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juDFT - Home of the DFT codes in Juelich
juDFT: DFT from FZ-Jülich

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SPEX
Spex is an independent program and part of the Jülich FLAPW code family.

It gives access to theoretical spectra and quasiparticle properties employing TDDFT and the GW approximation. As it is based on the all-electron FLAPW method, a large variety of materials can be treated. The code was written with a focus on computational efficiency and ease of use.

Features:

  • Quasiparticle calculations for band-gap materials,
  • Quasiparticle calculations for metals,
  • Optical response and EELS spectra (RPA and TDDFT)
  • Magnetic response (TDDFT and MBPT)
  • Spin-orbit coupling
  • Treatment of spin-polarized systems and (semi)core states
  • Self-energy evaluated with analytic continuation or contour integration

Spex is written and maintained by Christoph Friedrich, Manfred Niesert and Ersoy Sasioglu.

For further questions about Spex contact Symbol - Mail LinkChristoph Friedrich.

Forschungszentrum Jülich, D-52425 Jülich Institute for Advanced Simulation
Institute Quantum Theory of Materials Impressum
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Page last modified:
October 08, 2012