Overview and new features

 

 Manual 7.7

 

Manual 8.6

 

 

 

• Examples

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

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

 

 

Features:

• Arbitrary ordered/disordered
  three dimensionally periodic systems

• Surfaces in cluster or slab approximation

• Spin-polarised

• Scalar- and Fully relativistic

• Non-collinear spin configurations

• SCF-potential

• Dispersion relation

• Bloch spectral Function

• Density of states

• Spin- and Orbital Moments

• Hyperfine Fields

• Magnetic Form Factors

• Spin- and orbital susceptibility

• Knight-shift

• Field-induced MCXD

• Residual Resistivity of Alloys

• Valence Band Photoemission

• Core level Photoemission

• non-relativistic Appearance Potential
  Spectroscopy

• 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: