M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations
Matlab-Simulation Package for Ab-initio Real-space Calculations (M-SPARC) is a real-space code for performing electronic structure calculations based on Kohn-Sham Density Functional Theory (DFT). It provides a rapid prototyping platform for the development and testing of new algorithms and methods in real-space DFT. In particular, it employs the same algorithms, code layout, input files, and output files as the large-scale parallel C/C++ code SPARC. Additionally, it provides a convenient avenue for the accurate first principles study of small to moderate sized systems.
Accuracy/Examples
