<div>Dear QE users,</div><div> presently i am working with BN sheet, for that i want to calculate the </div><div> 1. total charge of the system,</div><div> 2. charge of each B and N atoms in my system (if i know this, i will get the answer for the first question) and </div>
<div> 3. how much charge is transferred between B and N atoms </div><div>its possible to calculate the above parameters with QE? if yes, how can i calculate? send me any link or examples which used to calculate the above parameters. i searched in forum, but i did not get the answers. please provide your suggestions and guidance regarding this.</div>
<div><br></div><div> <b><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:16px"> </span><span style="background-color:rgb(255,255,255);color:rgb(34,34,34);font-family:arial,sans-serif;font-size:16px">Thanks in advance.</span></b></div>
<div><br></div><div><br></div>-- <br>Regards:<br>
M.Kamaraj, <br>Central Leather Research Institute(CSIR-CLRI),<br>
Adyar, Chennai, India. 600 020.