In Wien2k 12.1, $WIENROOT/SRC_qtl/ltext.f contains the following line:
txt(3,2)=' f,x3-3xy2,y3-3yx2,z(x2-y2),xyz,xz2,yz2,z3, real basis '
Is this the general set for f-orbitals, it looks like it?
ltext.f seems to be unused code. Instead, $WIENROOT/SRC_qtl/qtltext.f
is used, which contains:
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Why not, but I think that it is not really more simple than just looking
at the number n_occ of (partially) occupied bands in case.scf and choosing
nband = n_occ + a few more bands. But remember that nband in case.inhf is
a parameter (similar to R*K_max) which has to be tested.
One last thing:
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