[Wien] electron occupancy of d orbital
    Devendra Singh Negi 
    devendranegi at jncasr.ac.in
       
    Tue Feb  3 04:47:45 CET 2015
    
    
  
Dear Prof.Blaha and WIEN2K user
                                 I am studying the charge transfer process caused by defect in CoO system. Calculated DOS plot suggests the charge transfer and spin configuration rearrangement near to vacancy atom. However I intended to find the occupancy of electron in every d orbitals(or eg/t2g)after the scf calculation. So how or in which file i can find the electron occupancy of d orbital? I guess case.outputst gives the occupancy before the SCF calculation???
Thanks
Devendra Singh Negi
ICMS,JNCAS
Bangalore
    
    
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