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Hi,

I would like to plot the charge flow due to an adsorption on metal surface. In order to that, I calculated the CHGCAR for the hole system as well as for the fragments. What would be the easiest way to calculate the charge density difference ? I know fortran can do that. I am wondering after we differentiate the (CHGCAR_totalsystem - CHGCAR-molecule - CHGCAR-metal_surface), what would the next step to extract the charge flow?

I wrote a fortran code to do this CHGCAR difference but I need one more step to extract the information as an plot.

Any hints please?

Thank you for your time.

Hi,

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