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Dear all,

I have a question about the charge density and I'm wondering if you could give me some help? Based on what I discussed before in the forums, the resulting values in the CHGCAR file is the charge at (x,y,z) multiplied by (N_x N_y N_z). In this case, if I want to give a charge density plot, do I simplily divided these values by (N_x N_y N_z) and then visualize the file in software like vesta?

Kind regards,
Shenlan

Are you aware that Vesta can read CHGCAR files?

Otherwise, for the visualization a constant prefactor does not matter, you just need to adjust the isosurface level accordingly.

Hi, I do realize that Vesta can visualize CHGCAR file directly, but one thing I'm not sure is that what is the unit for the charge density in Vesta?

You will need to ask the VESTA developers whether they change the units compared to what VASP writes in the CHGCAR file.