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 ? Kindly guide
________________________________ From: Gavin Abo <gsabo at crimson.ua.edu> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at> Sent: Friday, April 20, 2012 10:16 AM Subject: Re: [Wien] How to read Electron density Plot ? 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 _______________________________________________ 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/20120419/549fa00b/attachment.htm>