[Pw_forum] (no subject)
vineetkumar.pandey at students.iiserpune.ac.in
Tue Jul 4 11:08:13 CEST 2017
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
Phone: +91 8853094275
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users