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  <meta name="description" content="A real-space finite-difference pseudopotential program code for first-principles electronic structure calculaitons based on the density functional theory. The real-space method is suitable for massively-parallel computations because it's essentially free from use of the Fast Fourier Transform: in contrast with the most widely adopted method for first-principles calculaitns, the plane-wave basis method. In the real-space method the Kohn-Sham equation is solved as an eigenvalue problem by using a subspace iteration method, which is a standard algorithm for large-sparse eigenvalue problems. The compuattional cost is propotional to the cube of the system size. The materials properties cmputable in the plane-wave method are also computable in the real-space method. The flexibility for setting boundary conditions are sperior to the palen-wave method.">
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