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PROCAR with spin-orbit

Posted: Fri Jul 16, 2010 4:20 pm
by spakinfo
Dear admin and vasp users,

Can any of you explain clearly, what is the order for the four sets of data in PROCAR when spin-orbit coupling is turned on?
I know that the first set is the orbital-projected contributions to the wavefucntion for each ion and the other three (probably) are the orbital-projected contributions to the magnetization. But what is the EXACT order of magnetization vectors. The second to fourth sets correspond to which of the followings:

1) mx, my and mz
or
2) my, mz and mx

Please somebody answer this basic question for me!

Thanks

Re: PROCAR with spin-orbit

Posted: Wed Sep 11, 2024 2:24 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP