scf.Hubbard.U on # on|off, default=off scf.DFTU.Type 2 # 1:Simplified(Dudarev)|2:General, default=1

`scf.DFTU.Type=1`

corresponds to the so-called 'simplified rotationally invariant form'
by Dudarev The occupation number operator [20] is specified by the following keyword:

scf.Hubbard.Occupation dual # onsite|full|dual, default=dualAmong three occupation number operators, only the dual operator satisfies a sum rule that the trace of occupation number matrix gives the total number of electrons. For the details of the operators onsite, full, and dual, see Ref. [20].

The and values in eV on each orbital of species defined by

<Definition.of.Atomic.Species Ni Ni6.0S-s2p2d2f1 Ni_CA13S O O5.0-s2p2d1 O_CA13 Definition.of.Atomic.Species>are specified by

<Hubbard.U.values # eV Ni 1s 0.0 2s 0.0 1p 0.0 2p 0.0 1d 5.0 2d 0.0 1f 0.0 O 1s 0.0 2s 0.0 1p 0.0 2p 0.0 1d 0.0 Hubbard.U.values>and

<Hund.J.values # eV Ni 1s 0.0 2s 0.0 1p 0.0 2p 0.0 1d 0.9 2d 0.0 1f 0.0 O 1s 0.0 2s 0.0 1p 0.0 2p 0.0 1d 0.0 Hund.J.values>The beginning of the description must be

`<Hubbard.U.values`

(`<Hund.J.values`

),
and the last of the description must be `Hubbard.U.values>`

(`Hund.J.values>`

) for ().
For all the basis orbitals, you have to give and values in eV as in the above format.
The '1s' and '2s' mean the first and second -orbital, and the number behind '1s' is the
(or ) value for the first -orbital. The same rule is applied to - and -orbitals.
When `scf.DFTU.Type=1`

, only values are read and thus users do not need to specify values.