[Wien] LDA+U with frozen d-shell
    Alessandro Mirone 
    mirone at esrf.fr
       
    Wed Feb  8 08:48:15 CET 2006
    
    
  
Dear Wien community
     does the program lapwdm for the density matrix
account also for frozen orbitals?
In other words I would like to know if  , converging
to a solution of the SCF problem with a frozen shell
and then calculating unfrozen eigenvectors in the potential
of the frozen problem, the frozen field has the U correction
of the frozen shell which acts on the unfrozen vector
Best regards
                  Alessandro Mirone
    
    
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