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 > <[email protected]> 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- 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: [email protected] 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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