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

[Eesha Sanjay Andharia]

Hi everyone,
  I am still waiting on this one. Is it already posted in the forum before?

Best,
Eesha
________________________________
From: Eesha Sanjay Andharia <esandhar at uark.edu>
Sent: Thursday, May 9, 2024 11:50 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Calculating absorption curve along XX and YY axis for 2D material

Hi,
 any idea on this one:
    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.

Thank you!
Eesha


________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Eesha Sanjay Andharia <esandhar at uark.edu>
Sent: Wednesday, May 8, 2024 10:55 PM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Calculating absorption curve along XX and YY axis for 2D material

Hi,
  I am still waiting on some input for this one. Can anyone help, please!

Thank you!
Eesha
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Eesha Sanjay Andharia <esandhar at uark.edu>
Sent: Tuesday, May 7, 2024 11:48 PM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] Calculating absorption curve along XX and YY axis for 2D material

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/20240608/8f5798ad/attachment.html>