functional theories (DFT),
norm-conserving pseudopotentials and pseudo-atomic localized
basis functions. Since the code is designed for the realization of
large-scale ab initio calculations on parallel computers, it is anticipated
that OpenMX can be a useful and powerful tool for nano-scale material sciences
in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic
materials, and nanoscale conductors.