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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Dear Romeda,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">I don’t think your question is a forum issue! You may get some hints by searching in either xcrysden or PWSCF forum such as:<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><a href="http://www.democritos.it/pipermail/xcrysden/2013-July/001428.html">http://www.democritos.it/pipermail/xcrysden/2013-July/001428.html</a><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><a href="https://www.google.ie/search?q=xcrysden+charge+density+plot+site:www.democritos.it&rlz=1C1CHMO_en-gbIE470IE470&espv=210&es_sm=93">https://www.google.ie/search?q=xcrysden+charge+density+plot+site:www.democritos.it&rlz=1C1CHMO_en-gbIE470IE470&espv=210&es_sm=93</a><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">HTH,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Hadi.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org]
<b>On Behalf Of </b>Romeda Azeen<br>
<b>Sent:</b> 14 March 2014 07:55<br>
<b>To:</b> pw_forum@pwscf.org<br>
<b>Subject:</b> [Pw_forum] Question about difference charge density plot<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">Dear all,<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">I'm a new user of Q.E. Recently I am trying to analyze the difference charge density plots (crystal density minus
the superposed atomic densities) for Gd5Ge4 compound. I got 2D plot via xcrysden utility. But i am troubling to analyze the plots. By using color thermo meter what can we conformed?. i.e if the value is negative/positive or even zero means what?
<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">I want to know the flow from where to where? Is it from lower electro negativity element to higher electro negativity
element? How can we conform the type of bonding between them (ionic, covalent and metallic bonding) from these plots?
<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">Any help will be appreciated. Thank you in advance.<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span dir="RTL"></span><span lang="AR-SA" dir="RTL" style="font-size:14.0pt;color:black"><span dir="RTL"></span> </span><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black"><o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">Romeda<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black">Bhavnagar University Bhavnagar 364002 Gujarat, India<o:p></o:p></span></p>
<p class="MsoNormal" style="background:white"><span style="font-size:10.0pt;font-family:"Helvetica","sans-serif";color:black"><o:p> </o:p></span></p>
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