I am trying to plot SPIN DENSITY isosurfaces using VESTA. I have used vaspkit option 312 to create SPIN.vasp file which contains spin density from the CHGCAR. Now, when I import data to VESTA it shows the window below to convert or not convert data.

My question is : What is the unit of data in CHGCAR ? and which option should I pick to plot isosurfaces in e/Ang³ unit.

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This is a bit of a boring answer, but chances are you normally want to replace the current data and do nothing. The operation can be used to add or subtract densities to visualize charge differences, but if you just want to plot a spin density you can likely just use replace.

You also probably do not need to convert the units since most VASP-like tools tend to use angstroms and I am assuming vaspkit does not decide to do a unit conversion away from angstrom.


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