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Revise BAND_NiO_HubbardU documentation #368

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dormrod merged 1 commit into from
Feb 26, 2026
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Revise BAND_NiO_HubbardU documentation #368

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8 changes: 7 additions & 1 deletion doc/source/examples/BAND_NiO_HubbardU.rst
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Expand Up @@ -5,16 +5,22 @@ BAND: NiO with DFT+U

The hubbard method is a way to calculate band gaps for metal oxides for which a normal GGA fails to predict a band gap.

**Example usage:** (:download:`Download BAND_NiO_HubbardU.py <../../../examples/BAND_NiO_HubbardU.py>`)
**Example usage:**

* Download :download:`BAND_NiO_HubbardU.py <../../../examples/BAND_NiO_HubbardU.py>` (run as ``$AMSBIN/amspython BAND_NiO_HubbardU.py``).

.. literalinclude:: ../../../examples/BAND_NiO_HubbardU.py
:language: python

Results
-------

The following results appear upon execution.

.. parsed-literal::

Top of valence band: -6.67 eV
Bottom of conduction band: -5.41 eV
Band gap: 1.25 eV

A folder called ``NiO`` is also created containing other files.
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