[Pw_forum] (no subject)

[VineetKumar Pandey]

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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