2. Optical Properties of Solids - WIEN 2k

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2. Optical Properties of Solids - WIEN 2k

2. Optical Properties of Solids - WIEN 2k

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Loss Function120100Loss function80intraband6040total20interband00 5 10 15 20Energy [eV]Example: Al

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Non-collinear magnetism in WIEN2k

Installtion of Wien2k (P.Blaha)

A Package for calculating elastic tensors of cubic - WIEN 2k

userguide WIEN2WANNIER: From linearized augmented ... - WIEN 2k

2 - WIEN 2k

Calculation and interpretations of NMR Chemical shifts - WIEN 2k

A Package for calculating elastic tensors of cubic - WIEN 2k

Introduction to Solid State theory, DFT and the APW-method - WIEN 2k

Tutorial 1: Spontaneous polarization in BaTiO3 (approx ... - WIEN 2k

Relativistic effects, spin-orbit coupling and non-collinear ... - WIEN 2k

(spin-orbit) and - WIEN 2k

Calculating the effective U in APW methods. NiO - WIEN 2k

Elastic constants calculation - WIEN 2k

A Package for calculating elastic tensors of cubic - WIEN 2k

N eff[electrons]54321Sumrules165 k-points4735 k-pointsExperiment00 10 20 30 40 50 60 70 80 90 100Energy [eV]Example: Al

Loss Function120100Loss function80intraband6040total20interband00 5 10 15 20Energy [eV]Example: Al

Page 1 and 2: Optical Properties of SolidsClaudia
Page 3 and 4: OutlineBasicsProgramExamplesOutlook
Page 5 and 6: Light - Matter InteractionResponse
Page 8 and 9: Optical "Constants"Complex dielectr
Page 10 and 11: SumrulesOptical Properties
Page 12 and 13: Magneto-opticswithout magnetic fiel
Page 14 and 15: Wavefunction vs. DensityHartree-Foc
Page 16 and 17: The Band Gap ProblemIonization ener
Page 18 and 19: Program FlowSCF cycleconverged pote
Page 20 and 21: al.injoint"joint"1 18 lower and upp
Page 22 and 23: opticcase.symmatcase.mommatmomentum
Page 24 and 25: Results ....
Page 28 and 29: Theory - ExperimentExample: Platinu