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
PROCAR with spin-orbit
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spakinfo
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PROCAR with spin-orbit
Last edited by spakinfo on Fri Jul 16, 2010 4:20 pm, edited 1 time in total.
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support_vasp
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Re: PROCAR with spin-orbit
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.
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VASP