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Munich SPRKKR band structure program package


Overview and new features


 Manual 7.7


Manual 8.6





The newest public program package (version 8.6) is now available upon request. 

Please register on our SPR-KKR license page VERSION 8.6.





    • Arbitrary ordered/disordered
      three dimensionally periodic systems

    • Surfaces in cluster or slab approximation

Calculation Mode

    • Spin-polarised

    • Scalar- and Fully relativistic

    • Non-collinear spin configurations

Electronic Properties

    • 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 MCXD

    • Residual Resistivity of Alloys

Spectroscopic Properties
including magnetic dichroism

    • Valence Band Photoemission

    • Core level Photoemission

    • non-relativistic Appearance Potential

    • non-relativistic Auger Electron Spectroscopy

    • fully relativistic Auger Electron Spectroscopy

    • X-ray absorption

    • X-ray emission

    • X-ray magneto-Optics

    • X-ray scattering

  • Magnetic Compton scattering

Additional information

Information on parallel calculations with SPRKKR using openmpi: