SPRKKR

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SPRKKR

Munich SPRKKR band structure program package

bsf1

Short description

Overview and new features
Download SPRKKR Presentation

Manual
Download SPRKKR Manual

Examples

The program package (version 5.4) is available upon request

1) download licence agreement form and send with a short description of planned application to authors
NOTE: the description of planned applications is necessary to judge wether SPRKKR is suitable or not.
It is absolutely mandatory (otherwise there will be no response from us).

Download SPRKKR license agreement form

2) after approval register using the password obtained from authors

Registration

3) the package will come via email within few days

Workshop October 2010
Workshop June 2009

Munich SPRKKR Package

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
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:

Download MPI howto

Last Updated on Tuesday, 22 March 2011 15:43

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