[Wien] optic (transitions)

[pavel.ondracka at email.cz]

---------- Původní zpráva ----------

Od: emami seyyed amir abbas <a.a.emami at birjand.ac.ir>
Komu: wien at 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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