How to include spin-fluctuations in the PH/EPW calculations
Posted: Mon Dec 18, 2023 7:30 am
Dear Developers,
I would like to know if it is possible to incorporate spin-fluctuations in the phonon/EPW calculations as reported in a PRX paper (PHYS. REV. X 10, 041003 (2020)) and in an another recent paper by S. DAS et al.,(https://www.nature.com/articles/s41524-023-01017-4)? Has this utility been developed yet or not? Spin-orbit coupling (SOC) is not the right mechanism for the spin-fluctuations, right?
Also I would like to know in which output file I can find the electron-phonon matrix elements? ph.out file has no matrix elements as presented in the following tutorial by Ponce https://indico.ictp.it/event/8301/sessi ... al/0/0.pdf.
Could someone help?
Thank you
Shubham
I would like to know if it is possible to incorporate spin-fluctuations in the phonon/EPW calculations as reported in a PRX paper (PHYS. REV. X 10, 041003 (2020)) and in an another recent paper by S. DAS et al.,(https://www.nature.com/articles/s41524-023-01017-4)? Has this utility been developed yet or not? Spin-orbit coupling (SOC) is not the right mechanism for the spin-fluctuations, right?
Also I would like to know in which output file I can find the electron-phonon matrix elements? ph.out file has no matrix elements as presented in the following tutorial by Ponce https://indico.ictp.it/event/8301/sessi ... al/0/0.pdf.
Could someone help?
Thank you
Shubham