---------- Původní zpráva ---------- Od: emami seyyed amir abbas <a.a.em...@birjand.ac.ir> Komu: wien@zeus.theochem.tuwien.ac.at Datum: 15. 10. 2016 11:18:32 Předmět: [Wien] optic (transitions)
" Dear users I obtained dielectric function curve (both real and imaginary). There are some peaks in imaginary part of dielectric function which correspond to transition on its band structure. How can i specify which transition in bands correspond to those peaks? Thanks in advance. _______________________________________________" Dear Emaji, in case.injoint you can select switch 5 to "output imaginary part of the dielectric tensor for each band combination". This should be roughly what you want. Just be extra careful when interpreting the results. Band combination actually means band-index combination here, eg. in case of bandcrossings in your electronic structure the band index is not what you would expect as band in fundamental sense. Best regards Pavel
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