SPARC v2.0.0

The new features of SPARC v2.0.0 include

• Spin-orbit coupling
• Dispersion interactions through DFT-D3, vdW-DF1, and vdW-DF2.
• Meta-GGA exchange-correlation functionals
• Hybrid exchange-correlation functionals
• Nonlinear core corrections (NLCC)
• Automated testing framework
• SPMS table of pseudopotentials
• Increased efficiency and parallel scaling (up to 2x faster than v1.0.0)

SPARC v1.0.0

SPARC is an open-source software package for the accurate, effcient, and scalable solution of the Kohn-Sham density functional theory (DFT) problem. The main features of SPARC v1.0.0 include

• Isolated systems such as molecules and clusters as well as extended systems such as crystals, surfaces, and wires.
• Calculation of ground state energy, atomic forces, and stress tensor.
• Unconstrained collinear magnetization via spin polarized calculations.
• Structural relaxation and quantum molecular dynamics (QMD).
• Local and semilocal exchange correlation functionals.
• ONCV and TM pseudopotentials in psp8 (ABINIT) format.