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Hello Everyone,
I have a doubt regarding the generalized Bloch theorem implemented in VASP. Can I use the generalized Bloch theorem to relax a spin spiral configuration (unit cell) and then use that relaxed unit cell for phonon calculation, keeping the generalized Bloch theorem during the phonon calculation? Basically, I want to ask: Can the generalized Bloch theorem be applied during phonon calculations?

It will be of great help if anyone kindly clears up my doubt.

Thanks in advance .

Dear payal_saha,

VASP can indeed work with the Genralised Bloch Theorem, and I would suggest that you read the relevant pages on the subject (spin spirals) and the associated input file variables: LSPIRAL, QSPIRAL, and LZEROZ.

However, I am not sure that the formalism with spin spirals is also present at the level of the phonon routines. I will query my colleagues and come back with an answer.

Kind regards,
Pedro Melo

Dear pedro_melo,

Thank you for the kind reply . It would be extremely helpful if you could clear up my confusion regarding this point.

However, I am not sure that the formalism with spin spirals is also present at the level of the phonon routines. I will query my colleagues and come back with an answer.

With regards,
Payal Saha