<html><head></head><body><div class="ydpd28e484eyahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><div dir="ltr" data-setdir="false">Hi tran, <br></div><div dir="ltr" data-setdir="false">Thank you so much.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Bushra<br></div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><br></div><br><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"><br></div><div><br></div><div class="ydpd28e484esignature"><font style="font-style: italic; text-decoration-line: underline; text-decoration-style: solid; text-decoration-color: currentcolor; color: rgb(255, 0, 0); background-color: rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"><img src="http://mail.yimg.com/us.yimg.com/i/mesg/tsmileys2/01.gif" data-inlineimagemanipulating="true" class=""></span></font><hr style="width:100%;min-height:2px;"><font style="font-style: italic; text-decoration-line: underline; text-decoration-style: solid; text-decoration-color: currentcolor; color: rgb(255, 0, 0); background-color: rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"></span></font></div></div>
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<div><b>From:</b> BUSHRA SABIR <b_sabir437@yahoo.com></div><div><b>To:</b> wien@zeus.theochem.tuwien.ac.at <wien@zeus.theochem.tuwien.ac.at></div><div><b>Sent:</b> Monday, June 21, 2021, 11:11:21 AM PDT</div><div><b>Subject:</b> Problem understanding number of electrons</div><div><br></div>
<div><div id="ydpaeddec8yiv3904312151"><div><div class="ydpaeddec8yiv3904312151ydp2032e925yahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div><div dir="ltr">Hi Wien2k experts ,</div><div dir="ltr"><br></div><div dir="ltr">I am working with CoGe (Bulk), while doing virtual crystal approximation. i need to change NE in case.in2c file.</div><div dir="ltr">In case.in2c file it has 116 electrons.</div><div dir="ltr">I am unable to understand how software count it 116 electrons.</div><div dir="ltr">For 27(Co)+32(Ge) *4 = 236 (since structure has 4 multiplicity with Co and Ge) <br></div><div dir="ltr">or</div><div dir="ltr">3d10 4s2 4p2= 14(Ge) and 3d7+4s2=9(Co) it makes 23*4=92</div><div dir="ltr"><br></div><div dir="ltr">Can anyone help me how can it will be 116.</div><div dir="ltr"><br></div><div dir="ltr">Bushra Sabir<br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><div><br></div><div class="ydpaeddec8yiv3904312151ydp2032e925signature"><font style="font-style:italic;text-decoration-line:underline;text-decoration-style:solid;text-decoration-color:currentcolor;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"><img src="http://mail.yimg.com/us.yimg.com/i/mesg/tsmileys2/01.gif" class="ydpaeddec8yiv3904312151" data-inlineimagemanipulating="true"></span></font><hr style="width:100%;min-height:2px;"><font style="font-style:italic;text-decoration-line:underline;text-decoration-style:solid;text-decoration-color:currentcolor;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"></span></font></div></div></div></div></div></div>
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