Self-consistent electronic structure calculations with multigrid acceleration

We present an efficient one-way multigrid method for self-consistent electr onic structure calculations based on iterative energy minimization within t he framework of density functional theory. Total energy calculations are pe rformed on several different levels of grids with grid spacing ratios other than 2. The usefulness of a noninteger ratio for the grid spacing in the p resent scheme is shown by comparing the current scheme with usual calculati ons.