<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">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<div class=""><br class=""></div><div class="">Giovanni<br class=""><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 4 Jul 2017, at 11:08, VineetKumar Pandey <<a href="mailto:vineetkumar.pandey@students.iiserpune.ac.in" class="">vineetkumar.pandey@students.iiserpune.ac.in</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">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. <br clear="all" class=""><div class=""><div class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div class=""><div class="">Vineet Kumar Pandey<br class=""></div></div>IISER PUNE, INDIA<br class=""></div>PINCODE-411008<br class=""><br class="">Phone: +91 8853094275<br class=""><br class=""></div></div></div></div></div></div></div>
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<div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.fisica.unina.it/~cantele" class="">http://people.fisica.unina.it/~cantele</a><br class=""></div>
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