[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 ___ Wien mailing list

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