[Wien] inorb file with multiplicity

[Gary Amini]

Dear all,

Hi!

We want to use DFT+U for a system of 6 atoms, but only apply U to two.
These are equivalent, so in the struct file we have

ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.11574000
          MULT= 2          ISPLIT= 8
             -1: X=0.75000000 Y=0.25000000 Z=0.88426000

for the correlated atoms.
Should the inorb file then be set up for 1 or 2 atoms when they have the
same index?
I.e.,

a)
  1 1 2                          iatom nlorb, lorb

OR

b)
  1 1 2                          iatom nlorb, lorb
  2 1 2                          iatom nlorb, lorb


Which is correct?

Best,
Gary
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