[Wien] 4f multiplet

[pluto]

Dear All,

I have been calculating bands for a ternary compound containing Dy. Dy 
4f exhibits a complex multiplet in photoemission. Is there a correct way 
to get something at least approximately correct from GGA+U? Or is it 
hopeless because of the correlated nature of the photoemission final 
states (there are many more than 7 terms in the final state)? I was 
hoping to get something approximately correct to be able to look at the 
orbital decomposition.

I also noticed that w2web does not plot fat bands for Dy 4f(3,3) orbital 
(Ylm decomposition calculated using qtl). An empty PS file is created. 
All other 4f Ylm orbital fat bands are plotted just fine. Things do not 
depend on which other orbitals and in which order are calculated by qtl, 
as can defined in case.inq. An example of case.inq file calculating s 
and f levels in Ylm basis:

-9.0   3.0           Emin  Emax
    1                 number of atoms
    1   1  0  0       iatom,qsplit,symmetrize,locrot
2   0  3       nL, l-values

Loc-rot matrix on Dy in case.struct is an identity:

Dy         NPT=  781  R0=0.00001000 RMT=    2.5000   Z: 66.000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                      0.0000000 1.0000000 0.0000000
                      0.0000000 0.0000000 1.0000000

Best,
Lukasz