2. Optical Properties of Solids - WIEN 2k

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al.injoint"joint"1 18 lower and upper band index0.000 0.001 1.000 E min, dE, Emax [Ry]eVoutput units eV / Ry4 switch1 number of columns to be considered0.1 0.2 broadening for Drude modelchoose gamma for each case!SWITCH0...JOINT DOS for each band combination1...JOINT DOS sum over all band combinations2...DOS for each band3...DOS sum over all bands4...Im(EPSILON) total5...Im(EPSILON) for each band combination6...INTRABAND contributions7...INTRABAND contributions including band analysisInputs
"kram"al.inkram0.1 broadening gamma0.0 energy shift (scissors operator)1 add intraband contributions 1/012.6 plasma frequency0.2 gamma(s) for intraband partas number of columsas number of columsDielectric function8070 Silicon60504030ImεReε20100-10Γ=0.05eV-200 1 2 3 4 5 6Energy [eV]si.inkram0.05 broadening gamma1.00 energy shift (scissors operator)0....Inputs
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 22 and 23: opticcase.symmatcase.mommatmomentum
Page 24 and 25: Results ....
Page 26 and 27: N eff[electrons]54321Sumrules165 k-
Page 28 and 29: Theory - ExperimentExample: Platinu

2. Optical Properties of Solids - WIEN 2k

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