Excited state properties p p - WIEN 2k

More documents

Recommendations

Info

The Program …
SCF cycle → converged potential x kgen → dense mesh x lapw1 → Kohn-Sham <strong>state</strong>s (higher E max ) x lapw2 -Fermi → Fermi distribution optic package x optic x joint x kram → momentum matrix elements → tensor components → optical constants ↔ life time broadening ↔ scissors shift The Program Flow
Page 1 and 2: Excited state properties p within W
Page 3 and 4: Light-Matter Interaction
Page 5 and 6: The dielectric tensor Free electro
Page 7 and 8: Optical constants Complex dielectr
Page 9 and 10: Sumrules Light-Matter Interaction
Page 11: Magneto-optics: optics: example wi
Page 15 and 16: joint Al.injoint 1 18 lower and up
Page 17 and 18: optic joint kram case.symmat case
Page 19 and 20: Convergence m ε nterba and Im I 17
Page 21 and 22: Loss function 120 100 Loss fu uncti
Page 23 and 24: Density of states 4 DOS [ states pe
Page 25 and 26: Theory versus experiment K. Glantsc
Page 27 and 28: … and Beyond
Page 29: MBPT mixing of concepts 4 point f

Excited state properties p p - WIEN 2k

Create successful ePaper yourself

Delete template?

Save as template?