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doc for lambda_q and lambda_z
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doc/nep/input_parameters/index.rst

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@@ -28,6 +28,8 @@ Below you can find a listing of keywords for the ``nep.in`` input file.
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lambda_e
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lambda_f
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lambda_v
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lambda_q
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lambda_z
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atomic_v
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lambda_shear
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force_delta
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.. _kw_lambda_q:
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.. index::
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single: lambda_q (keyword in nep.in)
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:attr:`lambda_q`
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================
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This keyword sets the weight :math:`\lambda_q` of the loss term associated with the **total charge** (the charge for a whole structure) in the :ref:`loss function <nep_loss_function>`.
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The syntax is::
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lambda_q <weight>
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Here, :attr:`<weight>` represents :math:`\lambda_q`, which must satisfy :math:`\lambda_q \geq 0` and defaults to :math:`\lambda_f = 0.1`.
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This keyword is only relevant for the qNEP models.
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.. _kw_lambda_z:
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.. index::
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single: lambda_z (keyword in nep.in)
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:attr:`lambda_z`
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================
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This keyword sets the weight :math:`\lambda_z` of the loss term associated with the **Born effective charge** in the :ref:`loss function <nep_loss_function>`.
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The syntax is::
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lambda_z <weight>
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Here, :attr:`<weight>` represents :math:`\lambda_z`, which must satisfy :math:`\lambda_z \geq 0` and defaults to :math:`\lambda_z = 0.1`.
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This keyword is only relevant for the qNEP models.

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