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Dear admin,
Does e-ph coupling and usual phonon calculation in VASP support SOC+U? I'm able to run usual phonon calculation with 5.4.4 with SOC+U on without error, but not sure if the related tags are ignored or not.
Best,
Yujia
Hi Yujia,
thank you for reaching out to us on the official VASP forum.
Phonon calculations support SOC and +U and the combination and should show any problems. For electron-phonon coupling SOC is supported and tested. However, +U is not tested that much. It should work but please check results carefully, i.e. start with the simple LDAUTYPE=2 and you can compare a no U calculation with a calculation with U=0.01 or similar. Let us know if you encounter any problems.
Best,
Alex H.