[QE-users] Calculating absorption curve along XX and YY axis for 2D material

Eesha Sanjay Andharia esandhar at uark.edu
Wed May 8 06:48:33 CEST 2024


Hi everyone,
    I understand that we have to set ipol=4 to calculate absorption. However, I have a 2D material and I want absorption in only XX and YY direction separately.  Is there a script to extract the oscillator strength in separate directions?
Please help.

Best regards,
Eesha
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240508/c8d91ec4/attachment.html>


More information about the users mailing list