<div>Dear vamsi kv:</div>
<div> </div>
<div><span class="gmail_quote"></span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">>can we know waht is the initial charge density guess</blockquote>
<div>May be you can get it by setting "Convergence threshold for selfconsistency" very large.</div>
<div> </div><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">2.  What is bonding chargedensity?</blockquote>
<div> </div>
<div><span style="FONT-SIZE: 14px">I think  "Partial charge density." may help you;)</span></div><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">-- <br>____________________________________<br>Hui Wang<br>School of physics, Nankai University, Tianjin, China </blockquote>
</div>