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

2024-05-07 Thread Eesha Sanjay Andharia
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

[QE-users] Registrations to the PWTK-2024 Tutorial are now open!

2024-05-07 Thread Tone Kokalj
Dear Quantum ESPRESSO community Registrations are now open for the PWTK-2024 Tutorial (20–24 May, 14h – 16h CEST), which aims to equip participants with the skills to efficiently automate Quantum ESPRESSO calculations by employing built- in workflows or creating their own. The tutorial will cover