Inquiry About EPW Support for Spin-Polarized Calculations (nspin=2)

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Taifeng Liu
Posts: 5
Joined: Fri Sep 20, 2024 8:21 am
Affiliation: Henan University

Inquiry About EPW Support for Spin-Polarized Calculations (nspin=2)

Post by Taifeng Liu »

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
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