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.