strange conduct calculation result

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zsjan
Posts: 1
Joined: Thu Aug 10, 2017 7:43 pm

strange conduct calculation result

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!
Attachments
11.png
11.png (15.56 KiB) Viewed 1912 times
22.png
22.png (22.59 KiB) Viewed 1912 times

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