I am extracting charge (ql, qr) on the electrode using the output in log file generated from the commands given in the file , I want to calculate specific capacitance (F/g) or Integral capacitance using the data I extracted from the log file …

I am using aqueous KOH and water system.

What is the the way to do that?

lammpsinput.in (6.6 KB)

Calculating capacitance is done in the typical electrical engineering ways: integral capacitance is average charge divided by voltage; differential capacitance is the slope of an average charge vs voltage fitted curve; specific capacitance is capacitance divided by mass, area, or some other quantity of interest.

Can we calculate the capacitance of the electrode using the outputs I have? I am extracting total charge on left electrode and right electrode after given number of timesteps

Capacitance value for every voltage is coming similar , is it right?