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H-wave Developers committed Nov 30, 2023
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Expand Up @@ -140,6 +140,6 @@ Usage rules

- The translation vectors need to be enclosed within the CellShape. If the range of ``r_x``, ``r_y``, or ``r_z`` exceeds the extent of ``x``, ``y``, or ``z`` dimension of CellShape, the program terminates with an error.

- When ``mode.enable_spin_orbital`` is set to ``true``, the orbital indices of Transfer term are interpreted as the extended orbital indices including spin degree of freedom that ranges from 1 to :math:`2 N_\text{orbital}`. Otherwise, only the entries with the orbital indices from 1 to :math:`N_\text{orbital}` are taken into account.
- When ``mode.enable_spin_orbital`` is set to ``true``, the orbital indices of Transfer term are interpreted as the extended orbital indices including spin degree of freedom that ranges from 1 to :math:`2 N_\text{orbital}`, in which the indices :math:`1 \dots N_\text{orbital}` correspond to spin-up, and the indices :math:`N_\text{orbital}+1 \dots 2N_\text{orbital}` correspond to spin-down. Otherwise, only the entries with the orbital indices from 1 to :math:`N_\text{orbital}` are taken into account.

.. raw:: latex
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Expand Up @@ -48,6 +48,15 @@ Parameters
**Description :**
If ``true``, include the Fock term in the Hamiltonian, otherwise, exclude it (Hartree approximation).

- ``enable_spin_orbital`` (default value is ``false``)

**Type :**
Boolean

**Description :**
This parameter specifies whether to allow spin-orbital interaction.
If it is set to true, the orbital indices in Transfer term are interpreted in the way that they include the orbital index :math:`\alpha` and the spin index :math:`s` by :math:`\alpha + N_\text{orb} \cdot s`.

``mode.param`` section
================================

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Expand Up @@ -136,4 +136,8 @@ Usage rules

- The unspecified elements of the coefficient matrix are assumed to be zero.

- The translation vectors need to be enclosed within the CellShape. If the range of ``r_x``, ``r_y``, or ``r_z`` exceeds the extent of ``x``, ``y``, or ``z`` dimension of CellShape, the program terminates with an error.

- When ``mode.enable_spin_orbital`` is set to ``true``, the orbital indices of Transfer term are interpreted as the extended orbital indices including spin degree of freedom that ranges from 1 to :math:`2 N_\text{orbital}`, in which the indices :math:`1 \dots N_\text{orbital}` correspond to spin-up, and the indices :math:`N_\text{orbital}+1 \dots 2N_\text{orbital}` correspond to spin-down. Otherwise, only the entries with the orbital indices from 1 to :math:`N_\text{orbital}` are taken into account.

.. raw:: latex
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