[Wien] How to read Electron density Plot ?
Gavin Abo
gsabo at crimson.ua.edu
Fri Apr 20 04:16:03 CEST 2012
Try clicking Display in the top menu, then Atomic Symbols in xcrysden.
On 4/19/2012 9:06 PM, qwef fwefwe wrote:
> Respected All Wien2k users
>
> Its My First email to group .
>
> 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 .
> 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 .
> Is there any way to display the names of atoms in electron density
> Plot in wien2k or by using xcrysden ?
>
> Looking for warm responce
>
>
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