openmx-data - 3.8.5+dfsg1-1 main

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.
.
This package contains the 2013 database of fully relativistic pseudopotentials
(VPS) and pseudo-atomic orbitals (PAO), generated by ADPACK.