Energy gap
Posted: Tue Jul 18, 2017 12:22 am
Dear developers,
At first, I'm working on quantum dots and I'm wondering if my results are correct or not.
When I performed DFT calculations, I found in the r-setup file that my system is a semi-metal. But when I did GW calculations, checking o.qp file, I found that DFT gap is 0.12 eV and GW is 1.91 eV.
What do you think of this results?
Thank you.
Hala Ouarrad
PhD student at Mohammed V University, Morocco.
At first, I'm working on quantum dots and I'm wondering if my results are correct or not.
When I performed DFT calculations, I found in the r-setup file that my system is a semi-metal. But when I did GW calculations, checking o.qp file, I found that DFT gap is 0.12 eV and GW is 1.91 eV.
What do you think of this results?
Thank you.
Hala Ouarrad
PhD student at Mohammed V University, Morocco.