Dear WIEN2k user,

I am now doing optical properties calculation for semimetals. I have a few 
question related to the energy shift in case.inkram file. If I don't do energy 
shift, I can't get a reasonable results compared to experiments. That brings me 
into two questions.

First, what is energy shift here? How do you determine whether you need energy 
shift or not?
Second,how do you determine the exact number of shift, is it shown in some file?


Thanks in advance


Sincerely

Wangwei Lan
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to