<div>Dear vamsi kv:</div>
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<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">&gt;can we know waht is the initial charge density guess</blockquote>
<div>May be you can get it by setting &quot;Convergence threshold for selfconsistency&quot; very large.</div>
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<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>
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<div><span style="FONT-SIZE: 14px">I think  &quot;Partial charge density.&quot; 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>
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