RESCU

RESCU (Real Space Electronic Structure Calculator) is a KS-DFT calculation software that enables the study of extremely large systems using only a small computer. It combines the advantages of plane waves, linear combinations of atomic orbitals, variable-precision grids, and an information-based snow filter algorithm. Through multiple numerical algorithm optimizations, it significantly reduces the burden of traditional DFT calculations while maintaining DFT accuracy, making DFT calculations of systems containing tens of thousands of atoms possible. This represents a landmark new approach to solving KS-DFT problems for extremely large systems. RESCU has been widely applied to a wide range of fields, including metals, semiconductors, insulators, liquids, DNA, 1D, 2D, and 3D structures, surfaces, molecules, magnetic and non-magnetic structures, impurities, and solids.