Systems:

  • Arbitrary ordered and disordered three-dimensional periodic systems
  • Surfaces in cluster or slab approximation

Calculation Modes:

  • Non-relativistic: Standard calculations for general systems.
  • Scalar-relativistic: Includes treatments for paramagnetic and spin-polarized systems, non-collinear spin structures, and arbitrary spin spirals.
  • Fully relativistic: Handles paramagnetic and spin-polarized systems with arbitrary spin configurations.

Electronic Properties:

  • Self-Consistent Field (SCF) potential
  • Dispersion relation
  • Bloch spectral function
  • Density of states

Ground State Properties:

  • Spin and orbital moments
  • Hyperfine fields
  • Magnetic form factors

Response Functions:

  • Spin and orbital susceptibility
  • Knight shift
  • Field-induced magnetic Compton scattering
  • Residual resistivity of alloys

Spectroscopic Properties:

  • Valence band photoemission
  • Core level photoemission
  • Non-relativistic appearance potential spectroscopy
  • Non-relativistic and fully relativistic Auger electron spectroscopy
  • X-ray absorption, emission, magneto-optics, and scattering
  • Magnetic Compton scattering
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