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SPARC v2.0.0

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@phanish-suryanarayana phanish-suryanarayana released this 11 May 21:23
· 133 commits to master since this release
v2.0.0
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Learn about vigilant mode.

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)
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