[Pw_forum] (no subject)

[Giovanni Cantele]

Because the planar average is defined as the planar integral divided by the in-plane unit cell area, maybe you are getting the total charge divided by this area. Try to multiply your result by this area (maybe in a.u.^2) and see what happens

Giovanni


> On 4 Jul 2017, at 11:08, VineetKumar Pandey <vineetkumar.pandey at students.iiserpune.ac.in> wrote:
> 
> 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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-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.fisica.unina.it/~cantele

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