[QE-users] 2D Band structure calculation attempt

Saim Egemen YÜCEL 20290601 at ogrenci.ankara.edu.tr
Wed Dec 11 19:23:26 CET 2024


Hello everyone newbie here, I am trying to calculate the band structure for 2D GeSe. As you can see, I am getting a result. (Don't worry about the k-points, I didn't name them correctly.) In the second picture, you can see the band structure graph I got from materialscloud. I couldn't understand the reason for my mistake. I think I made a mistake while determining the k-point. I would be very happy if you could help me with this. Thanks in advance :) 
Input documents are attached. 

I am working on this since the last summer. I am an undergraduate student who has just entered this field. This is a very important study for me, I would be very happy if you could spare some of your valuable time. 


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