I am trying to calculate charge density(rho) as a function of z axis. what I did by using pp.x and then average.x. but when I am integrating rho(z) with respect to z. I am not getting the total charge, that I have in my system. can anybody help me to get out of it? actually, my system is PbI2. and it has 18 e- in a unit cell. Vineet Kumar Pandey IISER PUNE, INDIA PINCODE-411008
Phone: +91 8853094275
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