DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP

The knowledge of the local electronic structure heterogeneous solid materials is crucial for understanding their electronic, magnetic, transport, optical, and other properties. VASP, one mostly used packages density-functional calculations, provides either by projecting wave functions on atomic spheres, or as a band-decomposed partial charge density. Here, we present simple tool which takes density energy eigenvalues calculated VASP input constructs spin densities. new data much better spatial resolution than projection spheres. It can be visualized directly in real space e.g. with Vesta, averaged along planes spanned two lattice vectors periodic unit cell. plane-averaged (spin) states easily plotted color-coded using almost any plotting program. DensityTool applied to manipulate, visualize, understand system VASP. We expect it useful especially researchers concerned inhomogeneous systems, such interfaces, defects, surfaces, adsorbed molecules, hybrid inorganic-organic composites.