strange conduct calculation result

zsjan · Post by **zsjan** » Thu Aug 10, 2017 7:47 pm

hello abinit users:
I tried to calculate the optical property using conduct utility. I have followed the procedure that I can find. I tried the cases of Al and one semiconductor and the results are reasonable. However, when I use ti to calculate my system the results seem way off. After a lot of trials, I still do not know why. So I am here for expert’s help. The DOS of my system is a metal as in attachment 1. However, the calculated imaginary part of the dielectric function has a gap as in attachment 2.

Is something wrong with my calculation or how to interpret the results? Thank you all!