[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
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120419/8379a916/attachment.htm>


More information about the Wien mailing list