[QE-users] Fermi energy shift in band structure

PRASAD SANKALPA WANNINAYAKA 2019s17502 at stu.cmb.ac.lk
Sat Feb 24 17:06:35 CET 2024


Dear QE users,

I'm new to QE. I'm studying the band structure of ilmenite. To plot the
band structure, I have performed band structure calculations. However, the
fermi energy has shifted upward compared to the reference plot from the
Materials project site. With this email, I have attached plots and input
files. I need to know what is the reason for this. Is there a way to solve
this problem?

*inputs and plots:*

https://drive.google.com/drive/folders/1b6A3lAlCVRJ5r_8DJW7Eh-AwANOOKW9x?usp=sharing
<https://drive.google.com/drive/folders/1b6A3lAlCVRJ5r_8DJW7Eh-AwANOOKW9x?usp=sharing>

Thank you

Prasad Sankalpa
University of Colombo

-- 


The information of this email is
confidential. If you have received it by 
error, please inform us by email and
then delete the message. It is illegal 
to disclose the contents of this message
to anyone. The integrity or 
security of this email cannot be guaranteed over
the Internet.  Therefore, 
the
sender/university will not be responsible for any damage caused by this 
email.

SINHALA <https://cmb.ac.lk/email-policy/sinhala#disclaimer> | TAMIL 
<https://cmb.ac.lk/email-policy/tamil#disclaimer>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240224/6f5b8f48/attachment.html>


More information about the users mailing list