<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Thank you for your responce Yes I know that xcrysden shows Element symbols in unit cell but I in my electron density Plots I am not sure about the atoms . I am not sure, where are the oxygen atoms in my electron density Plot. Is there any way to identify Atoms in electron density Plots ?</div><div>Kindly guide<br></div> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"> <div dir="ltr"> <font face="Arial" size="2"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Gavin Abo <gsabo@crimson.ua.edu><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Friday,
April 20, 2012 10:16 AM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] How to read Electron density Plot ?<br> </font> </div> <br>
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Try clicking Display in the top menu, then Atomic Symbols in
xcrysden.<br>
<br>
On 4/19/2012 9:06 PM, qwef fwefwe wrote:
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<div>Respected All Wien2k users</div>
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<div>Its My First email to group .<br>
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<div>I have obtained electron density Plot in 110 and 100 Plane
. My compound contains 3 atoms Copper(Z=29) , Alluminium
(Z=13) and Oxygen (Z=8). The total no of atoms in my cell are
14 cosisting of 8 oxygen, 4 Aluminium and 2 Copper atoms . <br>
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<div>My question is that which of these atoms represent Cu, Al
and O in Plots . Do help me to identify them . Can anyone
label them on Plots and send them to me . <br>
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<div>Is there any way to display the names of atoms in electron
density Plot in wien2k or by using xcrysden ?</div>
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Looking for warm responce</div>
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