Re: [Wien] DOS

2014-10-02 Thread Oliver Albertini
This may have to do with the atom's multiplicity, see:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07956.html

Excerpts from Hosein Khani's message of 2014-10-02 17:13:45 -0400:
> After plotting DOS for orbitals totally and partially (for instance total
> d, dz2, dx2y2,...), it is always observed that the total DOS is not the sum
> of partial DOS! Could you please tell me the reason?
> 
> Yours
> Hosein

-- 
Sincerely, 

Oliver Albertini
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[Wien] DOS

2014-10-02 Thread Hosein Khani
After plotting DOS for orbitals totally and partially (for instance total
d, dz2, dx2y2,...), it is always observed that the total DOS is not the sum
of partial DOS! Could you please tell me the reason?

Yours
Hosein
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