Inquiry About EPW Support for Spin-Polarized Calculations (nspin=2)
Posted: Thu May 15, 2025 8:53 am
Dear Developers,
I would like to investigate polarons in a magnetic material (e.g., MnO₂) using EPW, which requires spin-polarized calculations (nspin=2). However, it appears that EPW currently does not support nspin=2 configurations, though it does support spin-orbit coupling (SOC) calculations. Could you confirm whether this is indeed the case?
Thank you for your time and assistance!
Best regards,
Taifeng
I would like to investigate polarons in a magnetic material (e.g., MnO₂) using EPW, which requires spin-polarized calculations (nspin=2). However, it appears that EPW currently does not support nspin=2 configurations, though it does support spin-orbit coupling (SOC) calculations. Could you confirm whether this is indeed the case?
Thank you for your time and assistance!
Best regards,
Taifeng