Hello, all ADF users:

I'm trying in vain to understand the 'average-of-state' assignement of
fractional occupations in ADF sample run for multiplet states of
Cr(NH3)6.

Could anyone explain to me how the fractional occupations were actualy
calculated?

Thanks !

Irina
        *****************************************
        Irina Novozhilova
        Secretary to Prof. Philip Coppens
        Department of Chemistry
        733 Natural Sciences & Math Complex
        State University of New York at Buffalo
        Buffalo, New York 14260-3000
        E-mail: ivn_at_acsu.buffalo.edu
        Tel.: +1 (716) 645-6800 x.2218
        Fax : +1 (716) 645-6948
        *****************************************
Received on 2001-06-13 11:45:34