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Dear all,

I've done some calculations with spin-orbit-coupling. From that I got a CHGCAR-file containing 4 blocks of data, the first is the charge density and the 3 others are magnetization densities, as I guess (I just concluded, because in the spin-polarized case the first part of the CHGCAR is the charge and the last part is the magnetization density). Well my question now is:

Since in this case it doesn't make sense of talking about spin-up and spin-down, are the 3 magnetization densities the components of the magnetization-field? Is block one the x-component, block two the y-component and so forth?

When I convert the parts seperately to dx-files and put the data into Make3DField I get an error that Make3DField I cannot plot this as a vectorfield using Autocolor, Autoglyph, etc. Has someone an idea on the solution of this problem?


Thank you very much for your replies, thoughts and ideas.

for non-collinear magnetism, the 4 blocks of data refer to
1) the total charge density
2-4) the mx, my and mz components, respectively

I am also confused about this.
Not sure what does the mx my mz components mean? In the manual, it says spin polorization calculation has second part density (spin up minus spin down) which is called magnetism density.