[Wien] partial DOS

[Gavin Abo]

See the posts:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10872.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10873.html

On 9/21/2015 11:35 AM, Seyyed Amir Abbas Emami wrote:
> ​ dear uses
>
> I am trying to calculate DOS of  compound with stoichiometric  A 2  B 
> 1-x C x by asist of supercell approach.The atom B, in first and end 
> series have one position but in intermediate cases it split into two 
> distinct positions.Now i want to calculate the partial DOS of d 
> orbital of B atom for intermediate cases.Is there any way to calculate 
> the contribution of two atoms simultaneously for d orbitals of B .
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150921/baf8d220/attachment.html>