  An early-stage version of simulation package is developed for electronic
structure calculation and dynamics of atom process in large-scale systems,
particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup
Language (XML)-style in the input and the output of our simulation code, and
developed some modeling and analysis tools for dynamical simulations of atomic
processes. GaAs bulk system was calculated to demonstrate that the present code
can handle systems with more than one atom specie.
