# SPARC

SPARC (Simulation Package for Ab-initio Real Space Calculations) is an open-source software package for the accurate, efficient, and scalable solution of the Kohn-Sham equations. The package is straightforward to install/use and highly competitive with state-of-the-art planewave codes, demonstrating comparable performance on a small number of processors and order-of-magnitude advantages as the number of processors increases. Notably,

the current version of SPARC brings solution times down to a few seconds for systems with O(100-500) atoms on large-scale parallel computers, outperforming planewave counterparts by an order of magnitude and more. Future versions will target similar solution times for large-scale systems containing many thousands of atoms, and the efficient solution of systems containing a hundred thousand atoms and more.

SPARC is installed at Hive and PACE, Georgia Institute of Technology and Quartz, Lawrence Livermore National Laboratory

### Software Application

### Supercomputers

### Documentation

### Publications

Xu, Q., Sharma, A., Comer, B., Huang, H., Chow, E., Medford, A.J., Pask, J.E. and Suryanarayana, P., 2020. SPARC: Simulation Package for Ab-initio Real-space Calculations. arXiv preprint arXiv:2005.10431.

Ghosh, S. and Suryanarayana, P., 2017. SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems. Computer Physics Communications, 216, pp.109-125.