[Wien] DOS

hazem salem salemhadihazem at yahoo.com
Tue Oct 18 16:08:20 CEST 2005


Dear Wien users,
                        In bulk calculations it is easy to use the template for case.int for the DOS plot. Now I'm trying to plot the density of states for the centeral atom  of a five atomic layer slab , so how can I specify the atom in the plot (how to modify case.int). I mean how can I tell wien to calculate DOS for a specific atom in the  slab.
 
Thanks in advance
Hazem

		
---------------------------------
 Yahoo! Music Unlimited - Access over 1 million songs. Try it free.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20051018/0f56e843/attachment.html


More information about the Wien mailing list