Skip to content

Releases: SPARC-X/M-SPARC

M-SPARC v2.0.0

11 Dec 16:40
@phanish-suryanarayana phanish-suryanarayana
v2.0.0
c83196f
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Learn about vigilant mode.
Compare
Choose a tag to compare
M-SPARC v2.0.0 Latest
Latest

The new features of M-SPARC v2.0.0 include

  • Spin-orbit coupling (SOC)
  • Dispersion interactions through DFT-D3, vdW-DF1, and vdW-DF2
  • Meta-GGA (SCAN) exchange-correlation functional
  • Hybrid exchange-correlation functionals
  • Testing framework
  • Soft and transferable table of SPMS pseudopotentials
Assets 2
Loading

M-SPARC v1.0.0

03 Feb 21:54
@phanish-suryanarayana phanish-suryanarayana
v1.0.0
3bedf1e
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Learn about vigilant mode.
Compare
Choose a tag to compare
M-SPARC v1.0.0

The main features of M-SPARC v1.0.0 include

  • Boundary conditions for crystals, surfaces, wires, and molecules.
  • Calculation of ground state energy, atomic forces, and stress tensor.
  • Unconstrained collinear magnetization via spin polarized calculations.
  • Structural relaxation and molecular dynamics (MD).
  • LDA and GGA exchange correlation functionals.
  • ONCV and TM pseudopotentials in psp8 (ABINIT) format.
Assets 2
Loading