Properties calculated with the ASW method

• Electronic Properties
  • electronic dispersions E (k) (''band structure'')
  • electronic wave functions
    
    • projected band structures (''fat bands'')
  • total/partial (site/state projected) densities of states (DOS)
  • Fermi surfaces
  • electron densities
  • Laplacians of the electron density
  • Bader analysis of the electron density
  • electric field gradients
  • electron densities at nuclei --> isomer shifts
  • core level spectra

• Cohesive and Elastic Properties
  • cohesive energies
  • bulk moduli
  • elastic constants
  • phonon frequencies

• Chemical Bonding
  • total/partial crystal orbital overlap populations (COOP)

• Magnetic Properties
  • total and site/state projected magnetic moments
  • magnetic ordering (ferro-, ferri-, antiferromagnetic)
  • magnetic energies
  • spin densities
  • spin densities at nuclei --> hyperfine fields

• Optical Properties
  • plasma frequency
  • optical conductivity
  • dielectric function
  • index of refraction
  • extinction coefficient
  • optical reflectivity
  • optical absorption
  • energy-loss function

• Transport Properties
  • electrical conductivity
  • thermopower
  • thermoelectric power factor
  • thermoelectric figure of merit
  • thermal conductivity
  • Hall conductivity
  • Hall coefficient

	ASW Homepage	Volker Eyert's Homepage
Last revision: 09.03.2018
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