[Wien] case.inkram energy shift

Lan, Wangwei wl13c at my.fsu.edu
Mon Mar 7 00:29:08 CET 2016


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
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